0 B15R2.2195 C(#Cc1ccccc1)c2ccccc2 271570a_100000069678_100000210277 [0,0,0,0,0,0|4,0,0]=4 1 B15R2.2195 C(#Cc1ccncc1)c2ccccc2 271570a_100000069678_100000035832 [0,0,0,0,0,0|3,0,0]=3 2 B15R2.2195 C(#Cc1ccncn1)c2ccccc2 271570a_100000069678_100000703185 [0,0,0,0,0,0|4,0,0]=4 3 B15R2.2195 C(#Cc1ccnnc1)c2ccccc2 271570a_100000069678_100000732662 [0,0,0,0,0,0|4,0,0]=4 4 B15R2.2195 C(=Cc1ccccc1)c2ccccc2 271570a_100102527694_100000210277 [0,0,0,0,0,0|4,0,0]=4 5 B15R2.2195 C(=Cc1cccnc1)c2ccncc2 271570a_100102525586_100000035832 [0,0,0,0,0,0|4,0,0]=4 6 B15R2.2195 C(=Cc1ccncc1)c2ccccc2 271570a_100102527694_100000035832 [0,0,0,0,0,0|3,0,0]=3 7 B15R2.2195 C(=Cc1ccncn1)c2ccccc2 271570a_100102527694_100000703185 [0,0,0,0,0,0|4,0,0]=4 8 B15R2.2195 C(=Cc1ccnnc1)c2ccccc2 271570a_100102527694_100000732662 [0,0,0,0,0,0|4,0,0]=4 9 B15R2.2195 c1cc(ccn1)CNc2ccncn2 27a_100000210450_100000703185 [0,0,0,0,0,0|3,0,0]=3 10 B15R2.2195 c1cc(ccn1)CSc2ccncc2 62a_100000728582_100015193705 [0,0,0,0,0,0|1,0,0]=1 11 B15R2.2195 c1cc(ccn1)CSc2ccncc2 62a_100015193705_100000728582 [0,0,0,0,0,0|1,0,0]=1 12 B15R2.2195 c1cc(ccn1)CSc2ccncn2 62a_100000703185_100015193705 [0,0,0,0,0,0|2,0,0]=2 13 B15R2.2195 c1cc(ccn1)CSc2ccncn2 62a_100015193705_100000703185 [0,0,0,0,0,0|2,0,0]=2 14 B15R2.2195 c1cc(ccn1)CSc2ccnnc2 62a_100000732662_100015193705 [0,0,0,0,0,0|2,0,0]=2 15 B15R2.2195 c1cc(ccn1)CSc2ccnnc2 62a_100015193705_100000732662 [0,0,0,0,0,0|2,0,0]=2 16 B15R2.2195 c1cc(ccn1)CSc2cnccn2 62a_100000211759_100015193705 [0,0,0,0,0,0|4,0,0]=4 17 B15R2.2195 c1cc(ccn1)CSc2cnccn2 62a_100015193705_100000211759 [0,0,0,0,0,0|4,0,0]=4 18 B15R2.2195 c1cc(ccn1)CSc2cncnc2 62a_100011206942_100015193705 [0,0,0,0,0,0|4,0,0]=4 19 B15R2.2195 c1cc(ccn1)CSc2cncnc2 62a_100015193705_100011206942 [0,0,0,0,0,0|4,0,0]=4 20 B15R2.2195 c1cc(ccn1)CSc2cnnnc2 62a_100009846058_100015193705 [0,0,0,0,0,0|3,0,0]=3 21 B15R2.2195 c1cc(ccn1)CSc2cnnnc2 62a_100015193705_100009846058 [0,0,0,0,0,0|3,0,0]=3 22 B15R2.2195 c1cc(ccn1)SCc2cnccn2 62a_100000728582_100016995436 [0,0,0,0,0,0|4,0,0]=4 23 B15R2.2195 c1cc(ccn1)SCc2cnccn2 62a_100016995436_100000728582 [0,0,0,0,0,0|4,0,0]=4 24 B15R2.2195 c1cc(ccn1)SCc2cncnc2 62a_100000728582_100015196519 [0,0,0,0,0,0|4,0,0]=4 25 B15R2.2195 c1cc(ccn1)SCc2cncnc2 62a_100015196519_100000728582 [0,0,0,0,0,0|4,0,0]=4 26 B15R2.2195 c1cc(ncn1)CNc2ccncn2 27a_100000736019_100000703185 [0,0,0,0,0,0|4,0,0]=4 27 B15R2.2195 c1ccc(cc1)CNc2ccccc2 207a_100000106764_100015611070 [0,0,0,0,0,0|4,0,0]=4 28 B15R2.2195 c1ccc(cc1)CNc2ccccc2 270302a_100000106764_100015611070 [0,0,0,0,0,0|4,0,0]=4 29 B15R2.2195 c1ccc(cc1)CNc2ccccc2 34a_100000106764_100015291786 [0,0,0,0,0,0|4,0,0]=4 30 B15R2.2195 c1ccc(cc1)CNc2ccncn2 27a_100015324214_100000703185 [0,0,0,0,0,0|4,0,0]=4 31 B15R2.2195 c1ccc(cc1)COc2ccccc2 34a_100000210340_100015291786 [0,0,0,0,0,0|3,1,0]=4 32 B15R2.2195 c1ccc(cc1)COc2ccccc2 7a_100000210340_100000211182 [0,0,0,0,0,0|3,1,0]=4 33 B15R2.2195 c1ccc(cc1)COc2ccncc2 34a_100000212176_100015291786 [0,0,0,0,0,0|2,1,0]=3 34 B15R2.2195 c1ccc(cc1)COc2ccnnc2 34a_100015204005_100015291786 [0,0,0,0,0,0|3,1,0]=4 35 B15R2.2195 c1ccc(cc1)CSc2ccccc2 62a_100000211182_100000041952 [0,0,0,0,0,0|3,0,0]=3 36 B15R2.2195 c1ccc(cc1)CSc2ccccc2 62a_100000719477_100015291786 [0,0,0,0,0,0|3,0,0]=3 37 B15R2.2195 c1ccc(cc1)CSc2ccccn2 62a_100000211182_100011216584 [0,0,0,0,0,0|4,0,0]=4 38 B15R2.2195 c1ccc(cc1)CSc2ccccn2 62a_100011216584_100015291786 [0,0,0,0,0,0|4,0,0]=4 39 B15R2.2195 c1ccc(cc1)CSc2cccnc2 62a_100000210063_100015291786 [0,0,0,0,0,0|4,0,0]=4 40 B15R2.2195 c1ccc(cc1)CSc2cccnc2 62a_100000211182_100000210063 [0,0,0,0,0,0|4,0,0]=4 41 B15R2.2195 c1ccc(cc1)CSc2ccncc2 62a_100000211182_100000728582 [0,0,0,0,0,0|2,0,0]=2 42 B15R2.2195 c1ccc(cc1)CSc2ccncc2 62a_100000728582_100015291786 [0,0,0,0,0,0|2,0,0]=2 43 B15R2.2195 c1ccc(cc1)CSc2ccncn2 62a_100000211182_100000703185 [0,0,0,0,0,0|3,0,0]=3 44 B15R2.2195 c1ccc(cc1)CSc2ccncn2 62a_100000703185_100015291786 [0,0,0,0,0,0|3,0,0]=3 45 B15R2.2195 c1ccc(cc1)CSc2ccnnc2 62a_100000211182_100000732662 [0,0,0,0,0,0|3,0,0]=3 46 B15R2.2195 c1ccc(cc1)CSc2ccnnc2 62a_100000732662_100015291786 [0,0,0,0,0,0|3,0,0]=3 47 B15R2.2195 c1ccc(cc1)CSc2cnnnc2 62a_100000211182_100009846058 [0,0,0,0,0,0|4,0,0]=4 48 B15R2.2195 c1ccc(cc1)CSc2cnnnc2 62a_100009846058_100015291786 [0,0,0,0,0,0|4,0,0]=4 49 B15R2.2195 c1ccc(cc1)NCc2ccncc2 207a_100000106764_100000186114 [0,0,0,0,0,0|3,0,0]=3 50 B15R2.2195 c1ccc(cc1)NCc2ccnnc2 270302a_100000106764_100011934578 [0,0,0,0,0,0|4,0,0]=4 51 B15R2.2195 c1ccc(cc1)OCc2ccncc2 7a_100000210340_100015193705 [0,0,0,0,0,0|2,1,0]=3 52 B15R2.2195 c1ccc(cc1)SCc2ccccn2 62a_100000719477_100000721315 [0,0,0,0,0,0|4,0,0]=4 53 B15R2.2195 c1ccc(cc1)SCc2ccccn2 62a_100000721315_100000041952 [0,0,0,0,0,0|4,0,0]=4 54 B15R2.2195 c1ccc(cc1)SCc2cccnc2 62a_100000719477_100000741622 [0,0,0,0,0,0|4,0,0]=4 55 B15R2.2195 c1ccc(cc1)SCc2cccnc2 62a_100000741622_100000041952 [0,0,0,0,0,0|4,0,0]=4 56 B15R2.2195 c1ccc(cc1)SCc2ccncc2 62a_100000719477_100015193705 [0,0,0,0,0,0|2,0,0]=2 57 B15R2.2195 c1ccc(cc1)SCc2ccncc2 62a_100015193705_100000041952 [0,0,0,0,0,0|2,0,0]=2 58 B15R2.2195 c1ccc(nc1)COc2ccncc2 34a_100000212176_100000721315 [0,0,0,0,0,0|3,1,0]=4 59 B15R2.2195 c1ccc(nc1)CSc2ccncc2 62a_100000721315_100000728582 [0,0,0,0,0,0|3,0,0]=3 60 B15R2.2195 c1ccc(nc1)CSc2ccncc2 62a_100000728582_100000721315 [0,0,0,0,0,0|3,0,0]=3 61 B15R2.2195 c1ccc(nc1)CSc2ccncn2 62a_100000703185_100000721315 [0,0,0,0,0,0|4,0,0]=4 62 B15R2.2195 c1ccc(nc1)CSc2ccncn2 62a_100000721315_100000703185 [0,0,0,0,0,0|4,0,0]=4 63 B15R2.2195 c1ccc(nc1)CSc2ccnnc2 62a_100000721315_100000732662 [0,0,0,0,0,0|4,0,0]=4 64 B15R2.2195 c1ccc(nc1)CSc2ccnnc2 62a_100000732662_100000721315 [0,0,0,0,0,0|4,0,0]=4 65 B15R2.2195 c1ccc(nc1)SCc2ccncc2 62a_100011216584_100015193705 [0,0,0,0,0,0|3,0,0]=3 66 B15R2.2195 c1ccc(nc1)SCc2ccncc2 62a_100015193705_100011216584 [0,0,0,0,0,0|3,0,0]=3 67 B15R2.2195 c1cnc(nc1)CSc2ccncc2 62a_100000703007_100000728582 [0,0,0,0,0,0|4,0,0]=4 68 B15R2.2195 c1cnc(nc1)CSc2ccncc2 62a_100000728582_100000703007 [0,0,0,0,0,0|4,0,0]=4 69 B15R2.2195 c1cnc(nc1)SCc2ccncc2 62a_100000211032_100015193705 [0,0,0,0,0,0|4,0,0]=4 70 B15R2.2195 c1cnc(nc1)SCc2ccncc2 62a_100015193705_100000211032 [0,0,0,0,0,0|4,0,0]=4 71 B15R2.2195 c1cncc(c1)COc2ccncc2 34a_100000212176_100000733263 [0,0,0,0,0,0|3,1,0]=4 72 B15R2.2195 c1cncc(c1)CSc2ccncc2 62a_100000728582_100000741622 [0,0,0,0,0,0|3,0,0]=3 73 B15R2.2195 c1cncc(c1)CSc2ccncc2 62a_100000741622_100000728582 [0,0,0,0,0,0|3,0,0]=3 74 B15R2.2195 c1cncc(c1)CSc2ccncn2 62a_100000703185_100000741622 [0,0,0,0,0,0|4,0,0]=4 75 B15R2.2195 c1cncc(c1)CSc2ccncn2 62a_100000741622_100000703185 [0,0,0,0,0,0|4,0,0]=4 76 B15R2.2195 c1cncc(c1)CSc2ccnnc2 62a_100000732662_100000741622 [0,0,0,0,0,0|4,0,0]=4 77 B15R2.2195 c1cncc(c1)CSc2ccnnc2 62a_100000741622_100000732662 [0,0,0,0,0,0|4,0,0]=4 78 B15R2.2195 c1cncc(c1)OCc2ccncc2 7a_100000210849_100015193705 [0,0,0,0,0,0|3,1,0]=4 79 B15R2.2195 c1cncc(c1)SCc2ccncc2 62a_100000210063_100015193705 [0,0,0,0,0,0|3,0,0]=3 80 B15R2.2195 c1cncc(c1)SCc2ccncc2 62a_100015193705_100000210063 [0,0,0,0,0,0|3,0,0]=3 81 B15R2.2195 c1cnnc(c1)CSc2ccncc2 62a_100000728582_100016990269 [0,0,0,0,0,0|4,0,0]=4 82 B15R2.2195 c1cnnc(c1)CSc2ccncc2 62a_100016990269_100000728582 [0,0,0,0,0,0|4,0,0]=4 83 B15R2.2195 c1cnnc(c1)SCc2ccncc2 62a_100015193705_100016991348 [0,0,0,0,0,0|4,0,0]=4 84 B15R2.2195 c1cnnc(c1)SCc2ccncc2 62a_100016991348_100015193705 [0,0,0,0,0,0|4,0,0]=4 85 B16R2.71 Brc1ccccc1COc2ccncc2 34a_100000212176_100000184730 [0,1,0,0,0,0|2,1,0]=4 86 B16R2.71 Brc1ccccc1CSc2ccccc2 62a_100000184730_100000041952 [0,1,0,0,0,0|3,0,0]=4 87 B16R2.71 Brc1ccccc1CSc2ccccc2 62a_100000719477_100000184730 [0,1,0,0,0,0|3,0,0]=4 88 B16R2.71 Brc1ccccc1CSc2ccncc2 62a_100000184730_100000728582 [0,1,0,0,0,0|2,0,0]=3 89 B16R2.71 Brc1ccccc1CSc2ccncc2 62a_100000728582_100000184730 [0,1,0,0,0,0|2,0,0]=3 90 B16R2.71 Brc1ccccc1CSc2ccncn2 62a_100000184730_100000703185 [0,1,0,0,0,0|3,0,0]=4 91 B16R2.71 Brc1ccccc1CSc2ccncn2 62a_100000703185_100000184730 [0,1,0,0,0,0|3,0,0]=4 92 B16R2.71 Brc1ccccc1CSc2ccnnc2 62a_100000184730_100000732662 [0,1,0,0,0,0|3,0,0]=4 93 B16R2.71 Brc1ccccc1CSc2ccnnc2 62a_100000732662_100000184730 [0,1,0,0,0,0|3,0,0]=4 94 B16R2.71 Brc1ccccc1NCc2ccncc2 207a_100000210017_100000186114 [0,1,0,0,0,0|3,0,0]=4 95 B16R2.71 Brc1ccccc1OCc2ccncc2 7a_100000181306_100015193705 [0,1,0,0,0,0|2,1,0]=4 96 B16R2.71 Brc1ccccc1SCc2ccccc2 62a_100000211182_100000695589 [0,1,0,0,0,0|3,0,0]=4 97 B16R2.71 Brc1ccccc1SCc2ccccc2 62a_100000695589_100015291786 [0,1,0,0,0,0|3,0,0]=4 98 B16R2.71 Brc1ccccc1SCc2ccncc2 62a_100000695589_100015193705 [0,1,0,0,0,0|2,0,0]=3 99 B16R2.71 Brc1ccccc1SCc2ccncc2 62a_100015193705_100000695589 [0,1,0,0,0,0|2,0,0]=3 100 B16R2.71 Brc1cccnc1CSc2ccncc2 62a_100000728582_100025702911 [0,1,0,0,0,0|3,0,0]=4 101 B16R2.71 Brc1cccnc1CSc2ccncc2 62a_100025702911_100000728582 [0,1,0,0,0,0|3,0,0]=4 102 B16R2.71 Brc1cccnc1SCc2ccncc2 62a_100000696092_100015193705 [0,1,0,0,0,0|3,0,0]=4 103 B16R2.71 Brc1cccnc1SCc2ccncc2 62a_100015193705_100000696092 [0,1,0,0,0,0|3,0,0]=4 104 B16R2.71 Brc1ccncc1SCc2ccncc2 62a_100010138639_100015193705 [0,1,0,0,0,0|3,0,0]=4 105 B16R2.71 Brc1ccncc1SCc2ccncc2 62a_100015193705_100010138639 [0,1,0,0,0,0|3,0,0]=4 106 B16R2.71 Brc1cnccc1C#Cc2ccccc2 271570a_100000069678_100000726257 [0,1,0,0,0,0|3,0,0]=4 107 B16R2.71 Brc1cnccc1C=Cc2ccccc2 271570a_100102527694_100000726257 [0,1,0,0,0,0|3,0,0]=4 108 B16R2.71 Brc1cnccc1CNc2ccncn2 27a_100020640021_100000703185 [0,1,0,0,0,0|3,0,0]=4 109 B16R2.71 Brc1cnccc1NCc2ccccc2 27a_100015324214_100000726257 [0,1,0,0,0,0|3,0,0]=4 110 B16R2.71 Brc1cnccc1NCc2ccncc2 27a_100000210450_100000726257 [0,1,0,0,0,0|2,0,0]=3 111 B16R2.71 Brc1cnccc1NCc2ccncn2 27a_100000736019_100000726257 [0,1,0,0,0,0|3,0,0]=4 112 B16R2.71 Brc1cnccc1OCc2ccccc2 34a_100011996408_100015291786 [0,1,0,0,0,0|2,1,0]=4 113 B16R2.71 Brc1cnccc1SCc2ccccc2 62a_100000211182_100000726257 [0,1,0,0,0,0|2,0,0]=3 114 B16R2.71 Brc1cnccc1SCc2ccccc2 62a_100000726257_100015291786 [0,1,0,0,0,0|2,0,0]=3 115 B16R2.71 Brc1cnccc1SCc2ccccn2 62a_100000721315_100000726257 [0,1,0,0,0,0|3,0,0]=4 116 B16R2.71 Brc1cnccc1SCc2ccccn2 62a_100000726257_100000721315 [0,1,0,0,0,0|3,0,0]=4 117 B16R2.71 Brc1cnccc1SCc2cccnc2 62a_100000726257_100000741622 [0,1,0,0,0,0|3,0,0]=4 118 B16R2.71 Brc1cnccc1SCc2cccnc2 62a_100000741622_100000726257 [0,1,0,0,0,0|3,0,0]=4 119 B16R2.71 Brc1cnccc1SCc2ccncc2 62a_100000726257_100015193705 [0,1,0,0,0,0|1,0,0]=2 120 B16R2.71 Brc1cnccc1SCc2ccncc2 62a_100015193705_100000726257 [0,1,0,0,0,0|1,0,0]=2 121 B16R2.71 Brc1ncccc1CSc2ccncc2 62a_100000728582_100010140945 [0,1,0,0,0,0|3,0,0]=4 122 B16R2.71 Brc1ncccc1CSc2ccncc2 62a_100010140945_100000728582 [0,1,0,0,0,0|3,0,0]=4 123 B16R2.71 Brc1ncccc1SCc2ccncc2 62a_100010202626_100015193705 [0,1,0,0,0,0|3,0,0]=4 124 B16R2.71 Brc1ncccc1SCc2ccncc2 62a_100015193705_100010202626 [0,1,0,0,0,0|3,0,0]=4 125 B16R2.71 C[n+]1ccccc1SCc2ccncc2 62a_100015193705_100000212160 [0,1,0,0,0,0|3,0,0]=4 126 B16R2.71 Cc1ccccc1COc2ccncc2 34a_100000212176_100000211839 [0,1,0,0,0,0|2,1,0]=4 127 B16R2.71 Cc1ccccc1CSc2ccccc2 62a_100000211839_100000041952 [0,1,0,0,0,0|3,0,0]=4 128 B16R2.71 Cc1ccccc1CSc2ccccc2 62a_100000719477_100000211839 [0,1,0,0,0,0|3,0,0]=4 129 B16R2.71 Cc1ccccc1CSc2ccncc2 62a_100000211839_100000728582 [0,1,0,0,0,0|2,0,0]=3 130 B16R2.71 Cc1ccccc1CSc2ccncc2 62a_100000728582_100000211839 [0,1,0,0,0,0|2,0,0]=3 131 B16R2.71 Cc1ccccc1CSc2ccncn2 62a_100000211839_100000703185 [0,1,0,0,0,0|3,0,0]=4 132 B16R2.71 Cc1ccccc1CSc2ccncn2 62a_100000703185_100000211839 [0,1,0,0,0,0|3,0,0]=4 133 B16R2.71 Cc1ccccc1CSc2ccnnc2 62a_100000211839_100000732662 [0,1,0,0,0,0|3,0,0]=4 134 B16R2.71 Cc1ccccc1CSc2ccnnc2 62a_100000732662_100000211839 [0,1,0,0,0,0|3,0,0]=4 135 B16R2.71 Cc1ccccc1NCc2ccncc2 207a_100015192222_100000186114 [0,1,0,0,0,0|3,0,0]=4 136 B16R2.71 Cc1ccccc1OCc2ccncc2 7a_100000210338_100015193705 [0,1,0,0,0,0|2,1,0]=4 137 B16R2.71 Cc1ccccc1SCc2ccccc2 62a_100000210755_100015291786 [0,1,0,0,0,0|3,0,0]=4 138 B16R2.71 Cc1ccccc1SCc2ccccc2 62a_100000211182_100000210755 [0,1,0,0,0,0|3,0,0]=4 139 B16R2.71 Cc1ccccc1SCc2ccncc2 62a_100000210755_100015193705 [0,1,0,0,0,0|2,0,0]=3 140 B16R2.71 Cc1ccccc1SCc2ccncc2 62a_100015193705_100000210755 [0,1,0,0,0,0|2,0,0]=3 141 B16R2.71 Cc1cccnc1CSc2ccncc2 62a_100000696600_100000728582 [0,1,0,0,0,0|3,0,0]=4 142 B16R2.71 Cc1cccnc1CSc2ccncc2 62a_100000728582_100000696600 [0,1,0,0,0,0|3,0,0]=4 143 B16R2.71 Cc1cccnc1SCc2ccncc2 62a_100000751373_100015193705 [0,1,0,0,0,0|3,0,0]=4 144 B16R2.71 Cc1cccnc1SCc2ccncc2 62a_100015193705_100000751373 [0,1,0,0,0,0|3,0,0]=4 145 B16R2.71 Cc1ccncc1CSc2ccncc2 62a_100000690890_100000728582 [0,1,0,0,0,0|3,0,0]=4 146 B16R2.71 Cc1ccncc1CSc2ccncc2 62a_100000728582_100000690890 [0,1,0,0,0,0|3,0,0]=4 147 B16R2.71 Cc1ccncc1SCc2ccncc2 62a_100000761580_100015193705 [0,1,0,0,0,0|3,0,0]=4 148 B16R2.71 Cc1ccncc1SCc2ccncc2 62a_100015193705_100000761580 [0,1,0,0,0,0|3,0,0]=4 149 B16R2.71 Cc1cnccc1C#Cc2ccccc2 271570a_100000069678_100015191297 [0,1,0,0,0,0|3,0,0]=4 150 B16R2.71 Cc1cnccc1C=Cc2ccccc2 271570a_100102527694_100015191297 [0,1,0,0,0,0|3,0,0]=4 151 B16R2.71 Cc1cnccc1CNc2ccccc2 34a_100000106764_100020672809 [0,1,0,0,0,0|3,0,0]=4 152 B16R2.71 Cc1cnccc1CNc2ccncn2 27a_100000708811_100000703185 [0,1,0,0,0,0|3,0,0]=4 153 B16R2.71 Cc1cnccc1COc2ccccc2 34a_100000210340_100020672809 [0,1,0,0,0,0|2,1,0]=4 154 B16R2.71 Cc1cnccc1COc2ccccc2 7a_100000210340_100020672808 [0,1,0,0,0,0|2,1,0]=4 155 B16R2.71 Cc1cnccc1COc2ccncc2 34a_100000212176_100020672809 [0,1,0,0,0,0|1,1,0]=3 156 B16R2.71 Cc1cnccc1COc2ccnnc2 34a_100015204005_100020672809 [0,1,0,0,0,0|2,1,0]=4 157 B16R2.71 Cc1cnccc1CSc2ccccc2 62a_100000719477_100020672808 [0,1,0,0,0,0|2,0,0]=3 158 B16R2.71 Cc1cnccc1CSc2ccccc2 62a_100020672808_100000041952 [0,1,0,0,0,0|2,0,0]=3 159 B16R2.71 Cc1cnccc1CSc2ccccn2 62a_100011216584_100020672808 [0,1,0,0,0,0|3,0,0]=4 160 B16R2.71 Cc1cnccc1CSc2ccccn2 62a_100020672808_100011216584 [0,1,0,0,0,0|3,0,0]=4 161 B16R2.71 Cc1cnccc1CSc2cccnc2 62a_100000210063_100020672808 [0,1,0,0,0,0|3,0,0]=4 162 B16R2.71 Cc1cnccc1CSc2cccnc2 62a_100020672808_100000210063 [0,1,0,0,0,0|3,0,0]=4 163 B16R2.71 Cc1cnccc1CSc2ccncc2 62a_100000728582_100020672808 [0,1,0,0,0,0|1,0,0]=2 164 B16R2.71 Cc1cnccc1CSc2ccncc2 62a_100020672808_100000728582 [0,1,0,0,0,0|1,0,0]=2 165 B16R2.71 Cc1cnccc1CSc2ccncn2 62a_100000703185_100020672808 [0,1,0,0,0,0|2,0,0]=3 166 B16R2.71 Cc1cnccc1CSc2ccncn2 62a_100020672808_100000703185 [0,1,0,0,0,0|2,0,0]=3 167 B16R2.71 Cc1cnccc1CSc2ccnnc2 62a_100000732662_100020672808 [0,1,0,0,0,0|2,0,0]=3 168 B16R2.71 Cc1cnccc1CSc2ccnnc2 62a_100020672808_100000732662 [0,1,0,0,0,0|2,0,0]=3 169 B16R2.71 Cc1cnccc1CSc2cnnnc2 62a_100009846058_100020672808 [0,1,0,0,0,0|3,0,0]=4 170 B16R2.71 Cc1cnccc1CSc2cnnnc2 62a_100020672808_100009846058 [0,1,0,0,0,0|3,0,0]=4 171 B16R2.71 Cc1cnccc1NCc2ccccc2 27a_100015324214_100000765111 [0,1,0,0,0,0|3,0,0]=4 172 B16R2.71 Cc1cnccc1NCc2ccncc2 27a_100000210450_100000765111 [0,1,0,0,0,0|2,0,0]=3 173 B16R2.71 Cc1cnccc1NCc2ccncn2 27a_100000736019_100000765111 [0,1,0,0,0,0|3,0,0]=4 174 B16R2.71 Cc1cnccc1OCc2ccccc2 34a_100000694293_100015291786 [0,1,0,0,0,0|2,1,0]=4 175 B16R2.71 Cc1cnccc1SCc2ccccc2 62a_100000211182_100000765111 [0,1,0,0,0,0|2,0,0]=3 176 B16R2.71 Cc1cnccc1SCc2ccccc2 62a_100000765111_100015291786 [0,1,0,0,0,0|2,0,0]=3 177 B16R2.71 Cc1cnccc1SCc2ccccn2 62a_100000721315_100000765111 [0,1,0,0,0,0|3,0,0]=4 178 B16R2.71 Cc1cnccc1SCc2ccccn2 62a_100000765111_100000721315 [0,1,0,0,0,0|3,0,0]=4 179 B16R2.71 Cc1cnccc1SCc2cccnc2 62a_100000741622_100000765111 [0,1,0,0,0,0|3,0,0]=4 180 B16R2.71 Cc1cnccc1SCc2cccnc2 62a_100000765111_100000741622 [0,1,0,0,0,0|3,0,0]=4 181 B16R2.71 Cc1cnccc1SCc2ccncc2 62a_100000765111_100015193705 [0,1,0,0,0,0|1,0,0]=2 182 B16R2.71 Cc1cnccc1SCc2ccncc2 62a_100015193705_100000765111 [0,1,0,0,0,0|1,0,0]=2 183 B16R2.71 Cc1cncnc1NCc2ccncc2 27a_100000210450_100011998708 [0,1,0,0,0,0|3,0,0]=4 184 B16R2.71 Cc1cncnc1SCc2ccccc2 62a_100000211182_100011998708 [0,1,0,0,0,0|3,0,0]=4 185 B16R2.71 Cc1cncnc1SCc2ccccc2 62a_100011998708_100015291786 [0,1,0,0,0,0|3,0,0]=4 186 B16R2.71 Cc1cncnc1SCc2ccncc2 62a_100011998708_100015193705 [0,1,0,0,0,0|2,0,0]=3 187 B16R2.71 Cc1cncnc1SCc2ccncc2 62a_100015193705_100011998708 [0,1,0,0,0,0|2,0,0]=3 188 B16R2.71 Cc1ncccc1CSc2ccncc2 62a_100000728582_100000732876 [0,1,0,0,0,0|3,0,0]=4 189 B16R2.71 Cc1ncccc1CSc2ccncc2 62a_100000732876_100000728582 [0,1,0,0,0,0|3,0,0]=4 190 B16R2.71 Cc1ncccc1SCc2ccncc2 62a_100000751574_100015193705 [0,1,0,0,0,0|3,0,0]=4 191 B16R2.71 Cc1ncccc1SCc2ccncc2 62a_100015193705_100000751574 [0,1,0,0,0,0|3,0,0]=4 192 B16R2.71 Clc1ccccc1COc2ccncc2 34a_100000212176_100000187162 [0,1,0,0,0,0|2,1,0]=4 193 B16R2.71 Clc1ccccc1CSc2ccccc2 62a_100000187162_100000041952 [0,1,0,0,0,0|3,0,0]=4 194 B16R2.71 Clc1ccccc1CSc2ccccc2 62a_100000719477_100000187162 [0,1,0,0,0,0|3,0,0]=4 195 B16R2.71 Clc1ccccc1CSc2ccncc2 62a_100000187162_100000728582 [0,1,0,0,0,0|2,0,0]=3 196 B16R2.71 Clc1ccccc1CSc2ccncc2 62a_100000728582_100000187162 [0,1,0,0,0,0|2,0,0]=3 197 B16R2.71 Clc1ccccc1CSc2ccncn2 62a_100000187162_100000703185 [0,1,0,0,0,0|3,0,0]=4 198 B16R2.71 Clc1ccccc1CSc2ccncn2 62a_100000703185_100000187162 [0,1,0,0,0,0|3,0,0]=4 199 B16R2.71 Clc1ccccc1CSc2ccnnc2 62a_100000187162_100000732662 [0,1,0,0,0,0|3,0,0]=4 200 B16R2.71 Clc1ccccc1CSc2ccnnc2 62a_100000732662_100000187162 [0,1,0,0,0,0|3,0,0]=4 201 B16R2.71 Clc1ccccc1NCc2ccncc2 207a_100000185783_100000186114 [0,1,0,0,0,0|3,0,0]=4 202 B16R2.71 Clc1ccccc1OCc2ccncc2 7a_100000210172_100015193705 [0,1,0,0,0,0|2,1,0]=4 203 B16R2.71 Clc1ccccc1SCc2ccccc2 62a_100000211182_100000764095 [0,1,0,0,0,0|3,0,0]=4 204 B16R2.71 Clc1ccccc1SCc2ccccc2 62a_100000764095_100015291786 [0,1,0,0,0,0|3,0,0]=4 205 B16R2.71 Clc1ccccc1SCc2ccncc2 62a_100000764095_100015193705 [0,1,0,0,0,0|2,0,0]=3 206 B16R2.71 Clc1ccccc1SCc2ccncc2 62a_100015193705_100000764095 [0,1,0,0,0,0|2,0,0]=3 207 B16R2.71 Clc1cccnc1CSc2ccncc2 62a_100000099807_100000728582 [0,1,0,0,0,0|3,0,0]=4 208 B16R2.71 Clc1cccnc1CSc2ccncc2 62a_100000728582_100000099807 [0,1,0,0,0,0|3,0,0]=4 209 B16R2.71 Clc1cccnc1SCc2ccncc2 62a_100011356963_100015193705 [0,1,0,0,0,0|3,0,0]=4 210 B16R2.71 Clc1cccnc1SCc2ccncc2 62a_100015193705_100011356963 [0,1,0,0,0,0|3,0,0]=4 211 B16R2.71 Clc1ccncc1SCc2ccncc2 62a_100009995489_100015193705 [0,1,0,0,0,0|3,0,0]=4 212 B16R2.71 Clc1ccncc1SCc2ccncc2 62a_100015193705_100009995489 [0,1,0,0,0,0|3,0,0]=4 213 B16R2.71 Clc1cnccc1C#Cc2ccccc2 271570a_100000069678_100000708259 [0,1,0,0,0,0|3,0,0]=4 214 B16R2.71 Clc1cnccc1C=Cc2ccccc2 271570a_100102527694_100000708259 [0,1,0,0,0,0|3,0,0]=4 215 B16R2.71 Clc1cnccc1CNc2ccccc2 207a_100000106764_100011934409 [0,1,0,0,0,0|3,0,0]=4 216 B16R2.71 Clc1cnccc1COc2ccccc2 7a_100000210340_100000763264 [0,1,0,0,0,0|2,1,0]=4 217 B16R2.71 Clc1cnccc1CSc2ccccc2 62a_100000719477_100000763264 [0,1,0,0,0,0|2,0,0]=3 218 B16R2.71 Clc1cnccc1CSc2ccccc2 62a_100000763264_100000041952 [0,1,0,0,0,0|2,0,0]=3 219 B16R2.71 Clc1cnccc1CSc2ccccn2 62a_100000763264_100011216584 [0,1,0,0,0,0|3,0,0]=4 220 B16R2.71 Clc1cnccc1CSc2ccccn2 62a_100011216584_100000763264 [0,1,0,0,0,0|3,0,0]=4 221 B16R2.71 Clc1cnccc1CSc2cccnc2 62a_100000210063_100000763264 [0,1,0,0,0,0|3,0,0]=4 222 B16R2.71 Clc1cnccc1CSc2cccnc2 62a_100000763264_100000210063 [0,1,0,0,0,0|3,0,0]=4 223 B16R2.71 Clc1cnccc1CSc2ccncc2 62a_100000728582_100000763264 [0,1,0,0,0,0|1,0,0]=2 224 B16R2.71 Clc1cnccc1CSc2ccncc2 62a_100000763264_100000728582 [0,1,0,0,0,0|1,0,0]=2 225 B16R2.71 Clc1cnccc1CSc2ccncn2 62a_100000703185_100000763264 [0,1,0,0,0,0|2,0,0]=3 226 B16R2.71 Clc1cnccc1CSc2ccncn2 62a_100000763264_100000703185 [0,1,0,0,0,0|2,0,0]=3 227 B16R2.71 Clc1cnccc1CSc2ccnnc2 62a_100000732662_100000763264 [0,1,0,0,0,0|2,0,0]=3 228 B16R2.71 Clc1cnccc1CSc2ccnnc2 62a_100000763264_100000732662 [0,1,0,0,0,0|2,0,0]=3 229 B16R2.71 Clc1cnccc1CSc2cnnnc2 62a_100000763264_100009846058 [0,1,0,0,0,0|3,0,0]=4 230 B16R2.71 Clc1cnccc1CSc2cnnnc2 62a_100009846058_100000763264 [0,1,0,0,0,0|3,0,0]=4 231 B16R2.71 Clc1cnccc1OCc2ccccc2 34a_100011997054_100015291786 [0,1,0,0,0,0|2,1,0]=4 232 B16R2.71 Clc1cnccc1SCc2ccccc2 62a_100000211182_100000708259 [0,1,0,0,0,0|2,0,0]=3 233 B16R2.71 Clc1cnccc1SCc2ccccc2 62a_100000708259_100015291786 [0,1,0,0,0,0|2,0,0]=3 234 B16R2.71 Clc1cnccc1SCc2ccccn2 62a_100000708259_100000721315 [0,1,0,0,0,0|3,0,0]=4 235 B16R2.71 Clc1cnccc1SCc2ccccn2 62a_100000721315_100000708259 [0,1,0,0,0,0|3,0,0]=4 236 B16R2.71 Clc1cnccc1SCc2cccnc2 62a_100000708259_100000741622 [0,1,0,0,0,0|3,0,0]=4 237 B16R2.71 Clc1cnccc1SCc2cccnc2 62a_100000741622_100000708259 [0,1,0,0,0,0|3,0,0]=4 238 B16R2.71 Clc1cnccc1SCc2ccncc2 62a_100000708259_100015193705 [0,1,0,0,0,0|1,0,0]=2 239 B16R2.71 Clc1cnccc1SCc2ccncc2 62a_100015193705_100000708259 [0,1,0,0,0,0|1,0,0]=2 240 B16R2.71 Clc1ncccc1CSc2ccncc2 62a_100000045678_100000728582 [0,1,0,0,0,0|3,0,0]=4 241 B16R2.71 Clc1ncccc1CSc2ccncc2 62a_100000728582_100000045678 [0,1,0,0,0,0|3,0,0]=4 242 B16R2.71 Clc1ncccc1SCc2ccncc2 62a_100000036424_100015193705 [0,1,0,0,0,0|3,0,0]=4 243 B16R2.71 Clc1ncccc1SCc2ccncc2 62a_100015193705_100000036424 [0,1,0,0,0,0|3,0,0]=4 244 B16R2.71 Fc1ccccc1C=Cc2ccncc2 271570a_200102527919_100000035832 [0,1,0,0,0,0|3,0,0]=4 245 B16R2.71 Fc1ccccc1COc2ccncc2 34a_100000212176_100000211605 [0,1,0,0,0,0|2,1,0]=4 246 B16R2.71 Fc1ccccc1CSc2ccccc2 62a_100000211605_100000041952 [0,1,0,0,0,0|3,0,0]=4 247 B16R2.71 Fc1ccccc1CSc2ccccc2 62a_100000719477_100000211605 [0,1,0,0,0,0|3,0,0]=4 248 B16R2.71 Fc1ccccc1CSc2ccncc2 62a_100000211605_100000728582 [0,1,0,0,0,0|2,0,0]=3 249 B16R2.71 Fc1ccccc1CSc2ccncc2 62a_100000728582_100000211605 [0,1,0,0,0,0|2,0,0]=3 250 B16R2.71 Fc1ccccc1CSc2ccncn2 62a_100000211605_100000703185 [0,1,0,0,0,0|3,0,0]=4 251 B16R2.71 Fc1ccccc1CSc2ccncn2 62a_100000703185_100000211605 [0,1,0,0,0,0|3,0,0]=4 252 B16R2.71 Fc1ccccc1CSc2ccnnc2 62a_100000211605_100000732662 [0,1,0,0,0,0|3,0,0]=4 253 B16R2.71 Fc1ccccc1CSc2ccnnc2 62a_100000732662_100000211605 [0,1,0,0,0,0|3,0,0]=4 254 B16R2.71 Fc1ccccc1NCc2ccncc2 207a_100000210422_100000186114 [0,1,0,0,0,0|3,0,0]=4 255 B16R2.71 Fc1ccccc1OCc2ccncc2 7a_100000210171_100015193705 [0,1,0,0,0,0|2,1,0]=4 256 B16R2.71 Fc1ccccc1SCc2ccccc2 62a_100000211182_100011215700 [0,1,0,0,0,0|3,0,0]=4 257 B16R2.71 Fc1ccccc1SCc2ccccc2 62a_100011215700_100015291786 [0,1,0,0,0,0|3,0,0]=4 258 B16R2.71 Fc1ccccc1SCc2ccncc2 62a_100011215700_100015193705 [0,1,0,0,0,0|2,0,0]=3 259 B16R2.71 Fc1ccccc1SCc2ccncc2 62a_100015193705_100011215700 [0,1,0,0,0,0|2,0,0]=3 260 B16R2.71 Fc1cccnc1CSc2ccncc2 62a_100000104219_100000728582 [0,1,0,0,0,0|3,0,0]=4 261 B16R2.71 Fc1cccnc1CSc2ccncc2 62a_100000728582_100000104219 [0,1,0,0,0,0|3,0,0]=4 262 B16R2.71 Fc1cccnc1SCc2ccncc2 62a_100000685392_100015193705 [0,1,0,0,0,0|3,0,0]=4 263 B16R2.71 Fc1cccnc1SCc2ccncc2 62a_100015193705_100000685392 [0,1,0,0,0,0|3,0,0]=4 264 B16R2.71 Fc1ccncc1SCc2ccncc2 62a_100009820683_100015193705 [0,1,0,0,0,0|3,0,0]=4 265 B16R2.71 Fc1ccncc1SCc2ccncc2 62a_100015193705_100009820683 [0,1,0,0,0,0|3,0,0]=4 266 B16R2.71 Fc1cnccc1C#Cc2ccccc2 271570a_100000069678_100000047030 [0,1,0,0,0,0|3,0,0]=4 267 B16R2.71 Fc1cnccc1C=Cc2ccccc2 271570a_100102527694_100000047030 [0,1,0,0,0,0|3,0,0]=4 268 B16R2.71 Fc1cnccc1CNc2ccncn2 27a_100011935246_100000703185 [0,1,0,0,0,0|3,0,0]=4 269 B16R2.71 Fc1cnccc1NCc2ccccc2 27a_100015324214_100000035921 [0,1,0,0,0,0|3,0,0]=4 270 B16R2.71 Fc1cnccc1NCc2ccncc2 27a_100000210450_100000035921 [0,1,0,0,0,0|2,0,0]=3 271 B16R2.71 Fc1cnccc1NCc2ccncn2 27a_100000736019_100000035921 [0,1,0,0,0,0|3,0,0]=4 272 B16R2.71 Fc1cnccc1OCc2ccccc2 34a_200000081243_100015291786 [0,1,0,0,0,0|2,1,0]=4 273 B16R2.71 Fc1cnccc1SCc2ccccc2 62a_100000047030_100015291786 [0,1,0,0,0,0|2,0,0]=3 274 B16R2.71 Fc1cnccc1SCc2ccccc2 62a_100000211182_100000047030 [0,1,0,0,0,0|2,0,0]=3 275 B16R2.71 Fc1cnccc1SCc2ccccn2 62a_100000047030_100000721315 [0,1,0,0,0,0|3,0,0]=4 276 B16R2.71 Fc1cnccc1SCc2ccccn2 62a_100000721315_100000047030 [0,1,0,0,0,0|3,0,0]=4 277 B16R2.71 Fc1cnccc1SCc2cccnc2 62a_100000047030_100000741622 [0,1,0,0,0,0|3,0,0]=4 278 B16R2.71 Fc1cnccc1SCc2cccnc2 62a_100000741622_100000047030 [0,1,0,0,0,0|3,0,0]=4 279 B16R2.71 Fc1cnccc1SCc2ccncc2 62a_100000047030_100015193705 [0,1,0,0,0,0|1,0,0]=2 280 B16R2.71 Fc1cnccc1SCc2ccncc2 62a_100015193705_100000047030 [0,1,0,0,0,0|1,0,0]=2 281 B16R2.71 Fc1cncnc1NCc2ccncc2 27a_100000210450_100000069762 [0,1,0,0,0,0|3,0,0]=4 282 B16R2.71 Fc1cncnc1SCc2ccccc2 62a_100000069762_100015291786 [0,1,0,0,0,0|3,0,0]=4 283 B16R2.71 Fc1cncnc1SCc2ccccc2 62a_100000211182_100000069762 [0,1,0,0,0,0|3,0,0]=4 284 B16R2.71 Fc1cncnc1SCc2ccncc2 62a_100000069762_100015193705 [0,1,0,0,0,0|2,0,0]=3 285 B16R2.71 Fc1cncnc1SCc2ccncc2 62a_100015193705_100000069762 [0,1,0,0,0,0|2,0,0]=3 286 B16R2.71 Fc1ncccc1CSc2ccncc2 62a_100000099810_100000728582 [0,1,0,0,0,0|3,0,0]=4 287 B16R2.71 Fc1ncccc1CSc2ccncc2 62a_100000728582_100000099810 [0,1,0,0,0,0|3,0,0]=4 288 B16R2.71 Fc1ncccc1SCc2ccncc2 62a_100009816115_100015193705 [0,1,0,0,0,0|3,0,0]=4 289 B16R2.71 Fc1ncccc1SCc2ccncc2 62a_100015193705_100009816115 [0,1,0,0,0,0|3,0,0]=4 290 B16R2.71 Ic1ccccc1COc2ccncc2 34a_100000212176_100011215278 [0,1,0,0,0,0|2,1,0]=4 291 B16R2.71 Ic1ccccc1CSc2ccccc2 62a_100000719477_100011216222 [0,1,0,0,0,0|3,0,0]=4 292 B16R2.71 Ic1ccccc1CSc2ccccc2 62a_100011216222_100000041952 [0,1,0,0,0,0|3,0,0]=4 293 B16R2.71 Ic1ccccc1CSc2ccncc2 62a_100000728582_100011216222 [0,1,0,0,0,0|2,0,0]=3 294 B16R2.71 Ic1ccccc1CSc2ccncc2 62a_100011216222_100000728582 [0,1,0,0,0,0|2,0,0]=3 295 B16R2.71 Ic1ccccc1CSc2ccncn2 62a_100000703185_100011216222 [0,1,0,0,0,0|3,0,0]=4 296 B16R2.71 Ic1ccccc1CSc2ccncn2 62a_100011216222_100000703185 [0,1,0,0,0,0|3,0,0]=4 297 B16R2.71 Ic1ccccc1CSc2ccnnc2 62a_100000732662_100011216222 [0,1,0,0,0,0|3,0,0]=4 298 B16R2.71 Ic1ccccc1CSc2ccnnc2 62a_100011216222_100000732662 [0,1,0,0,0,0|3,0,0]=4 299 B16R2.71 Ic1ccccc1NCc2ccncc2 207a_100000210053_100000186114 [0,1,0,0,0,0|3,0,0]=4 300 B16R2.71 Ic1ccccc1OCc2ccncc2 7a_100000739446_100015193705 [0,1,0,0,0,0|2,1,0]=4 301 B16R2.71 Nc1ccccc1OCc2ccncc2 7a_100000185747_100015193705 [0,1,0,0,0,0|2,1,0]=4 302 B16R2.71 Nc1ccccc1SCc2ccccc2 62a_100000210017_100015291786 [0,1,0,0,0,0|3,0,0]=4 303 B16R2.71 Nc1ccccc1SCc2ccccc2 62a_100000211182_100000210017 [0,1,0,0,0,0|3,0,0]=4 304 B16R2.71 Nc1ccccc1SCc2ccncc2 62a_100000210017_100015193705 [0,1,0,0,0,0|2,0,0]=3 305 B16R2.71 Nc1ccccc1SCc2ccncc2 62a_100015193705_100000210017 [0,1,0,0,0,0|2,0,0]=3 306 B16R2.71 Nc1cccnc1SCc2ccncc2 62a_100000688686_100015193705 [0,1,0,0,0,0|3,0,0]=4 307 B16R2.71 Nc1cccnc1SCc2ccncc2 62a_100015193705_100000688686 [0,1,0,0,0,0|3,0,0]=4 308 B16R2.71 Nc1ccncc1SCc2ccncc2 62a_100000047001_100015193705 [0,1,0,0,0,0|3,0,0]=4 309 B16R2.71 Nc1ccncc1SCc2ccncc2 62a_100015193705_100000047001 [0,1,0,0,0,0|3,0,0]=4 310 B16R2.71 Nc1cnccc1C#Cc2ccccc2 271570a_100000069678_100009815883 [0,1,0,0,0,0|3,0,0]=4 311 B16R2.71 Nc1cnccc1C=Cc2ccccc2 271570a_100102527694_100009815883 [0,1,0,0,0,0|3,0,0]=4 312 B16R2.71 Nc1cnccc1SCc2ccccc2 62a_100000211182_100000756074 [0,1,0,0,0,0|2,0,0]=3 313 B16R2.71 Nc1cnccc1SCc2ccccc2 62a_100000756074_100015291786 [0,1,0,0,0,0|2,0,0]=3 314 B16R2.71 Nc1cnccc1SCc2ccccn2 62a_100000721315_100000756074 [0,1,0,0,0,0|3,0,0]=4 315 B16R2.71 Nc1cnccc1SCc2ccccn2 62a_100000756074_100000721315 [0,1,0,0,0,0|3,0,0]=4 316 B16R2.71 Nc1cnccc1SCc2cccnc2 62a_100000741622_100000756074 [0,1,0,0,0,0|3,0,0]=4 317 B16R2.71 Nc1cnccc1SCc2cccnc2 62a_100000756074_100000741622 [0,1,0,0,0,0|3,0,0]=4 318 B16R2.71 Nc1cnccc1SCc2ccncc2 62a_100000756074_100015193705 [0,1,0,0,0,0|1,0,0]=2 319 B16R2.71 Nc1cnccc1SCc2ccncc2 62a_100015193705_100000756074 [0,1,0,0,0,0|1,0,0]=2 320 B16R2.71 Nc1cncnc1NCc2ccncc2 27a_100000210450_100000709731 [0,1,0,0,0,0|3,0,0]=4 321 B16R2.71 Nc1cncnc1SCc2ccccc2 62a_100000211182_100000709731 [0,1,0,0,0,0|3,0,0]=4 322 B16R2.71 Nc1cncnc1SCc2ccccc2 62a_100000709731_100015291786 [0,1,0,0,0,0|3,0,0]=4 323 B16R2.71 Nc1cncnc1SCc2ccncc2 62a_100000709731_100015193705 [0,1,0,0,0,0|2,0,0]=3 324 B16R2.71 Nc1cncnc1SCc2ccncc2 62a_100015193705_100000709731 [0,1,0,0,0,0|2,0,0]=3 325 B16R2.71 Nc1cnncc1SCc2ccccc2 62a_100000211182_100009829405 [0,1,0,0,0,0|3,0,0]=4 326 B16R2.71 Nc1cnncc1SCc2ccccc2 62a_100009829405_100015291786 [0,1,0,0,0,0|3,0,0]=4 327 B16R2.71 Nc1cnncc1SCc2ccncc2 62a_100009829405_100015193705 [0,1,0,0,0,0|2,0,0]=3 328 B16R2.71 Nc1cnncc1SCc2ccncc2 62a_100015193705_100009829405 [0,1,0,0,0,0|2,0,0]=3 329 B16R2.71 Nc1ncccc1SCc2ccncc2 62a_100000045569_100015193705 [0,1,0,0,0,0|3,0,0]=4 330 B16R2.71 Nc1ncccc1SCc2ccncc2 62a_100015193705_100000045569 [0,1,0,0,0,0|3,0,0]=4 331 B16R2.71 O=c1[nH]nccc1NCc2ccncc2 27a_100000210450_100000087129 [0,1,0,0,0,0|3,0,0]=4 332 B16R2.71 O=c1[nH]nccc1SCc2ccccc2 62a_100000211182_100000087129 [0,1,0,0,0,0|3,0,0]=4 333 B16R2.71 O=c1[nH]nccc1SCc2ccncc2 62a_100015193705_100000087129 [0,1,0,0,0,0|2,0,0]=3 334 B16R2.71 O=c1cc[nH]cc1SCc2ccncc2 62a_100009998708_100015193705 [0,1,0,0,0,0|3,0,0]=4 335 B16R2.71 O=c1cc[nH]cc1SCc2ccncc2 62a_100015193705_100009998708 [0,1,0,0,0,0|3,0,0]=4 336 B16R2.71 Oc1ccccc1SCc2ccccc2 62a_100000211182_100000739446 [0,1,0,0,0,0|3,0,0]=4 337 B16R2.71 Oc1ccccc1SCc2ccccc2 62a_100000739446_100015291786 [0,1,0,0,0,0|3,0,0]=4 338 B16R2.71 Oc1ccccc1SCc2ccncc2 62a_100000739446_100015193705 [0,1,0,0,0,0|2,0,0]=3 339 B16R2.71 Oc1ccccc1SCc2ccncc2 62a_100015193705_100000739446 [0,1,0,0,0,0|2,0,0]=3 340 B16R2.71 Oc1cccnc1CSc2ccncc2 62a_100000728582_200020655725 [0,1,0,0,0,0|3,0,0]=4 341 B16R2.71 Oc1cccnc1CSc2ccncc2 62a_200020655725_100000728582 [0,1,0,0,0,0|3,0,0]=4 342 B16R2.71 Oc1cccnc1SCc2ccncc2 62a_100000034122_100015193705 [0,1,0,0,0,0|3,0,0]=4 343 B16R2.71 Oc1cccnc1SCc2ccncc2 62a_100015193705_100000034122 [0,1,0,0,0,0|3,0,0]=4 344 B16R2.71 Oc1cnccc1C#Cc2ccccc2 271570a_100000069678_100009817591 [0,1,0,0,0,0|3,0,0]=4 345 B16R2.71 Oc1cnccc1C=Cc2ccccc2 271570a_100102527694_100009817591 [0,1,0,0,0,0|3,0,0]=4 346 B16R2.71 Oc1cnccc1SCc2ccccc2 62a_100000211182_100009817591 [0,1,0,0,0,0|2,0,0]=3 347 B16R2.71 Oc1cnccc1SCc2ccccc2 62a_100009817591_100015291786 [0,1,0,0,0,0|2,0,0]=3 348 B16R2.71 Oc1cnccc1SCc2ccccn2 62a_100000721315_100009817591 [0,1,0,0,0,0|3,0,0]=4 349 B16R2.71 Oc1cnccc1SCc2ccccn2 62a_100009817591_100000721315 [0,1,0,0,0,0|3,0,0]=4 350 B16R2.71 Oc1cnccc1SCc2cccnc2 62a_100000741622_100009817591 [0,1,0,0,0,0|3,0,0]=4 351 B16R2.71 Oc1cnccc1SCc2cccnc2 62a_100009817591_100000741622 [0,1,0,0,0,0|3,0,0]=4 352 B16R2.71 Oc1cnccc1SCc2ccncc2 62a_100009817591_100015193705 [0,1,0,0,0,0|1,0,0]=2 353 B16R2.71 Oc1cnccc1SCc2ccncc2 62a_100015193705_100009817591 [0,1,0,0,0,0|1,0,0]=2 354 B16R2.71 Oc1ncccc1SCc2ccncc2 62a_100000760158_100015193705 [0,1,0,0,0,0|3,0,0]=4 355 B16R2.71 Oc1ncccc1SCc2ccncc2 62a_100015193705_100000760158 [0,1,0,0,0,0|3,0,0]=4 356 B16R2.71 S=c1cc[nH]cc1SCc2ccncc2 62a_100015193705_200012280681 [0,1,0,0,0,0|3,0,0]=4 357 B16R2.71 S=c1cc[nH]cc1SCc2ccncc2 62a_200012280681_100015193705 [0,1,0,0,0,0|3,0,0]=4 358 B16R2.71 [O-][n+]1ccccc1SCc2ccncc2 62a_100015193705_200000042595 [0,1,0,0,0,0|3,0,0]=4 359 B16R2.88 CC(Cc1ccncc1)c2ccccc2 271570a_100000062452_100000035832 [0,1,0,0,0,0|3,0,0]=4 360 B16R2.88 CC(Nc1ccncn1)c2ccncc2 27a_100000181269_100000703185 [0,1,0,0,0,0|3,0,0]=4 361 B16R2.88 CC(Oc1ccncc1)c2ccccc2 34a_100000212176_100000211855 [0,1,0,0,0,0|2,1,0]=4 362 B16R2.88 CC(Sc1ccccc1)c2ccccc2 62a_100000230085_100000041952 [0,1,0,0,0,0|3,0,0]=4 363 B16R2.88 CC(Sc1ccccc1)c2ccccc2 62a_100000719477_100000230085 [0,1,0,0,0,0|3,0,0]=4 364 B16R2.88 CC(Sc1ccncc1)c2ccccc2 62a_100000230085_100000728582 [0,1,0,0,0,0|2,0,0]=3 365 B16R2.88 CC(Sc1ccncc1)c2ccccc2 62a_100000728582_100000230085 [0,1,0,0,0,0|2,0,0]=3 366 B16R2.88 CC(Sc1ccncn1)c2ccccc2 62a_100000230085_100000703185 [0,1,0,0,0,0|3,0,0]=4 367 B16R2.88 CC(Sc1ccncn1)c2ccccc2 62a_100000703185_100000230085 [0,1,0,0,0,0|3,0,0]=4 368 B16R2.88 CC(Sc1ccnnc1)c2ccccc2 62a_100000230085_100000732662 [0,1,0,0,0,0|3,0,0]=4 369 B16R2.88 CC(Sc1ccnnc1)c2ccccc2 62a_100000732662_100000230085 [0,1,0,0,0,0|3,0,0]=4 370 B16R2.88 CN(Cc1ccncc1)c2ccccc2 2230a_100000210012_100015193705 [0,1,0,0,0,0|3,0,0]=4 371 B16R2.88 CN(Cc1ccncc1)c2ccccc2 269982a_100000210012_100015193705 [0,1,0,0,0,0|3,0,0]=4 372 B16R2.88 CN(Cc1ccncc1)c2ccncn2 27a_100000187231_100000703185 [0,1,0,0,0,0|3,0,0]=4 373 B16R2.88 O=C(Cc1ccncc1)c2ccccc2 1458a_100000185807_100000705612 [0,1,0,0,0,0|3,0,0]=4 374 B16R2.132 Brc1ccc(cc1)C=Cc2ccncc2 271570a_100102527914_100000035832 [0,1,0,0,0,0|3,0,0]=4 375 B16R2.132 Brc1ccc(cc1)COc2ccncc2 34a_100000212176_100000189115 [0,1,0,0,0,0|2,1,0]=4 376 B16R2.132 Brc1ccc(cc1)CSc2ccccc2 62a_100000189115_100000041952 [0,1,0,0,0,0|3,0,0]=4 377 B16R2.132 Brc1ccc(cc1)CSc2ccccc2 62a_100000719477_100000189115 [0,1,0,0,0,0|3,0,0]=4 378 B16R2.132 Brc1ccc(cc1)CSc2ccncc2 62a_100000189115_100000728582 [0,1,0,0,0,0|2,0,0]=3 379 B16R2.132 Brc1ccc(cc1)CSc2ccncc2 62a_100000728582_100000189115 [0,1,0,0,0,0|2,0,0]=3 380 B16R2.132 Brc1ccc(cc1)CSc2ccncn2 62a_100000189115_100000703185 [0,1,0,0,0,0|3,0,0]=4 381 B16R2.132 Brc1ccc(cc1)CSc2ccncn2 62a_100000703185_100000189115 [0,1,0,0,0,0|3,0,0]=4 382 B16R2.132 Brc1ccc(cc1)CSc2ccnnc2 62a_100000189115_100000732662 [0,1,0,0,0,0|3,0,0]=4 383 B16R2.132 Brc1ccc(cc1)CSc2ccnnc2 62a_100000732662_100000189115 [0,1,0,0,0,0|3,0,0]=4 384 B16R2.132 Brc1ccc(cc1)NCc2ccncc2 207a_100000210018_100000186114 [0,1,0,0,0,0|3,0,0]=4 385 B16R2.132 Brc1ccc(cc1)NCc2ccncc2 2230a_100000210018_100015193705 [0,1,0,0,0,0|3,0,0]=4 386 B16R2.132 Brc1ccc(cc1)OCc2ccncc2 7a_100000185759_100015193705 [0,1,0,0,0,0|2,1,0]=4 387 B16R2.132 Brc1ccc(cc1)SCc2ccccc2 62a_100000211182_100000752885 [0,1,0,0,0,0|3,0,0]=4 388 B16R2.132 Brc1ccc(cc1)SCc2ccccc2 62a_100000752885_100015291786 [0,1,0,0,0,0|3,0,0]=4 389 B16R2.132 Brc1ccc(cc1)SCc2ccncc2 62a_100000752885_100015193705 [0,1,0,0,0,0|2,0,0]=3 390 B16R2.132 Brc1ccc(cc1)SCc2ccncc2 62a_100015193705_100000752885 [0,1,0,0,0,0|2,0,0]=3 391 B16R2.132 Brc1ccc(cn1)CSc2ccncc2 62a_100000728582_100009831999 [0,1,0,0,0,0|3,0,0]=4 392 B16R2.132 Brc1ccc(cn1)CSc2ccncc2 62a_100009831999_100000728582 [0,1,0,0,0,0|3,0,0]=4 393 B16R2.132 Brc1ccc(cn1)SCc2ccncc2 62a_100009814638_100015193705 [0,1,0,0,0,0|3,0,0]=4 394 B16R2.132 Brc1ccc(cn1)SCc2ccncc2 62a_100015193705_100009814638 [0,1,0,0,0,0|3,0,0]=4 395 B16R2.132 Brc1ccc(nc1)CSc2ccncc2 62a_100000702658_100000728582 [0,1,0,0,0,0|3,0,0]=4 396 B16R2.132 Brc1ccc(nc1)CSc2ccncc2 62a_100000728582_100000702658 [0,1,0,0,0,0|3,0,0]=4 397 B16R2.132 Brc1ccc(nc1)SCc2ccncc2 62a_100000686858_100015193705 [0,1,0,0,0,0|3,0,0]=4 398 B16R2.132 Brc1ccc(nc1)SCc2ccncc2 62a_100015193705_100000686858 [0,1,0,0,0,0|3,0,0]=4 399 B16R2.132 Cc1ccc(cc1)C=Cc2ccncc2 271570a_100102527916_100000035832 [0,1,0,0,0,0|3,0,0]=4 400 B16R2.132 Cc1ccc(cc1)COc2ccncc2 34a_100000212176_100000210814 [0,1,0,0,0,0|2,1,0]=4 401 B16R2.132 Cc1ccc(cc1)CSc2ccccc2 62a_100000210814_100000041952 [0,1,0,0,0,0|3,0,0]=4 402 B16R2.132 Cc1ccc(cc1)CSc2ccccc2 62a_100000719477_100000210814 [0,1,0,0,0,0|3,0,0]=4 403 B16R2.132 Cc1ccc(cc1)CSc2ccncc2 62a_100000210814_100000728582 [0,1,0,0,0,0|2,0,0]=3 404 B16R2.132 Cc1ccc(cc1)CSc2ccncc2 62a_100000728582_100000210814 [0,1,0,0,0,0|2,0,0]=3 405 B16R2.132 Cc1ccc(cc1)CSc2ccncn2 62a_100000210814_100000703185 [0,1,0,0,0,0|3,0,0]=4 406 B16R2.132 Cc1ccc(cc1)CSc2ccncn2 62a_100000703185_100000210814 [0,1,0,0,0,0|3,0,0]=4 407 B16R2.132 Cc1ccc(cc1)CSc2ccnnc2 62a_100000210814_100000732662 [0,1,0,0,0,0|3,0,0]=4 408 B16R2.132 Cc1ccc(cc1)CSc2ccnnc2 62a_100000732662_100000210814 [0,1,0,0,0,0|3,0,0]=4 409 B16R2.132 Cc1ccc(cc1)NCc2ccncc2 207a_100000124888_100000186114 [0,1,0,0,0,0|3,0,0]=4 410 B16R2.132 Cc1ccc(cc1)OCc2ccncc2 7a_100000210336_100015193705 [0,1,0,0,0,0|2,1,0]=4 411 B16R2.132 Cc1ccc(cc1)SCc2ccccc2 62a_100000186775_100015291786 [0,1,0,0,0,0|3,0,0]=4 412 B16R2.132 Cc1ccc(cc1)SCc2ccccc2 62a_100000211182_100000186775 [0,1,0,0,0,0|3,0,0]=4 413 B16R2.132 Cc1ccc(cc1)SCc2ccncc2 62a_100000186775_100015193705 [0,1,0,0,0,0|2,0,0]=3 414 B16R2.132 Cc1ccc(cc1)SCc2ccncc2 62a_100015193705_100000186775 [0,1,0,0,0,0|2,0,0]=3 415 B16R2.132 Cc1ccc(cn1)CSc2ccncc2 62a_100000728582_100016987292 [0,1,0,0,0,0|3,0,0]=4 416 B16R2.132 Cc1ccc(cn1)CSc2ccncc2 62a_100016987292_100000728582 [0,1,0,0,0,0|3,0,0]=4 417 B16R2.132 Cc1ccc(cn1)SCc2ccncc2 62a_100000751577_100015193705 [0,1,0,0,0,0|3,0,0]=4 418 B16R2.132 Cc1ccc(cn1)SCc2ccncc2 62a_100015193705_100000751577 [0,1,0,0,0,0|3,0,0]=4 419 B16R2.132 Cc1ccc(nc1)CSc2ccncc2 62a_100000691093_100000728582 [0,1,0,0,0,0|3,0,0]=4 420 B16R2.132 Cc1ccc(nc1)CSc2ccncc2 62a_100000728582_100000691093 [0,1,0,0,0,0|3,0,0]=4 421 B16R2.132 Cc1ccc(nc1)SCc2ccncc2 62a_100011192072_100015193705 [0,1,0,0,0,0|3,0,0]=4 422 B16R2.132 Cc1ccc(nc1)SCc2ccncc2 62a_100015193705_100000754016 [0,1,0,0,0,0|3,0,0]=4 423 B16R2.132 Clc1ccc(cc1)C=Cc2ccncc2 271570a_100102527930_100000035832 [0,1,0,0,0,0|3,0,0]=4 424 B16R2.132 Clc1ccc(cc1)COc2ccncc2 34a_100000212176_100000694040 [0,1,0,0,0,0|2,1,0]=4 425 B16R2.132 Clc1ccc(cc1)CSc2ccccc2 62a_100000187161_100000041952 [0,1,0,0,0,0|3,0,0]=4 426 B16R2.132 Clc1ccc(cc1)CSc2ccccc2 62a_100000719477_100000187161 [0,1,0,0,0,0|3,0,0]=4 427 B16R2.132 Clc1ccc(cc1)CSc2ccncc2 62a_100000187161_100000728582 [0,1,0,0,0,0|2,0,0]=3 428 B16R2.132 Clc1ccc(cc1)CSc2ccncc2 62a_100000728582_100000187161 [0,1,0,0,0,0|2,0,0]=3 429 B16R2.132 Clc1ccc(cc1)CSc2ccncn2 62a_100000187161_100000703185 [0,1,0,0,0,0|3,0,0]=4 430 B16R2.132 Clc1ccc(cc1)CSc2ccncn2 62a_100000703185_100000187161 [0,1,0,0,0,0|3,0,0]=4 431 B16R2.132 Clc1ccc(cc1)CSc2ccnnc2 62a_100000187161_100000732662 [0,1,0,0,0,0|3,0,0]=4 432 B16R2.132 Clc1ccc(cc1)CSc2ccnnc2 62a_100000732662_100000187161 [0,1,0,0,0,0|3,0,0]=4 433 B16R2.132 Clc1ccc(cc1)NCc2ccncc2 207a_100000210052_100000186114 [0,1,0,0,0,0|3,0,0]=4 434 B16R2.132 Clc1ccc(cc1)NCc2ccncc2 2230a_100000210052_100015193705 [0,1,0,0,0,0|3,0,0]=4 435 B16R2.132 Clc1ccc(cc1)OCc2ccncc2 7a_100000210216_100015193705 [0,1,0,0,0,0|2,1,0]=4 436 B16R2.132 Clc1ccc(cc1)SCc2ccccc2 62a_100000211182_100000755918 [0,1,0,0,0,0|3,0,0]=4 437 B16R2.132 Clc1ccc(cc1)SCc2ccccc2 62a_100000755918_100015291786 [0,1,0,0,0,0|3,0,0]=4 438 B16R2.132 Clc1ccc(cc1)SCc2ccncc2 62a_100000755918_100015193705 [0,1,0,0,0,0|2,0,0]=3 439 B16R2.132 Clc1ccc(cc1)SCc2ccncc2 62a_100015193705_100000755918 [0,1,0,0,0,0|2,0,0]=3 440 B16R2.132 Clc1ccc(cn1)CSc2ccncc2 62a_100000728582_100000735431 [0,1,0,0,0,0|3,0,0]=4 441 B16R2.132 Clc1ccc(cn1)CSc2ccncc2 62a_100000735431_100000728582 [0,1,0,0,0,0|3,0,0]=4 442 B16R2.132 Clc1ccc(cn1)SCc2ccncc2 62a_100000034144_100015193705 [0,1,0,0,0,0|3,0,0]=4 443 B16R2.132 Clc1ccc(cn1)SCc2ccncc2 62a_100015193705_100000034144 [0,1,0,0,0,0|3,0,0]=4 444 B16R2.132 Clc1ccc(nc1)CSc2ccncc2 62a_100000728582_100000697101 [0,1,0,0,0,0|3,0,0]=4 445 B16R2.132 Clc1ccc(nc1)CSc2ccncc2 62a_100012066911_100000728582 [0,1,0,0,0,0|3,0,0]=4 446 B16R2.132 Clc1ccc(nc1)SCc2ccncc2 62a_100011356976_100015193705 [0,1,0,0,0,0|3,0,0]=4 447 B16R2.132 Clc1ccc(nc1)SCc2ccncc2 62a_100015193705_100011356976 [0,1,0,0,0,0|3,0,0]=4 448 B16R2.132 Fc1ccc(cc1)C=Cc2ccncc2 271570a_100102525539_100000035832 [0,1,0,0,0,0|3,0,0]=4 449 B16R2.132 Fc1ccc(cc1)COc2ccncc2 34a_100000212176_100000198546 [0,1,0,0,0,0|2,1,0]=4 450 B16R2.132 Fc1ccc(cc1)CSc2ccccc2 62a_100000198546_100000041952 [0,1,0,0,0,0|3,0,0]=4 451 B16R2.132 Fc1ccc(cc1)CSc2ccccc2 62a_100000719477_100000187164 [0,1,0,0,0,0|3,0,0]=4 452 B16R2.132 Fc1ccc(cc1)CSc2ccncc2 62a_100000198546_100000728582 [0,1,0,0,0,0|2,0,0]=3 453 B16R2.132 Fc1ccc(cc1)CSc2ccncc2 62a_100000728582_100000187164 [0,1,0,0,0,0|2,0,0]=3 454 B16R2.132 Fc1ccc(cc1)CSc2ccncn2 62a_100000198546_100000703185 [0,1,0,0,0,0|3,0,0]=4 455 B16R2.132 Fc1ccc(cc1)CSc2ccncn2 62a_100000703185_100000187164 [0,1,0,0,0,0|3,0,0]=4 456 B16R2.132 Fc1ccc(cc1)CSc2ccnnc2 62a_100000198546_100000732662 [0,1,0,0,0,0|3,0,0]=4 457 B16R2.132 Fc1ccc(cc1)CSc2ccnnc2 62a_100000732662_100000187164 [0,1,0,0,0,0|3,0,0]=4 458 B16R2.132 Fc1ccc(cc1)NCc2ccncc2 207a_100000185862_100000186114 [0,1,0,0,0,0|3,0,0]=4 459 B16R2.132 Fc1ccc(cc1)SCc2ccccc2 62a_100000211182_100000211213 [0,1,0,0,0,0|3,0,0]=4 460 B16R2.132 Fc1ccc(cc1)SCc2ccccc2 62a_100000211213_100015291786 [0,1,0,0,0,0|3,0,0]=4 461 B16R2.132 Fc1ccc(cc1)SCc2ccncc2 62a_100000211213_100015193705 [0,1,0,0,0,0|2,0,0]=3 462 B16R2.132 Fc1ccc(cc1)SCc2ccncc2 62a_100015193705_100000211213 [0,1,0,0,0,0|2,0,0]=3 463 B16R2.132 Fc1ccc(cn1)CSc2ccncc2 62a_100000728582_100000099788 [0,1,0,0,0,0|3,0,0]=4 464 B16R2.132 Fc1ccc(cn1)CSc2ccncc2 62a_100009820150_100000728582 [0,1,0,0,0,0|3,0,0]=4 465 B16R2.132 Fc1ccc(cn1)SCc2ccncc2 62a_100000042367_100015193705 [0,1,0,0,0,0|3,0,0]=4 466 B16R2.132 Fc1ccc(cn1)SCc2ccncc2 62a_100015193705_100000042367 [0,1,0,0,0,0|3,0,0]=4 467 B16R2.132 Fc1ccc(nc1)CSc2ccncc2 62a_100000703193_100000728582 [0,1,0,0,0,0|3,0,0]=4 468 B16R2.132 Fc1ccc(nc1)CSc2ccncc2 62a_100000728582_100000703193 [0,1,0,0,0,0|3,0,0]=4 469 B16R2.132 Fc1ccc(nc1)SCc2ccncc2 62a_100000744514_100015193705 [0,1,0,0,0,0|3,0,0]=4 470 B16R2.132 Fc1ccc(nc1)SCc2ccncc2 62a_100015193705_100000744514 [0,1,0,0,0,0|3,0,0]=4 471 B16R2.132 Ic1ccc(cc1)COc2ccncc2 34a_100000212176_100000189116 [0,1,0,0,0,0|2,1,0]=4 472 B16R2.132 Ic1ccc(cc1)CSc2ccccc2 62a_100000189116_100000041952 [0,1,0,0,0,0|3,0,0]=4 473 B16R2.132 Ic1ccc(cc1)CSc2ccccc2 62a_100000719477_100000189116 [0,1,0,0,0,0|3,0,0]=4 474 B16R2.132 Ic1ccc(cc1)CSc2ccncc2 62a_100000189116_100000728582 [0,1,0,0,0,0|2,0,0]=3 475 B16R2.132 Ic1ccc(cc1)CSc2ccncc2 62a_100000728582_100000189116 [0,1,0,0,0,0|2,0,0]=3 476 B16R2.132 Ic1ccc(cc1)CSc2ccncn2 62a_100000189116_100000703185 [0,1,0,0,0,0|3,0,0]=4 477 B16R2.132 Ic1ccc(cc1)CSc2ccncn2 62a_100000703185_100000189116 [0,1,0,0,0,0|3,0,0]=4 478 B16R2.132 Ic1ccc(cc1)CSc2ccnnc2 62a_100000189116_100000732662 [0,1,0,0,0,0|3,0,0]=4 479 B16R2.132 Ic1ccc(cc1)CSc2ccnnc2 62a_100000732662_100000189116 [0,1,0,0,0,0|3,0,0]=4 480 B16R2.132 Ic1ccc(cc1)NCc2ccncc2 207a_100000185761_100000186114 [0,1,0,0,0,0|3,0,0]=4 481 B16R2.132 Ic1ccc(cc1)OCc2ccncc2 7a_100000212066_100015193705 [0,1,0,0,0,0|2,1,0]=4 482 B16R2.132 Nc1ccc(cc1)SCc2ccccc2 62a_100000185761_100015291786 [0,1,0,0,0,0|3,0,0]=4 483 B16R2.132 Nc1ccc(cc1)SCc2ccccc2 62a_100000211182_100000185761 [0,1,0,0,0,0|3,0,0]=4 484 B16R2.132 Nc1ccc(cc1)SCc2ccncc2 62a_100000185761_100015193705 [0,1,0,0,0,0|2,0,0]=3 485 B16R2.132 Nc1ccc(cc1)SCc2ccncc2 62a_100015193705_100000185761 [0,1,0,0,0,0|2,0,0]=3 486 B16R2.132 Nc1ccc(cn1)SCc2ccncc2 62a_100000187370_100015193705 [0,1,0,0,0,0|3,0,0]=4 487 B16R2.132 Nc1ccc(cn1)SCc2ccncc2 62a_100015193705_100000187370 [0,1,0,0,0,0|3,0,0]=4 488 B16R2.132 Nc1ccc(nc1)SCc2ccncc2 62a_100000737798_100015193705 [0,1,0,0,0,0|3,0,0]=4 489 B16R2.132 Nc1ccc(nc1)SCc2ccncc2 62a_100015193705_100000737798 [0,1,0,0,0,0|3,0,0]=4 490 B16R2.132 O=c1ccc(c[nH]1)SCc2ccncc2 62a_100000212171_100015193705 [0,1,0,0,0,0|3,0,0]=4 491 B16R2.132 O=c1ccc(c[nH]1)SCc2ccncc2 62a_100015193705_100000212171 [0,1,0,0,0,0|3,0,0]=4 492 B16R2.132 Oc1ccc(cc1)SCc2ccccc2 271570a_203496583355_100009811532 [0,1,0,0,0,0|3,0,0]=4 493 B16R2.132 Oc1ccc(cc1)SCc2ccccc2 62a_100000211182_100000185759 [0,1,0,0,0,0|3,0,0]=4 494 B16R2.132 Oc1ccc(cc1)SCc2ccncc2 62a_100015193705_100000185759 [0,1,0,0,0,0|2,0,0]=3 495 B16R2.132 Oc1ccc(nc1)SCc2ccncc2 62a_100000685995_100015193705 [0,1,0,0,0,0|3,0,0]=4 496 B16R2.132 Oc1ccc(nc1)SCc2ccncc2 62a_100015193705_100000744096 [0,1,0,0,0,0|3,0,0]=4 497 B16R2.132 [O-][n+]1ccc(cc1)SCc2ccccc2 62a_100000211182_100000039755 [0,1,0,0,0,0|2,0,1]=4 498 B16R2.132 [O-][n+]1ccc(cc1)SCc2ccncc2 62a_100015193705_100000039755 [0,1,0,0,0,0|1,0,1]=3 499 B16R2.252 Brc1cc(ccn1)C#Cc2ccccc2 271570a_100000069678_100009814637 [0,1,0,0,0,0|3,0,0]=4 500 B16R2.252 Brc1cc(ccn1)C=Cc2ccccc2 271570a_100102527694_100009814637 [0,1,0,0,0,0|3,0,0]=4 501 B16R2.252 Brc1cc(ccn1)CNc2ccccc2 34a_100000106764_100010243470 [0,1,0,0,0,0|3,0,0]=4 502 B16R2.252 Brc1cc(ccn1)CNc2ccncn2 27a_100025757509_100000703185 [0,1,0,0,0,0|3,0,0]=4 503 B16R2.252 Brc1cc(ccn1)COc2ccccc2 34a_100000210340_100010243470 [0,1,0,0,0,0|2,1,0]=4 504 B16R2.252 Brc1cc(ccn1)COc2ccccc2 7a_100000210340_100010254460 [0,1,0,0,0,0|2,1,0]=4 505 B16R2.252 Brc1cc(ccn1)COc2ccncc2 34a_100000212176_100010243470 [0,1,0,0,0,0|1,1,0]=3 506 B16R2.252 Brc1cc(ccn1)COc2ccnnc2 34a_100015204005_100010243470 [0,1,0,0,0,0|2,1,0]=4 507 B16R2.252 Brc1cc(ccn1)CSc2ccccc2 62a_100000719477_100010243470 [0,1,0,0,0,0|2,0,0]=3 508 B16R2.252 Brc1cc(ccn1)CSc2ccccc2 62a_100010254460_100000041952 [0,1,0,0,0,0|2,0,0]=3 509 B16R2.252 Brc1cc(ccn1)CSc2ccccn2 62a_100010254460_100011216584 [0,1,0,0,0,0|3,0,0]=4 510 B16R2.252 Brc1cc(ccn1)CSc2ccccn2 62a_100011216584_100010243470 [0,1,0,0,0,0|3,0,0]=4 511 B16R2.252 Brc1cc(ccn1)CSc2cccnc2 62a_100000210063_100010243470 [0,1,0,0,0,0|3,0,0]=4 512 B16R2.252 Brc1cc(ccn1)CSc2cccnc2 62a_100010254460_100000210063 [0,1,0,0,0,0|3,0,0]=4 513 B16R2.252 Brc1cc(ccn1)CSc2ccncc2 62a_100000728582_100010243470 [0,1,0,0,0,0|1,0,0]=2 514 B16R2.252 Brc1cc(ccn1)CSc2ccncc2 62a_100010254460_100000728582 [0,1,0,0,0,0|1,0,0]=2 515 B16R2.252 Brc1cc(ccn1)CSc2ccncn2 62a_100000703185_100010243470 [0,1,0,0,0,0|2,0,0]=3 516 B16R2.252 Brc1cc(ccn1)CSc2ccncn2 62a_100010254460_100000703185 [0,1,0,0,0,0|2,0,0]=3 517 B16R2.252 Brc1cc(ccn1)CSc2ccnnc2 62a_100000732662_100010243470 [0,1,0,0,0,0|2,0,0]=3 518 B16R2.252 Brc1cc(ccn1)CSc2ccnnc2 62a_100010254460_100000732662 [0,1,0,0,0,0|2,0,0]=3 519 B16R2.252 Brc1cc(ccn1)CSc2cnnnc2 62a_100009846058_100010243470 [0,1,0,0,0,0|3,0,0]=4 520 B16R2.252 Brc1cc(ccn1)CSc2cnnnc2 62a_100010254460_100009846058 [0,1,0,0,0,0|3,0,0]=4 521 B16R2.252 Brc1cc(ccn1)SCc2ccccc2 62a_100000211182_100009814637 [0,1,0,0,0,0|2,0,0]=3 522 B16R2.252 Brc1cc(ccn1)SCc2ccccc2 62a_100009814637_100015291786 [0,1,0,0,0,0|2,0,0]=3 523 B16R2.252 Brc1cc(ccn1)SCc2ccccn2 62a_100000721315_100009814637 [0,1,0,0,0,0|3,0,0]=4 524 B16R2.252 Brc1cc(ccn1)SCc2ccccn2 62a_100009814637_100000721315 [0,1,0,0,0,0|3,0,0]=4 525 B16R2.252 Brc1cc(ccn1)SCc2cccnc2 62a_100000741622_100009814637 [0,1,0,0,0,0|3,0,0]=4 526 B16R2.252 Brc1cc(ccn1)SCc2cccnc2 62a_100009814637_100000741622 [0,1,0,0,0,0|3,0,0]=4 527 B16R2.252 Brc1cc(ccn1)SCc2ccncc2 62a_100009814637_100015193705 [0,1,0,0,0,0|1,0,0]=2 528 B16R2.252 Brc1cc(ccn1)SCc2ccncc2 62a_100015193705_100009814637 [0,1,0,0,0,0|1,0,0]=2 529 B16R2.252 Brc1cccc(c1)COc2ccncc2 34a_100000212176_100000698116 [0,1,0,0,0,0|2,1,0]=4 530 B16R2.252 Brc1cccc(c1)CSc2ccccc2 62a_100000211773_100000041952 [0,1,0,0,0,0|3,0,0]=4 531 B16R2.252 Brc1cccc(c1)CSc2ccccc2 62a_100000719477_100000211773 [0,1,0,0,0,0|3,0,0]=4 532 B16R2.252 Brc1cccc(c1)CSc2ccncc2 62a_100000211773_100000728582 [0,1,0,0,0,0|2,0,0]=3 533 B16R2.252 Brc1cccc(c1)CSc2ccncc2 62a_100000728582_100000211773 [0,1,0,0,0,0|2,0,0]=3 534 B16R2.252 Brc1cccc(c1)CSc2ccncn2 62a_100000211773_100000703185 [0,1,0,0,0,0|3,0,0]=4 535 B16R2.252 Brc1cccc(c1)CSc2ccncn2 62a_100000703185_100000211773 [0,1,0,0,0,0|3,0,0]=4 536 B16R2.252 Brc1cccc(c1)CSc2ccnnc2 62a_100000211773_100000732662 [0,1,0,0,0,0|3,0,0]=4 537 B16R2.252 Brc1cccc(c1)CSc2ccnnc2 62a_100000732662_100000211773 [0,1,0,0,0,0|3,0,0]=4 538 B16R2.252 Brc1cccc(c1)NCc2ccncc2 207a_100000210019_100000186114 [0,1,0,0,0,0|3,0,0]=4 539 B16R2.252 Brc1cccc(c1)OCc2ccncc2 7a_100000210342_100015193705 [0,1,0,0,0,0|2,1,0]=4 540 B16R2.252 Brc1cccc(c1)SCc2ccccc2 62a_100000211182_100000691529 [0,1,0,0,0,0|3,0,0]=4 541 B16R2.252 Brc1cccc(c1)SCc2ccccc2 62a_100000691529_100015291786 [0,1,0,0,0,0|3,0,0]=4 542 B16R2.252 Brc1cccc(c1)SCc2ccncc2 62a_100000691529_100015193705 [0,1,0,0,0,0|2,0,0]=3 543 B16R2.252 Brc1cccc(c1)SCc2ccncc2 62a_100015193705_100000691529 [0,1,0,0,0,0|2,0,0]=3 544 B16R2.252 Brc1cccc(n1)CSc2ccncc2 62a_100000728582_100009889011 [0,1,0,0,0,0|3,0,0]=4 545 B16R2.252 Brc1cccc(n1)CSc2ccncc2 62a_100009889011_100000728582 [0,1,0,0,0,0|3,0,0]=4 546 B16R2.252 Brc1cccc(n1)SCc2ccncc2 62a_100000684672_100015193705 [0,1,0,0,0,0|3,0,0]=4 547 B16R2.252 Brc1cccc(n1)SCc2ccncc2 62a_100015193705_100000684672 [0,1,0,0,0,0|3,0,0]=4 548 B16R2.252 Brc1ccnc(c1)CSc2ccncc2 62a_100000728582_100010173614 [0,1,0,0,0,0|3,0,0]=4 549 B16R2.252 Brc1ccnc(c1)CSc2ccncc2 62a_100010173614_100000728582 [0,1,0,0,0,0|3,0,0]=4 550 B16R2.252 Brc1cncc(c1)CSc2ccncc2 62a_100000728582_100000738771 [0,1,0,0,0,0|3,0,0]=4 551 B16R2.252 Brc1cncc(c1)CSc2ccncc2 62a_100000738771_100000728582 [0,1,0,0,0,0|3,0,0]=4 552 B16R2.252 Brc1cncc(c1)SCc2ccncc2 62a_100000728054_100015193705 [0,1,0,0,0,0|3,0,0]=4 553 B16R2.252 Brc1cncc(c1)SCc2ccncc2 62a_100015193705_100000728054 [0,1,0,0,0,0|3,0,0]=4 554 B16R2.252 C[n+]1cccc(c1)SCc2ccncc2 62a_100009996589_100015193705 [0,1,0,0,0,0|3,0,0]=4 555 B16R2.252 C[n+]1cccc(c1)SCc2ccncc2 62a_100015193705_100009996589 [0,1,0,0,0,0|3,0,0]=4 556 B16R2.252 Cc1cc(ccn1)C#Cc2ccccc2 271570a_100000069678_100000758586 [0,1,0,0,0,0|3,0,0]=4 557 B16R2.252 Cc1cc(ccn1)C=Cc2ccccc2 271570a_100102527694_100000758586 [0,1,0,0,0,0|3,0,0]=4 558 B16R2.252 Cc1cc(ccn1)CNc2ccccc2 207a_100000106764_100011361630 [0,1,0,0,0,0|3,0,0]=4 559 B16R2.252 Cc1cc(ccn1)CNc2ccccc2 34a_100000106764_200020672517 [0,1,0,0,0,0|3,0,0]=4 560 B16R2.252 Cc1cc(ccn1)CNc2ccncn2 27a_100011934566_100000703185 [0,1,0,0,0,0|3,0,0]=4 561 B16R2.252 Cc1cc(ccn1)COc2ccccc2 34a_100000210340_200020672517 [0,1,0,0,0,0|2,1,0]=4 562 B16R2.252 Cc1cc(ccn1)COc2ccccc2 7a_100000210340_200020672517 [0,1,0,0,0,0|2,1,0]=4 563 B16R2.252 Cc1cc(ccn1)COc2ccncc2 34a_100000212176_200020672517 [0,1,0,0,0,0|1,1,0]=3 564 B16R2.252 Cc1cc(ccn1)COc2ccnnc2 34a_100015204005_200020672517 [0,1,0,0,0,0|2,1,0]=4 565 B16R2.252 Cc1cc(ccn1)CSc2ccccc2 62a_100000719477_200020672517 [0,1,0,0,0,0|2,0,0]=3 566 B16R2.252 Cc1cc(ccn1)CSc2ccccc2 62a_200020672517_100000041952 [0,1,0,0,0,0|2,0,0]=3 567 B16R2.252 Cc1cc(ccn1)CSc2ccccn2 62a_100011216584_200020672517 [0,1,0,0,0,0|3,0,0]=4 568 B16R2.252 Cc1cc(ccn1)CSc2ccccn2 62a_200020672517_100011216584 [0,1,0,0,0,0|3,0,0]=4 569 B16R2.252 Cc1cc(ccn1)CSc2cccnc2 62a_100000210063_200020672517 [0,1,0,0,0,0|3,0,0]=4 570 B16R2.252 Cc1cc(ccn1)CSc2cccnc2 62a_200020672517_100000210063 [0,1,0,0,0,0|3,0,0]=4 571 B16R2.252 Cc1cc(ccn1)CSc2ccncc2 62a_100000728582_200020672517 [0,1,0,0,0,0|1,0,0]=2 572 B16R2.252 Cc1cc(ccn1)CSc2ccncc2 62a_200020672517_100000728582 [0,1,0,0,0,0|1,0,0]=2 573 B16R2.252 Cc1cc(ccn1)CSc2ccncn2 62a_100000703185_200020672517 [0,1,0,0,0,0|2,0,0]=3 574 B16R2.252 Cc1cc(ccn1)CSc2ccncn2 62a_200020672517_100000703185 [0,1,0,0,0,0|2,0,0]=3 575 B16R2.252 Cc1cc(ccn1)CSc2ccnnc2 62a_100000732662_200020672517 [0,1,0,0,0,0|2,0,0]=3 576 B16R2.252 Cc1cc(ccn1)CSc2ccnnc2 62a_200020672517_100000732662 [0,1,0,0,0,0|2,0,0]=3 577 B16R2.252 Cc1cc(ccn1)CSc2cnnnc2 62a_100009846058_200020672517 [0,1,0,0,0,0|3,0,0]=4 578 B16R2.252 Cc1cc(ccn1)CSc2cnnnc2 62a_200020672517_100009846058 [0,1,0,0,0,0|3,0,0]=4 579 B16R2.252 Cc1cc(ccn1)NCc2ccccc2 27a_100015324214_100000758586 [0,1,0,0,0,0|3,0,0]=4 580 B16R2.252 Cc1cc(ccn1)NCc2ccncc2 27a_100000210450_100000758586 [0,1,0,0,0,0|2,0,0]=3 581 B16R2.252 Cc1cc(ccn1)NCc2ccncn2 27a_100000736019_100000758586 [0,1,0,0,0,0|3,0,0]=4 582 B16R2.252 Cc1cc(ccn1)OCc2ccccc2 34a_100000688365_100015291786 [0,1,0,0,0,0|2,1,0]=4 583 B16R2.252 Cc1cc(ccn1)SCc2ccccc2 62a_100000211182_100000758586 [0,1,0,0,0,0|2,0,0]=3 584 B16R2.252 Cc1cc(ccn1)SCc2ccccc2 62a_100000758586_100015291786 [0,1,0,0,0,0|2,0,0]=3 585 B16R2.252 Cc1cc(ccn1)SCc2ccccn2 62a_100000721315_100000758586 [0,1,0,0,0,0|3,0,0]=4 586 B16R2.252 Cc1cc(ccn1)SCc2ccccn2 62a_100000758586_100000721315 [0,1,0,0,0,0|3,0,0]=4 587 B16R2.252 Cc1cc(ccn1)SCc2cccnc2 62a_100000741622_100000758586 [0,1,0,0,0,0|3,0,0]=4 588 B16R2.252 Cc1cc(ccn1)SCc2cccnc2 62a_100000758586_100000741622 [0,1,0,0,0,0|3,0,0]=4 589 B16R2.252 Cc1cc(ccn1)SCc2ccncc2 62a_100000758586_100015193705 [0,1,0,0,0,0|1,0,0]=2 590 B16R2.252 Cc1cc(ccn1)SCc2ccncc2 62a_100015193705_100000758586 [0,1,0,0,0,0|1,0,0]=2 591 B16R2.252 Cc1cc(ncn1)NCc2ccncc2 27a_100000210450_100000744208 [0,1,0,0,0,0|3,0,0]=4 592 B16R2.252 Cc1cc(ncn1)SCc2ccccc2 62a_100000211182_100000744208 [0,1,0,0,0,0|3,0,0]=4 593 B16R2.252 Cc1cc(ncn1)SCc2ccccc2 62a_100000744208_100015291786 [0,1,0,0,0,0|3,0,0]=4 594 B16R2.252 Cc1cc(ncn1)SCc2ccncc2 62a_100000744208_100015193705 [0,1,0,0,0,0|2,0,0]=3 595 B16R2.252 Cc1cc(ncn1)SCc2ccncc2 62a_100015193705_100000744208 [0,1,0,0,0,0|2,0,0]=3 596 B16R2.252 Cc1cccc(c1)C=Cc2ccncc2 271570a_200135466880_100000035832 [0,1,0,0,0,0|3,0,0]=4 597 B16R2.252 Cc1cccc(c1)COc2ccncc2 34a_100000212176_100000211840 [0,1,0,0,0,0|2,1,0]=4 598 B16R2.252 Cc1cccc(c1)CSc2ccccc2 62a_100000211840_100000041952 [0,1,0,0,0,0|3,0,0]=4 599 B16R2.252 Cc1cccc(c1)CSc2ccccc2 62a_100000719477_100000211840 [0,1,0,0,0,0|3,0,0]=4 600 B16R2.252 Cc1cccc(c1)CSc2ccncc2 62a_100000211840_100000728582 [0,1,0,0,0,0|2,0,0]=3 601 B16R2.252 Cc1cccc(c1)CSc2ccncc2 62a_100000728582_100000211840 [0,1,0,0,0,0|2,0,0]=3 602 B16R2.252 Cc1cccc(c1)CSc2ccncn2 62a_100000211840_100000703185 [0,1,0,0,0,0|3,0,0]=4 603 B16R2.252 Cc1cccc(c1)CSc2ccncn2 62a_100000703185_100000211840 [0,1,0,0,0,0|3,0,0]=4 604 B16R2.252 Cc1cccc(c1)CSc2ccnnc2 62a_100000211840_100000732662 [0,1,0,0,0,0|3,0,0]=4 605 B16R2.252 Cc1cccc(c1)CSc2ccnnc2 62a_100000732662_100000211840 [0,1,0,0,0,0|3,0,0]=4 606 B16R2.252 Cc1cccc(c1)NCc2ccncc2 207a_100000188690_100000186114 [0,1,0,0,0,0|3,0,0]=4 607 B16R2.252 Cc1cccc(c1)NCc2ccncc2 2230a_100000188690_100015193705 [0,1,0,0,0,0|3,0,0]=4 608 B16R2.252 Cc1cccc(c1)OCc2ccncc2 7a_100000210337_100015193705 [0,1,0,0,0,0|2,1,0]=4 609 B16R2.252 Cc1cccc(c1)SCc2ccccc2 62a_100000211182_100011215228 [0,1,0,0,0,0|3,0,0]=4 610 B16R2.252 Cc1cccc(c1)SCc2ccccc2 62a_100011215228_100015291786 [0,1,0,0,0,0|3,0,0]=4 611 B16R2.252 Cc1cccc(c1)SCc2ccncc2 62a_100011215228_100015193705 [0,1,0,0,0,0|2,0,0]=3 612 B16R2.252 Cc1cccc(c1)SCc2ccncc2 62a_100015193705_100011215228 [0,1,0,0,0,0|2,0,0]=3 613 B16R2.252 Cc1cccc(n1)CSc2ccncc2 62a_100000728582_100000757606 [0,1,0,0,0,0|3,0,0]=4 614 B16R2.252 Cc1cccc(n1)CSc2ccncc2 62a_100000757606_100000728582 [0,1,0,0,0,0|3,0,0]=4 615 B16R2.252 Cc1cccc(n1)SCc2ccncc2 62a_100000742759_100015193705 [0,1,0,0,0,0|3,0,0]=4 616 B16R2.252 Cc1cccc(n1)SCc2ccncc2 62a_100015193705_100000742759 [0,1,0,0,0,0|3,0,0]=4 617 B16R2.252 Cc1ccnc(c1)CSc2ccncc2 62a_100000718516_100000728582 [0,1,0,0,0,0|3,0,0]=4 618 B16R2.252 Cc1ccnc(c1)CSc2ccncc2 62a_100000728582_100000718516 [0,1,0,0,0,0|3,0,0]=4 619 B16R2.252 Cc1ccnc(c1)SCc2ccncc2 62a_100000750283_100015193705 [0,1,0,0,0,0|3,0,0]=4 620 B16R2.252 Cc1ccnc(c1)SCc2ccncc2 62a_100015193705_100000750283 [0,1,0,0,0,0|3,0,0]=4 621 B16R2.252 Cc1cncc(c1)CSc2ccncc2 62a_100000716715_100000728582 [0,1,0,0,0,0|3,0,0]=4 622 B16R2.252 Cc1cncc(c1)CSc2ccncc2 62a_100000728582_100000716715 [0,1,0,0,0,0|3,0,0]=4 623 B16R2.252 Cc1cncc(c1)SCc2ccncc2 62a_100000760492_100015193705 [0,1,0,0,0,0|3,0,0]=4 624 B16R2.252 Cc1cncc(c1)SCc2ccncc2 62a_100015193705_100000760492 [0,1,0,0,0,0|3,0,0]=4 625 B16R2.252 Cc1nccc(n1)NCc2ccncc2 27a_100000210450_100000749937 [0,1,0,0,0,0|3,0,0]=4 626 B16R2.252 Cc1nccc(n1)SCc2ccccc2 62a_100000211182_100000749937 [0,1,0,0,0,0|3,0,0]=4 627 B16R2.252 Cc1nccc(n1)SCc2ccccc2 62a_100000749937_100015291786 [0,1,0,0,0,0|3,0,0]=4 628 B16R2.252 Cc1nccc(n1)SCc2ccncc2 62a_100000749937_100015193705 [0,1,0,0,0,0|2,0,0]=3 629 B16R2.252 Cc1nccc(n1)SCc2ccncc2 62a_100015193705_100000749937 [0,1,0,0,0,0|2,0,0]=3 630 B16R2.252 Clc1cc(ccn1)C#Cc2ccccc2 271570a_100000069678_100000035001 [0,1,0,0,0,0|3,0,0]=4 631 B16R2.252 Clc1cc(ccn1)C=Cc2ccccc2 271570a_100102527694_100000035001 [0,1,0,0,0,0|3,0,0]=4 632 B16R2.252 Clc1cc(ccn1)CNc2ccccc2 34a_100000106764_100000764220 [0,1,0,0,0,0|3,0,0]=4 633 B16R2.252 Clc1cc(ccn1)CNc2ccncn2 27a_100015205668_100000703185 [0,1,0,0,0,0|3,0,0]=4 634 B16R2.252 Clc1cc(ccn1)COc2ccccc2 34a_100000210340_100000764220 [0,1,0,0,0,0|2,1,0]=4 635 B16R2.252 Clc1cc(ccn1)COc2ccccc2 7a_100000210340_100000764220 [0,1,0,0,0,0|2,1,0]=4 636 B16R2.252 Clc1cc(ccn1)COc2ccncc2 34a_100000212176_100000764220 [0,1,0,0,0,0|1,1,0]=3 637 B16R2.252 Clc1cc(ccn1)COc2ccnnc2 34a_100015204005_100000764220 [0,1,0,0,0,0|2,1,0]=4 638 B16R2.252 Clc1cc(ccn1)CSc2ccccc2 62a_100000719477_100000764220 [0,1,0,0,0,0|2,0,0]=3 639 B16R2.252 Clc1cc(ccn1)CSc2ccccc2 62a_100000764220_100000041952 [0,1,0,0,0,0|2,0,0]=3 640 B16R2.252 Clc1cc(ccn1)CSc2ccccn2 62a_100000764220_100011216584 [0,1,0,0,0,0|3,0,0]=4 641 B16R2.252 Clc1cc(ccn1)CSc2ccccn2 62a_100011216584_100000764220 [0,1,0,0,0,0|3,0,0]=4 642 B16R2.252 Clc1cc(ccn1)CSc2cccnc2 62a_100000210063_100000764220 [0,1,0,0,0,0|3,0,0]=4 643 B16R2.252 Clc1cc(ccn1)CSc2cccnc2 62a_100000764220_100000210063 [0,1,0,0,0,0|3,0,0]=4 644 B16R2.252 Clc1cc(ccn1)CSc2ccncc2 62a_100000728582_100000764220 [0,1,0,0,0,0|1,0,0]=2 645 B16R2.252 Clc1cc(ccn1)CSc2ccncc2 62a_100000764220_100000728582 [0,1,0,0,0,0|1,0,0]=2 646 B16R2.252 Clc1cc(ccn1)CSc2ccncn2 62a_100000703185_100000764220 [0,1,0,0,0,0|2,0,0]=3 647 B16R2.252 Clc1cc(ccn1)CSc2ccncn2 62a_100000764220_100000703185 [0,1,0,0,0,0|2,0,0]=3 648 B16R2.252 Clc1cc(ccn1)CSc2ccnnc2 62a_100000732662_100000764220 [0,1,0,0,0,0|2,0,0]=3 649 B16R2.252 Clc1cc(ccn1)CSc2ccnnc2 62a_100000764220_100000732662 [0,1,0,0,0,0|2,0,0]=3 650 B16R2.252 Clc1cc(ccn1)CSc2cnnnc2 62a_100000764220_100009846058 [0,1,0,0,0,0|3,0,0]=4 651 B16R2.252 Clc1cc(ccn1)CSc2cnnnc2 62a_100009846058_100000764220 [0,1,0,0,0,0|3,0,0]=4 652 B16R2.252 Clc1cc(ccn1)OCc2ccccc2 34a_100000762945_100015291786 [0,1,0,0,0,0|2,1,0]=4 653 B16R2.252 Clc1cc(ccn1)SCc2ccccc2 62a_100000035001_100015291786 [0,1,0,0,0,0|2,0,0]=3 654 B16R2.252 Clc1cc(ccn1)SCc2ccccc2 62a_100000211182_100000035001 [0,1,0,0,0,0|2,0,0]=3 655 B16R2.252 Clc1cc(ccn1)SCc2ccccn2 62a_100000035001_100000721315 [0,1,0,0,0,0|3,0,0]=4 656 B16R2.252 Clc1cc(ccn1)SCc2ccccn2 62a_100000721315_100000035001 [0,1,0,0,0,0|3,0,0]=4 657 B16R2.252 Clc1cc(ccn1)SCc2cccnc2 62a_100000035001_100000741622 [0,1,0,0,0,0|3,0,0]=4 658 B16R2.252 Clc1cc(ccn1)SCc2cccnc2 62a_100000741622_100000035001 [0,1,0,0,0,0|3,0,0]=4 659 B16R2.252 Clc1cc(ccn1)SCc2ccncc2 62a_100000035001_100015193705 [0,1,0,0,0,0|1,0,0]=2 660 B16R2.252 Clc1cc(ccn1)SCc2ccncc2 62a_100015193705_100000035001 [0,1,0,0,0,0|1,0,0]=2 661 B16R2.252 Clc1cc(ncn1)SCc2ccccc2 62a_100000211182_100010161198 [0,1,0,0,0,0|3,0,0]=4 662 B16R2.252 Clc1cc(ncn1)SCc2ccccc2 62a_100010161198_100015291786 [0,1,0,0,0,0|3,0,0]=4 663 B16R2.252 Clc1cc(ncn1)SCc2ccncc2 62a_100010161198_100015193705 [0,1,0,0,0,0|2,0,0]=3 664 B16R2.252 Clc1cc(ncn1)SCc2ccncc2 62a_100015193705_100010161198 [0,1,0,0,0,0|2,0,0]=3 665 B16R2.252 Clc1cccc(c1)C=Cc2ccncc2 271570a_100102525933_100000035832 [0,1,0,0,0,0|3,0,0]=4 666 B16R2.252 Clc1cccc(c1)COc2ccncc2 34a_100000212176_100000187163 [0,1,0,0,0,0|2,1,0]=4 667 B16R2.252 Clc1cccc(c1)CSc2ccccc2 62a_100000187163_100000041952 [0,1,0,0,0,0|3,0,0]=4 668 B16R2.252 Clc1cccc(c1)CSc2ccccc2 62a_100000719477_100000187163 [0,1,0,0,0,0|3,0,0]=4 669 B16R2.252 Clc1cccc(c1)CSc2ccncc2 62a_100000187163_100000728582 [0,1,0,0,0,0|2,0,0]=3 670 B16R2.252 Clc1cccc(c1)CSc2ccncc2 62a_100000728582_100000187163 [0,1,0,0,0,0|2,0,0]=3 671 B16R2.252 Clc1cccc(c1)CSc2ccncn2 62a_100000187163_100000703185 [0,1,0,0,0,0|3,0,0]=4 672 B16R2.252 Clc1cccc(c1)CSc2ccncn2 62a_100000703185_100000187163 [0,1,0,0,0,0|3,0,0]=4 673 B16R2.252 Clc1cccc(c1)CSc2ccnnc2 62a_100000187163_100000732662 [0,1,0,0,0,0|3,0,0]=4 674 B16R2.252 Clc1cccc(c1)CSc2ccnnc2 62a_100000732662_100000187163 [0,1,0,0,0,0|3,0,0]=4 675 B16R2.252 Clc1cccc(c1)NCc2ccncc2 207a_100000185859_100000186114 [0,1,0,0,0,0|3,0,0]=4 676 B16R2.252 Clc1cccc(c1)OCc2ccncc2 7a_100000210295_100015193705 [0,1,0,0,0,0|2,1,0]=4 677 B16R2.252 Clc1cccc(c1)SCc2ccccc2 62a_100000211182_100000699651 [0,1,0,0,0,0|3,0,0]=4 678 B16R2.252 Clc1cccc(c1)SCc2ccccc2 62a_100000699651_100015291786 [0,1,0,0,0,0|3,0,0]=4 679 B16R2.252 Clc1cccc(c1)SCc2ccncc2 62a_100000699651_100015193705 [0,1,0,0,0,0|2,0,0]=3 680 B16R2.252 Clc1cccc(c1)SCc2ccncc2 62a_100015193705_100000699651 [0,1,0,0,0,0|2,0,0]=3 681 B16R2.252 Clc1cccc(n1)CSc2ccncc2 62a_100000086093_100000728582 [0,1,0,0,0,0|3,0,0]=4 682 B16R2.252 Clc1cccc(n1)CSc2ccncc2 62a_100000728582_100000086093 [0,1,0,0,0,0|3,0,0]=4 683 B16R2.252 Clc1cccc(n1)SCc2ccncc2 62a_100000051397_100015193705 [0,1,0,0,0,0|3,0,0]=4 684 B16R2.252 Clc1cccc(n1)SCc2ccncc2 62a_100015193705_100000051397 [0,1,0,0,0,0|3,0,0]=4 685 B16R2.252 Clc1ccnc(c1)CSc2ccncc2 62a_100000728582_100016988179 [0,1,0,0,0,0|3,0,0]=4 686 B16R2.252 Clc1ccnc(c1)CSc2ccncc2 62a_100016988179_100000728582 [0,1,0,0,0,0|3,0,0]=4 687 B16R2.252 Clc1ccnc(c1)SCc2ccncc2 62a_100010167805_100015193705 [0,1,0,0,0,0|3,0,0]=4 688 B16R2.252 Clc1ccnc(c1)SCc2ccncc2 62a_100015193705_100010167805 [0,1,0,0,0,0|3,0,0]=4 689 B16R2.252 Clc1cncc(c1)CSc2ccncc2 62a_100000728582_100016992070 [0,1,0,0,0,0|3,0,0]=4 690 B16R2.252 Clc1cncc(c1)CSc2ccncc2 62a_100016992070_100000728582 [0,1,0,0,0,0|3,0,0]=4 691 B16R2.252 Clc1cncc(c1)SCc2ccncc2 62a_100000049639_100015193705 [0,1,0,0,0,0|3,0,0]=4 692 B16R2.252 Clc1cncc(c1)SCc2ccncc2 62a_100015193705_100000049639 [0,1,0,0,0,0|3,0,0]=4 693 B16R2.252 Clc1nccc(n1)COc2ccncc2 34a_100000212176_100000099655 [0,1,0,0,0,0|2,1,0]=4 694 B16R2.252 Clc1nccc(n1)CSc2ccccc2 62a_100000099655_100000041952 [0,1,0,0,0,0|3,0,0]=4 695 B16R2.252 Clc1nccc(n1)CSc2ccccc2 62a_100000719477_100000099655 [0,1,0,0,0,0|3,0,0]=4 696 B16R2.252 Clc1nccc(n1)CSc2ccncc2 62a_100000099655_100000728582 [0,1,0,0,0,0|2,0,0]=3 697 B16R2.252 Clc1nccc(n1)CSc2ccncc2 62a_100000728582_100000099655 [0,1,0,0,0,0|2,0,0]=3 698 B16R2.252 Clc1nccc(n1)CSc2ccncn2 62a_100000099655_100000703185 [0,1,0,0,0,0|3,0,0]=4 699 B16R2.252 Clc1nccc(n1)CSc2ccncn2 62a_100000703185_100000099655 [0,1,0,0,0,0|3,0,0]=4 700 B16R2.252 Clc1nccc(n1)CSc2ccnnc2 62a_100000099655_100000732662 [0,1,0,0,0,0|3,0,0]=4 701 B16R2.252 Clc1nccc(n1)CSc2ccnnc2 62a_100000732662_100000099655 [0,1,0,0,0,0|3,0,0]=4 702 B16R2.252 Clc1nccc(n1)SCc2ccccc2 62a_100000211182_100010154678 [0,1,0,0,0,0|3,0,0]=4 703 B16R2.252 Clc1nccc(n1)SCc2ccccc2 62a_100010154678_100015291786 [0,1,0,0,0,0|3,0,0]=4 704 B16R2.252 Clc1nccc(n1)SCc2ccncc2 62a_100010154678_100015193705 [0,1,0,0,0,0|2,0,0]=3 705 B16R2.252 Clc1nccc(n1)SCc2ccncc2 62a_100015193705_100010154678 [0,1,0,0,0,0|2,0,0]=3 706 B16R2.252 Fc1cc(ccn1)C#Cc2ccccc2 271570a_100000069678_100009816116 [0,1,0,0,0,0|3,0,0]=4 707 B16R2.252 Fc1cc(ccn1)C=Cc2ccccc2 271570a_100102527694_100009816116 [0,1,0,0,0,0|3,0,0]=4 708 B16R2.252 Fc1cc(ccn1)CNc2ccncn2 27a_100015188774_100000703185 [0,1,0,0,0,0|3,0,0]=4 709 B16R2.252 Fc1cc(ccn1)NCc2ccccc2 27a_100015324214_100009816116 [0,1,0,0,0,0|3,0,0]=4 710 B16R2.252 Fc1cc(ccn1)NCc2ccncc2 27a_100000210450_100009816116 [0,1,0,0,0,0|2,0,0]=3 711 B16R2.252 Fc1cc(ccn1)NCc2ccncn2 27a_100000736019_100009816116 [0,1,0,0,0,0|3,0,0]=4 712 B16R2.252 Fc1cc(ccn1)OCc2ccccc2 34a_100000732698_100015291786 [0,1,0,0,0,0|2,1,0]=4 713 B16R2.252 Fc1cc(ccn1)SCc2ccccc2 62a_100000211182_100009816116 [0,1,0,0,0,0|2,0,0]=3 714 B16R2.252 Fc1cc(ccn1)SCc2ccccc2 62a_100009816116_100015291786 [0,1,0,0,0,0|2,0,0]=3 715 B16R2.252 Fc1cc(ccn1)SCc2ccccn2 62a_100000721315_100009816116 [0,1,0,0,0,0|3,0,0]=4 716 B16R2.252 Fc1cc(ccn1)SCc2ccccn2 62a_100009816116_100000721315 [0,1,0,0,0,0|3,0,0]=4 717 B16R2.252 Fc1cc(ccn1)SCc2cccnc2 62a_100000741622_100009816116 [0,1,0,0,0,0|3,0,0]=4 718 B16R2.252 Fc1cc(ccn1)SCc2cccnc2 62a_100009816116_100000741622 [0,1,0,0,0,0|3,0,0]=4 719 B16R2.252 Fc1cc(ccn1)SCc2ccncc2 62a_100009816116_100015193705 [0,1,0,0,0,0|1,0,0]=2 720 B16R2.252 Fc1cc(ccn1)SCc2ccncc2 62a_100015193705_100009816116 [0,1,0,0,0,0|1,0,0]=2 721 B16R2.252 Fc1cc(ncn1)NCc2ccncc2 27a_100000210450_200009880791 [0,1,0,0,0,0|3,0,0]=4 722 B16R2.252 Fc1cc(ncn1)SCc2ccccc2 62a_100000211182_200009880791 [0,1,0,0,0,0|3,0,0]=4 723 B16R2.252 Fc1cc(ncn1)SCc2ccccc2 62a_200009880791_100015291786 [0,1,0,0,0,0|3,0,0]=4 724 B16R2.252 Fc1cc(ncn1)SCc2ccncc2 62a_100015193705_200009880791 [0,1,0,0,0,0|2,0,0]=3 725 B16R2.252 Fc1cc(ncn1)SCc2ccncc2 62a_200009880791_100015193705 [0,1,0,0,0,0|2,0,0]=3 726 B16R2.252 Fc1cccc(c1)C=Cc2ccncc2 271570a_100102525537_100000035832 [0,1,0,0,0,0|3,0,0]=4 727 B16R2.252 Fc1cccc(c1)COc2ccncc2 34a_100000212176_100000187166 [0,1,0,0,0,0|2,1,0]=4 728 B16R2.252 Fc1cccc(c1)CSc2ccccc2 62a_100000230114_100000041952 [0,1,0,0,0,0|3,0,0]=4 729 B16R2.252 Fc1cccc(c1)CSc2ccccc2 62a_100000719477_100000230114 [0,1,0,0,0,0|3,0,0]=4 730 B16R2.252 Fc1cccc(c1)CSc2ccncc2 62a_100000230114_100000728582 [0,1,0,0,0,0|2,0,0]=3 731 B16R2.252 Fc1cccc(c1)CSc2ccncc2 62a_100000728582_100000230114 [0,1,0,0,0,0|2,0,0]=3 732 B16R2.252 Fc1cccc(c1)CSc2ccncn2 62a_100000230114_100000703185 [0,1,0,0,0,0|3,0,0]=4 733 B16R2.252 Fc1cccc(c1)CSc2ccncn2 62a_100000703185_100000230114 [0,1,0,0,0,0|3,0,0]=4 734 B16R2.252 Fc1cccc(c1)CSc2ccnnc2 62a_100000230114_100000732662 [0,1,0,0,0,0|3,0,0]=4 735 B16R2.252 Fc1cccc(c1)CSc2ccnnc2 62a_100000732662_100000230114 [0,1,0,0,0,0|3,0,0]=4 736 B16R2.252 Fc1cccc(c1)NCc2ccncc2 207a_100000210047_100000186114 [0,1,0,0,0,0|3,0,0]=4 737 B16R2.252 Fc1cccc(c1)OCc2ccncc2 7a_100000210426_100015193705 [0,1,0,0,0,0|2,1,0]=4 738 B16R2.252 Fc1cccc(c1)SCc2ccccc2 62a_100000211182_100000685547 [0,1,0,0,0,0|3,0,0]=4 739 B16R2.252 Fc1cccc(c1)SCc2ccccc2 62a_100000685547_100015291786 [0,1,0,0,0,0|3,0,0]=4 740 B16R2.252 Fc1cccc(c1)SCc2ccncc2 62a_100000685547_100015193705 [0,1,0,0,0,0|2,0,0]=3 741 B16R2.252 Fc1cccc(c1)SCc2ccncc2 62a_100015193705_100000685547 [0,1,0,0,0,0|2,0,0]=3 742 B16R2.252 Fc1cccc(n1)CSc2ccncc2 62a_100000728582_100009819644 [0,1,0,0,0,0|3,0,0]=4 743 B16R2.252 Fc1cccc(n1)CSc2ccncc2 62a_100009819644_100000728582 [0,1,0,0,0,0|3,0,0]=4 744 B16R2.252 Fc1cccc(n1)SCc2ccncc2 62a_100009815982_100015193705 [0,1,0,0,0,0|3,0,0]=4 745 B16R2.252 Fc1cccc(n1)SCc2ccncc2 62a_100015193705_100009815982 [0,1,0,0,0,0|3,0,0]=4 746 B16R2.252 Fc1ccnc(c1)SCc2ccncc2 62a_100000764206_100015193705 [0,1,0,0,0,0|3,0,0]=4 747 B16R2.252 Fc1ccnc(c1)SCc2ccncc2 62a_100015193705_100000764206 [0,1,0,0,0,0|3,0,0]=4 748 B16R2.252 Fc1cncc(c1)CSc2ccncc2 62a_100000725299_100000728582 [0,1,0,0,0,0|3,0,0]=4 749 B16R2.252 Fc1cncc(c1)CSc2ccncc2 62a_100000728582_100000725299 [0,1,0,0,0,0|3,0,0]=4 750 B16R2.252 Fc1cncc(c1)SCc2ccncc2 62a_100000744099_100015193705 [0,1,0,0,0,0|3,0,0]=4 751 B16R2.252 Fc1cncc(c1)SCc2ccncc2 62a_100015193705_100000744099 [0,1,0,0,0,0|3,0,0]=4 752 B16R2.252 Ic1cccc(c1)COc2ccncc2 34a_100000212176_100011218688 [0,1,0,0,0,0|2,1,0]=4 753 B16R2.252 Ic1cccc(c1)CSc2ccccc2 62a_100000719477_100011218688 [0,1,0,0,0,0|3,0,0]=4 754 B16R2.252 Ic1cccc(c1)CSc2ccccc2 62a_100011218688_100000041952 [0,1,0,0,0,0|3,0,0]=4 755 B16R2.252 Ic1cccc(c1)CSc2ccncc2 62a_100000728582_100011218688 [0,1,0,0,0,0|2,0,0]=3 756 B16R2.252 Ic1cccc(c1)CSc2ccncc2 62a_100011218688_100000728582 [0,1,0,0,0,0|2,0,0]=3 757 B16R2.252 Ic1cccc(c1)CSc2ccncn2 62a_100000703185_100011218688 [0,1,0,0,0,0|3,0,0]=4 758 B16R2.252 Ic1cccc(c1)CSc2ccncn2 62a_100011218688_100000703185 [0,1,0,0,0,0|3,0,0]=4 759 B16R2.252 Ic1cccc(c1)CSc2ccnnc2 62a_100000732662_100011218688 [0,1,0,0,0,0|3,0,0]=4 760 B16R2.252 Ic1cccc(c1)CSc2ccnnc2 62a_100011218688_100000732662 [0,1,0,0,0,0|3,0,0]=4 761 B16R2.252 Ic1cccc(c1)NCc2ccncc2 207a_100000211102_100000186114 [0,1,0,0,0,0|3,0,0]=4 762 B16R2.252 Ic1cccc(c1)OCc2ccncc2 7a_100000211634_100015193705 [0,1,0,0,0,0|2,1,0]=4 763 B16R2.252 Nc1cc(ccn1)C#Cc2ccccc2 271570a_100000069678_100000744379 [0,1,0,0,0,0|3,0,0]=4 764 B16R2.252 Nc1cc(ccn1)C=Cc2ccccc2 271570a_100102527694_100000744379 [0,1,0,0,0,0|3,0,0]=4 765 B16R2.252 Nc1cc(ccn1)OCc2ccccc2 34a_100011834064_100015291786 [0,1,0,0,0,0|2,1,0]=4 766 B16R2.252 Nc1cc(ccn1)SCc2ccccc2 62a_100000049665_100015291786 [0,1,0,0,0,0|2,0,0]=3 767 B16R2.252 Nc1cc(ccn1)SCc2ccccc2 62a_100000211182_100000049665 [0,1,0,0,0,0|2,0,0]=3 768 B16R2.252 Nc1cc(ccn1)SCc2ccccn2 62a_100000049665_100000721315 [0,1,0,0,0,0|3,0,0]=4 769 B16R2.252 Nc1cc(ccn1)SCc2ccccn2 62a_100000721315_100000049665 [0,1,0,0,0,0|3,0,0]=4 770 B16R2.252 Nc1cc(ccn1)SCc2cccnc2 62a_100000049665_100000741622 [0,1,0,0,0,0|3,0,0]=4 771 B16R2.252 Nc1cc(ccn1)SCc2cccnc2 62a_100000741622_100000049665 [0,1,0,0,0,0|3,0,0]=4 772 B16R2.252 Nc1cc(ccn1)SCc2ccncc2 62a_100000049665_100015193705 [0,1,0,0,0,0|1,0,0]=2 773 B16R2.252 Nc1cc(ccn1)SCc2ccncc2 62a_100015193705_100000049665 [0,1,0,0,0,0|1,0,0]=2 774 B16R2.252 Nc1cc(cnn1)SCc2ccccc2 62a_100000130277_100015291786 [0,1,0,0,0,0|3,0,0]=4 775 B16R2.252 Nc1cc(cnn1)SCc2ccccc2 62a_100000211182_100000130277 [0,1,0,0,0,0|3,0,0]=4 776 B16R2.252 Nc1cc(cnn1)SCc2ccncc2 62a_100000130277_100015193705 [0,1,0,0,0,0|2,0,0]=3 777 B16R2.252 Nc1cc(cnn1)SCc2ccncc2 62a_100015193705_100000130277 [0,1,0,0,0,0|2,0,0]=3 778 B16R2.252 Nc1cc(ncn1)NCc2ccncc2 27a_100000210450_100000701291 [0,1,0,0,0,0|3,0,0]=4 779 B16R2.252 Nc1cc(ncn1)SCc2ccccc2 62a_100000211182_100000701291 [0,1,0,0,0,0|3,0,0]=4 780 B16R2.252 Nc1cc(ncn1)SCc2ccccc2 62a_100000701291_100015291786 [0,1,0,0,0,0|3,0,0]=4 781 B16R2.252 Nc1cc(ncn1)SCc2ccncc2 62a_100000701291_100015193705 [0,1,0,0,0,0|2,0,0]=3 782 B16R2.252 Nc1cc(ncn1)SCc2ccncc2 62a_100015193705_100000701291 [0,1,0,0,0,0|2,0,0]=3 783 B16R2.252 Nc1cccc(c1)SCc2ccccc2 62a_100000210019_100015291786 [0,1,0,0,0,0|3,0,0]=4 784 B16R2.252 Nc1cccc(c1)SCc2ccccc2 62a_100000211182_100000210019 [0,1,0,0,0,0|3,0,0]=4 785 B16R2.252 Nc1cccc(c1)SCc2ccncc2 62a_100000210019_100015193705 [0,1,0,0,0,0|2,0,0]=3 786 B16R2.252 Nc1cccc(c1)SCc2ccncc2 62a_100015193705_100000210019 [0,1,0,0,0,0|2,0,0]=3 787 B16R2.252 Nc1cccc(n1)SCc2ccncc2 62a_100000740741_100015193705 [0,1,0,0,0,0|3,0,0]=4 788 B16R2.252 Nc1cccc(n1)SCc2ccncc2 62a_100015193705_100000740741 [0,1,0,0,0,0|3,0,0]=4 789 B16R2.252 Nc1ccnc(c1)SCc2ccncc2 62a_100009814236_100015193705 [0,1,0,0,0,0|3,0,0]=4 790 B16R2.252 Nc1ccnc(c1)SCc2ccncc2 62a_100015193705_100009814236 [0,1,0,0,0,0|3,0,0]=4 791 B16R2.252 Nc1cncc(c1)SCc2ccncc2 62a_100000687067_100015193705 [0,1,0,0,0,0|3,0,0]=4 792 B16R2.252 Nc1cncc(c1)SCc2ccncc2 62a_100015193705_100000687067 [0,1,0,0,0,0|3,0,0]=4 793 B16R2.252 Nc1nccc(n1)NCc2ccncc2 27a_100000210450_100000055538 [0,1,0,0,0,0|3,0,0]=4 794 B16R2.252 Nc1nccc(n1)SCc2ccccc2 62a_100000055538_100015291786 [0,1,0,0,0,0|3,0,0]=4 795 B16R2.252 Nc1nccc(n1)SCc2ccccc2 62a_100000211182_100000055538 [0,1,0,0,0,0|3,0,0]=4 796 B16R2.252 Nc1nccc(n1)SCc2ccncc2 62a_100000055538_100015193705 [0,1,0,0,0,0|2,0,0]=3 797 B16R2.252 Nc1nccc(n1)SCc2ccncc2 62a_100015193705_100000055538 [0,1,0,0,0,0|2,0,0]=3 798 B16R2.252 Nc1ncnc(n1)SCc2ccncc2 62a_100000123831_100015193705 [0,1,0,0,0,0|3,0,0]=4 799 B16R2.252 Nc1ncnc(n1)SCc2ccncc2 62a_100015193705_100000123831 [0,1,0,0,0,0|3,0,0]=4 800 B16R2.252 O=c1cc(cc[nH]1)NCc2ccncc2 27a_100000210450_100000061649 [0,1,0,0,0,0|2,0,1]=4 801 B16R2.252 O=c1cc(cc[nH]1)SCc2ccccc2 62a_100000211182_100009816521 [0,1,0,0,0,0|2,0,1]=4 802 B16R2.252 O=c1cc(cc[nH]1)SCc2ccccc2 62a_100009816521_100015291786 [0,1,0,0,0,0|2,0,1]=4 803 B16R2.252 O=c1cc(cc[nH]1)SCc2ccncc2 62a_100009816521_100015193705 [0,1,0,0,0,0|1,0,1]=3 804 B16R2.252 O=c1cc(cc[nH]1)SCc2ccncc2 62a_100015193705_100009816521 [0,1,0,0,0,0|1,0,1]=3 805 B16R2.252 O=c1cc(cn[nH]1)SCc2ccncc2 62a_100015193705_100010197405 [0,1,0,0,0,0|2,0,1]=4 806 B16R2.252 O=c1cc(nc[nH]1)SCc2ccncc2 62a_100012002517_100015193705 [0,1,0,0,0,0|2,0,1]=4 807 B16R2.252 O=c1cc[nH]c(c1)SCc2ccncc2 62a_100009817434_100015193705 [0,1,0,0,0,0|3,0,0]=4 808 B16R2.252 O=c1cccc([nH]1)SCc2ccncc2 62a_100015193705_100000752884 [0,1,0,0,0,0|3,0,0]=4 809 B16R2.252 O=c1nc(cc[nH]1)SCc2ccncc2 62a_100015193705_200000134032 [0,1,0,0,0,0|2,0,1]=4 810 B16R2.252 Oc1cc(ccn1)CNc2ccccc2 207a_100000106764_100000688113 [0,1,0,0,0,0|3,0,0]=4 811 B16R2.252 Oc1cc(ccn1)CNc2ccncn2 27a_100000748557_100000703185 [0,1,0,0,0,0|3,0,0]=4 812 B16R2.252 Oc1cc(ccn1)OCc2ccccc2 271570a_203496583355_200000766317 [0,1,0,0,0,0|2,1,0]=4 813 B16R2.252 Oc1cc(ncn1)NCc2ccncc2 27a_100000210450_100000765262 [0,1,0,0,0,0|3,0,0]=4 814 B16R2.252 Oc1cc(ncn1)SCc2ccccc2 62a_100000211182_100000765262 [0,1,0,0,0,0|3,0,0]=4 815 B16R2.252 Oc1cc(ncn1)SCc2ccncc2 62a_100015193705_100000765262 [0,1,0,0,0,0|2,0,0]=3 816 B16R2.252 Oc1cccc(c1)COc2ccncc2 34a_100000212176_100011660834 [0,1,0,0,0,0|2,1,0]=4 817 B16R2.252 Oc1cccc(c1)CSc2ccccc2 62a_100000719477_100011660834 [0,1,0,0,0,0|3,0,0]=4 818 B16R2.252 Oc1cccc(c1)CSc2ccccc2 62a_100011660834_100000041952 [0,1,0,0,0,0|3,0,0]=4 819 B16R2.252 Oc1cccc(c1)CSc2ccncc2 62a_100000728582_100011660834 [0,1,0,0,0,0|2,0,0]=3 820 B16R2.252 Oc1cccc(c1)CSc2ccncc2 62a_100011660834_100000728582 [0,1,0,0,0,0|2,0,0]=3 821 B16R2.252 Oc1cccc(c1)CSc2ccncn2 62a_100000703185_100011660834 [0,1,0,0,0,0|3,0,0]=4 822 B16R2.252 Oc1cccc(c1)CSc2ccncn2 62a_100011660834_100000703185 [0,1,0,0,0,0|3,0,0]=4 823 B16R2.252 Oc1cccc(c1)CSc2ccnnc2 62a_100000732662_100011660834 [0,1,0,0,0,0|3,0,0]=4 824 B16R2.252 Oc1cccc(c1)CSc2ccnnc2 62a_100011660834_100000732662 [0,1,0,0,0,0|3,0,0]=4 825 B16R2.252 Oc1cccc(c1)SCc2ccccc2 271570a_203496583355_100103287807 [0,1,0,0,0,0|3,0,0]=4 826 B16R2.252 Oc1cccc(c1)SCc2ccccc2 62a_100000211182_100000211634 [0,1,0,0,0,0|3,0,0]=4 827 B16R2.252 Oc1cccc(c1)SCc2ccncc2 62a_100015193705_100000211634 [0,1,0,0,0,0|2,0,0]=3 828 B16R2.252 Oc1ccnc(c1)SCc2ccncc2 62a_100015193705_100000762945 [0,1,0,0,0,0|3,0,0]=4 829 B16R2.252 Oc1cncc(c1)SCc2ccncc2 62a_100000754920_100015193705 [0,1,0,0,0,0|3,0,0]=4 830 B16R2.252 Oc1cncc(c1)SCc2ccncc2 62a_100015193705_100000754920 [0,1,0,0,0,0|3,0,0]=4 831 B16R2.252 [O-][n+]1cccc(c1)SCc2ccncc2 62a_100015193705_100009815978 [0,1,0,0,0,0|3,0,0]=4 832 B16R2.252 [S]c1cccc(c1)SCc2ccccc2 62a_100000211182_114929384022 [0,1,0,0,0,0|3,0,0]=4 833 B16R2.252 [S]c1cccc(c1)SCc2ccccc2 62a_114929384022_100015291786 [0,1,0,0,0,0|3,0,0]=4 834 B16R2.252 [S]c1cccc(c1)SCc2ccncc2 62a_100015193705_114929384022 [0,1,0,0,0,0|2,0,0]=3 835 B16R2.252 [S]c1cccc(c1)SCc2ccncc2 62a_114929384022_100015193705 [0,1,0,0,0,0|2,0,0]=3 836 B14R2.6 c1cc(ccn1)Sc2ccncc2 62a_100000728582_100000728582 [0,0,0,0,1,0|0,0,0]=1 837 B14R2.6 c1cc(ccn1)Sc2ccncn2 62a_100000703185_100000728582 [0,0,0,0,1,0|1,0,0]=2 838 B14R2.6 c1cc(ccn1)Sc2ccncn2 62a_100000728582_100000703185 [0,0,0,0,1,0|1,0,0]=2 839 B14R2.6 c1cc(ccn1)Sc2ccnnc2 62a_100000728582_100000732662 [0,0,0,0,1,0|1,0,0]=2 840 B14R2.6 c1cc(ccn1)Sc2ccnnc2 62a_100000732662_100000728582 [0,0,0,0,1,0|1,0,0]=2 841 B14R2.6 c1cc(ccn1)Sc2cnccn2 62a_100000211759_100000728582 [0,0,0,0,1,0|3,0,0]=4 842 B14R2.6 c1cc(ccn1)Sc2cnccn2 62a_100000728582_100000211759 [0,0,0,0,1,0|3,0,0]=4 843 B14R2.6 c1cc(ccn1)Sc2cncnc2 62a_100000728582_100011206942 [0,0,0,0,1,0|3,0,0]=4 844 B14R2.6 c1cc(ccn1)Sc2cncnc2 62a_100011206942_100000728582 [0,0,0,0,1,0|3,0,0]=4 845 B14R2.6 c1cc(ccn1)Sc2cnnnc2 62a_100000728582_100009846058 [0,0,0,0,1,0|2,0,0]=3 846 B14R2.6 c1cc(ccn1)Sc2cnnnc2 62a_100009846058_100000728582 [0,0,0,0,1,0|2,0,0]=3 847 B14R2.6 c1cc(cnn1)Sc2ccnnc2 62a_100000732662_100000732662 [0,0,0,0,1,0|2,0,0]=3 848 B14R2.6 c1cc(cnn1)Sc2cnnnc2 62a_100000732662_100009846058 [0,0,0,0,1,0|3,0,0]=4 849 B14R2.6 c1cc(cnn1)Sc2cnnnc2 62a_100009846058_100000732662 [0,0,0,0,1,0|3,0,0]=4 850 B14R2.6 c1cc(ncn1)Sc2ccncn2 62a_100000703185_100000703185 [0,0,0,0,1,0|2,0,0]=3 851 B14R2.6 c1cc(ncn1)Sc2ccnnc2 62a_100000703185_100000732662 [0,0,0,0,1,0|2,0,0]=3 852 B14R2.6 c1cc(ncn1)Sc2ccnnc2 62a_100000732662_100000703185 [0,0,0,0,1,0|2,0,0]=3 853 B14R2.6 c1cc(ncn1)Sc2cnnnc2 62a_100000703185_100009846058 [0,0,0,0,1,0|3,0,0]=4 854 B14R2.6 c1cc(ncn1)Sc2cnnnc2 62a_100009846058_100000703185 [0,0,0,0,1,0|3,0,0]=4 855 B14R2.6 c1ccc(cc1)Nc2ccncn2 27a_100000106764_100000703185 [0,0,0,0,1,0|3,0,0]=4 856 B14R2.6 c1ccc(cc1)Sc2ccccc2 62a_100000719477_100000041952 [0,0,0,0,1,0|2,0,0]=3 857 B14R2.6 c1ccc(cc1)Sc2ccccn2 62a_100000719477_100011216584 [0,0,0,0,1,0|3,0,0]=4 858 B14R2.6 c1ccc(cc1)Sc2ccccn2 62a_100011216584_100000041952 [0,0,0,0,1,0|3,0,0]=4 859 B14R2.6 c1ccc(cc1)Sc2cccnc2 62a_100000210063_100000041952 [0,0,0,0,1,0|3,0,0]=4 860 B14R2.6 c1ccc(cc1)Sc2cccnc2 62a_100000719477_100000210063 [0,0,0,0,1,0|3,0,0]=4 861 B14R2.6 c1ccc(cc1)Sc2ccncc2 62a_100000719477_100000728582 [0,0,0,0,1,0|1,0,0]=2 862 B14R2.6 c1ccc(cc1)Sc2ccncc2 62a_100000728582_100000041952 [0,0,0,0,1,0|1,0,0]=2 863 B14R2.6 c1ccc(cc1)Sc2ccncn2 62a_100000703185_100000041952 [0,0,0,0,1,0|2,0,0]=3 864 B14R2.6 c1ccc(cc1)Sc2ccncn2 62a_100000719477_100000703185 [0,0,0,0,1,0|2,0,0]=3 865 B14R2.6 c1ccc(cc1)Sc2ccnnc2 62a_100000719477_100000732662 [0,0,0,0,1,0|2,0,0]=3 866 B14R2.6 c1ccc(cc1)Sc2ccnnc2 62a_100000732662_100000041952 [0,0,0,0,1,0|2,0,0]=3 867 B14R2.6 c1ccc(cc1)Sc2cnnnc2 62a_100000719477_100009846058 [0,0,0,0,1,0|3,0,0]=4 868 B14R2.6 c1ccc(cc1)Sc2cnnnc2 62a_100009846058_100000041952 [0,0,0,0,1,0|3,0,0]=4 869 B14R2.6 c1ccc(nc1)Sc2ccncc2 62a_100000728582_100011216584 [0,0,0,0,1,0|2,0,0]=3 870 B14R2.6 c1ccc(nc1)Sc2ccncc2 62a_100011216584_100000728582 [0,0,0,0,1,0|2,0,0]=3 871 B14R2.6 c1ccc(nc1)Sc2ccncn2 62a_100000703185_100011216584 [0,0,0,0,1,0|3,0,0]=4 872 B14R2.6 c1ccc(nc1)Sc2ccncn2 62a_100011216584_100000703185 [0,0,0,0,1,0|3,0,0]=4 873 B14R2.6 c1ccc(nc1)Sc2ccnnc2 62a_100000732662_100011216584 [0,0,0,0,1,0|3,0,0]=4 874 B14R2.6 c1ccc(nc1)Sc2ccnnc2 62a_100011216584_100000732662 [0,0,0,0,1,0|3,0,0]=4 875 B14R2.6 c1cnc(nc1)Sc2ccncc2 62a_100000211032_100000728582 [0,0,0,0,1,0|3,0,0]=4 876 B14R2.6 c1cnc(nc1)Sc2ccncc2 62a_100000728582_100000211032 [0,0,0,0,1,0|3,0,0]=4 877 B14R2.6 c1cncc(c1)Sc2ccncc2 62a_100000210063_100000728582 [0,0,0,0,1,0|2,0,0]=3 878 B14R2.6 c1cncc(c1)Sc2ccncc2 62a_100000728582_100000210063 [0,0,0,0,1,0|2,0,0]=3 879 B14R2.6 c1cncc(c1)Sc2ccncn2 62a_100000210063_100000703185 [0,0,0,0,1,0|3,0,0]=4 880 B14R2.6 c1cncc(c1)Sc2ccncn2 62a_100000703185_100000210063 [0,0,0,0,1,0|3,0,0]=4 881 B14R2.6 c1cncc(c1)Sc2ccnnc2 62a_100000210063_100000732662 [0,0,0,0,1,0|3,0,0]=4 882 B14R2.6 c1cncc(c1)Sc2ccnnc2 62a_100000732662_100000210063 [0,0,0,0,1,0|3,0,0]=4 883 B14R2.6 c1cnnc(c1)Sc2ccncc2 62a_100000728582_100016991348 [0,0,0,0,1,0|3,0,0]=4 884 B14R2.6 c1cnnc(c1)Sc2ccncc2 62a_100016991348_100000728582 [0,0,0,0,1,0|3,0,0]=4 885 B14R2.101 c1cc(ccn1)COc2ccsc2 7a_100000106738_100015193705 [0,0,0,0,1,0|2,1,0]=4 886 B14R2.101 c1cc(ccn1)CSc2c[nH]cn2 62a_100000756875_100015193705 [0,0,0,0,1,0|2,0,1]=4 887 B14R2.101 c1cc(ccn1)CSc2c[nH]cn2 62a_100015193705_100000756875 [0,0,0,0,1,0|2,0,1]=4 888 B14R2.101 c1cc(ccn1)CSc2c[nH]nn2 62a_100009819707_100015193705 [0,0,0,0,1,0|3,0,0]=4 889 B14R2.101 c1cc(ccn1)CSc2c[nH]nn2 62a_100015193705_100009819707 [0,0,0,0,1,0|3,0,0]=4 890 B14R2.101 c1cc(ccn1)CSc2cc[nH]n2 62a_100000062575_100015193705 [0,0,0,0,1,0|2,0,1]=4 891 B14R2.101 c1cc(ccn1)CSc2cc[nH]n2 62a_100015193705_100000062575 [0,0,0,0,1,0|2,0,1]=4 892 B14R2.101 c1cc(ccn1)CSc2ccoc2 62a_100011215275_100015193705 [0,0,0,0,1,0|2,0,0]=3 893 B14R2.101 c1cc(ccn1)CSc2ccoc2 62a_100015193705_100011215275 [0,0,0,0,1,0|2,0,0]=3 894 B14R2.101 c1cc(ccn1)CSc2ccon2 62a_100009818083_100015193705 [0,0,0,0,1,0|3,0,0]=4 895 B14R2.101 c1cc(ccn1)CSc2ccon2 62a_100015193705_100009818083 [0,0,0,0,1,0|3,0,0]=4 896 B14R2.101 c1cc(ccn1)CSc2ccsc2 62a_100000738268_100015193705 [0,0,0,0,1,0|2,0,0]=3 897 B14R2.101 c1cc(ccn1)CSc2ccsc2 62a_100015193705_100000738268 [0,0,0,0,1,0|2,0,0]=3 898 B14R2.101 c1cc(ccn1)CSc2ccsn2 62a_100009818082_100015193705 [0,0,0,0,1,0|3,0,0]=4 899 B14R2.101 c1cc(ccn1)CSc2ccsn2 62a_100015193705_100009818082 [0,0,0,0,1,0|3,0,0]=4 900 B14R2.101 c1cc(ccn1)CSc2cn[nH]c2 62a_100000238712_100015193705 [0,0,0,0,1,0|2,0,0]=3 901 B14R2.101 c1cc(ccn1)CSc2cn[nH]c2 62a_100015193705_100000238712 [0,0,0,0,1,0|2,0,0]=3 902 B14R2.101 c1cc(ccn1)CSc2cnco2 62a_100015193705_100020591547 [0,0,0,0,1,0|2,0,0]=3 903 B14R2.101 c1cc(ccn1)CSc2cnco2 62a_100020591547_100015193705 [0,0,0,0,1,0|2,0,0]=3 904 B14R2.101 c1cc(ccn1)CSc2cncs2 62a_100011934649_100015193705 [0,0,0,0,1,0|2,0,0]=3 905 B14R2.101 c1cc(ccn1)CSc2cncs2 62a_100015193705_100011934649 [0,0,0,0,1,0|2,0,0]=3 906 B14R2.101 c1cc(ccn1)CSc2cnoc2 62a_100009815712_100015193705 [0,0,0,0,1,0|2,0,0]=3 907 B14R2.101 c1cc(ccn1)CSc2cnoc2 62a_100015193705_100009815712 [0,0,0,0,1,0|2,0,0]=3 908 B14R2.101 c1cc(ccn1)CSc2cnsc2 62a_100009815736_100015193705 [0,0,0,0,1,0|2,0,0]=3 909 B14R2.101 c1cc(ccn1)CSc2cnsc2 62a_100015193705_100009815736 [0,0,0,0,1,0|2,0,0]=3 910 B14R2.101 c1cc(ccn1)CSc2cscn2 62a_100000751502_100015193705 [0,0,0,0,1,0|3,0,0]=4 911 B14R2.101 c1cc(ccn1)CSc2cscn2 62a_100015193705_100000751502 [0,0,0,0,1,0|3,0,0]=4 912 B14R2.101 c1cc(ccn1)CSc2ncc[nH]2 62a_100015193705_100025796157 [0,0,0,0,1,0|3,0,0]=4 913 B14R2.101 c1cc(ccn1)CSc2ncc[nH]2 62a_100025796157_100015193705 [0,0,0,0,1,0|3,0,0]=4 914 B14R2.101 c1cc(ccn1)CSc2ncco2 62a_100011787736_100015193705 [0,0,0,0,1,0|3,0,0]=4 915 B14R2.101 c1cc(ccn1)CSc2ncco2 62a_100015193705_100011787736 [0,0,0,0,1,0|3,0,0]=4 916 B14R2.101 c1cc(ccn1)CSc2nccs2 62a_100000211983_100015193705 [0,0,0,0,1,0|3,0,0]=4 917 B14R2.101 c1cc(ccn1)CSc2nccs2 62a_100015193705_100000211983 [0,0,0,0,1,0|3,0,0]=4 918 B14R2.101 c1cc(ccn1)CSc2ncns2 62a_100000693119_100015193705 [0,0,0,0,1,0|3,0,0]=4 919 B14R2.101 c1cc(ccn1)CSc2ncns2 62a_100015193705_100000693119 [0,0,0,0,1,0|3,0,0]=4 920 B14R2.101 c1cc(ccn1)CSc2nncs2 62a_100000739804_100015193705 [0,0,0,0,1,0|3,0,0]=4 921 B14R2.101 c1cc(ccn1)CSc2nncs2 62a_100015193705_100000739804 [0,0,0,0,1,0|3,0,0]=4 922 B14R2.101 c1cc(ccn1)OCc2ccn[nH]2 34a_100000212176_100000728653 [0,0,0,0,1,0|2,1,0]=4 923 B14R2.101 c1cc(ccn1)OCc2ccsc2 34a_100000212176_100011261437 [0,0,0,0,1,0|2,1,0]=4 924 B14R2.101 c1cc(ccn1)OCc2cncs2 34a_100000212176_100015185245 [0,0,0,0,1,0|2,1,0]=4 925 B14R2.101 c1cc(ccn1)SCc2c[nH]cn2 62a_100000707719_100000728582 [0,0,0,0,1,0|2,0,1]=4 926 B14R2.101 c1cc(ccn1)SCc2c[nH]cn2 62a_100000728582_100000707719 [0,0,0,0,1,0|2,0,1]=4 927 B14R2.101 c1cc(ccn1)SCc2ccn[nH]2 62a_100000728582_100000728653 [0,0,0,0,1,0|2,0,0]=3 928 B14R2.101 c1cc(ccn1)SCc2ccn[nH]2 62a_100000728653_100000728582 [0,0,0,0,1,0|2,0,0]=3 929 B14R2.101 c1cc(ccn1)SCc2ccon2 62a_100000234950_100000728582 [0,0,0,0,1,0|3,0,0]=4 930 B14R2.101 c1cc(ccn1)SCc2ccon2 62a_100000728582_100000234950 [0,0,0,0,1,0|3,0,0]=4 931 B14R2.101 c1cc(ccn1)SCc2ccsc2 62a_100000728582_100011233845 [0,0,0,0,1,0|2,0,0]=3 932 B14R2.101 c1cc(ccn1)SCc2ccsc2 62a_100011261437_100000728582 [0,0,0,0,1,0|2,0,0]=3 933 B14R2.101 c1cc(ccn1)SCc2cncs2 62a_100000728582_100015185245 [0,0,0,0,1,0|2,0,0]=3 934 B14R2.101 c1cc(ccn1)SCc2cncs2 62a_100015185245_100000728582 [0,0,0,0,1,0|2,0,0]=3 935 B14R2.101 c1cc(ccn1)SCc2cscn2 62a_100000205941_100000728582 [0,0,0,0,1,0|3,0,0]=4 936 B14R2.101 c1cc(ccn1)SCc2cscn2 62a_100000728582_100000205941 [0,0,0,0,1,0|3,0,0]=4 937 B14R2.101 c1cc(ccn1)SCc2ncc[nH]2 62a_100000728582_100016991755 [0,0,0,0,1,0|3,0,0]=4 938 B14R2.101 c1cc(ccn1)SCc2ncc[nH]2 62a_100016991755_100000728582 [0,0,0,0,1,0|3,0,0]=4 939 B14R2.101 c1cc(ccn1)SCc2ncco2 62a_100000728582_103436540062 [0,0,0,0,1,0|3,0,0]=4 940 B14R2.101 c1cc(ccn1)SCc2ncco2 62a_103436540062_100000728582 [0,0,0,0,1,0|3,0,0]=4 941 B14R2.101 c1cc(ccn1)SCc2nccs2 62a_100000728582_100015184050 [0,0,0,0,1,0|3,0,0]=4 942 B14R2.101 c1cc(ccn1)SCc2nccs2 62a_100015184050_100000728582 [0,0,0,0,1,0|3,0,0]=4 943 B14R2.101 c1cc(ccn1)SCn2cncn2 62a_100000728582_200020645497 [0,0,0,0,1,0|3,0,0]=4 944 B14R2.101 c1cc(ccn1)SCn2cncn2 62a_200020645497_100000728582 [0,0,0,0,1,0|3,0,0]=4 945 B14R2.101 c1cc(cnn1)SCc2ccn[nH]2 62a_100000728653_100000732662 [0,0,0,0,1,0|3,0,0]=4 946 B14R2.101 c1cc(cnn1)SCc2ccn[nH]2 62a_100000732662_100000728653 [0,0,0,0,1,0|3,0,0]=4 947 B14R2.101 c1cc(cnn1)SCc2ccsc2 62a_100000732662_100011233845 [0,0,0,0,1,0|3,0,0]=4 948 B14R2.101 c1cc(cnn1)SCc2ccsc2 62a_100011261437_100000732662 [0,0,0,0,1,0|3,0,0]=4 949 B14R2.101 c1cc(cnn1)SCc2cncs2 62a_100000732662_100015185245 [0,0,0,0,1,0|3,0,0]=4 950 B14R2.101 c1cc(cnn1)SCc2cncs2 62a_100015185245_100000732662 [0,0,0,0,1,0|3,0,0]=4 951 B14R2.101 c1cc(ncn1)SCc2ccn[nH]2 62a_100000703185_100000728653 [0,0,0,0,1,0|3,0,0]=4 952 B14R2.101 c1cc(ncn1)SCc2ccn[nH]2 62a_100000728653_100000703185 [0,0,0,0,1,0|3,0,0]=4 953 B14R2.101 c1cc(ncn1)SCc2ccsc2 62a_100000703185_100011233845 [0,0,0,0,1,0|3,0,0]=4 954 B14R2.101 c1cc(ncn1)SCc2ccsc2 62a_100011261437_100000703185 [0,0,0,0,1,0|3,0,0]=4 955 B14R2.101 c1cc(ncn1)SCc2cncs2 62a_100000703185_100015185245 [0,0,0,0,1,0|3,0,0]=4 956 B14R2.101 c1cc(ncn1)SCc2cncs2 62a_100015185245_100000703185 [0,0,0,0,1,0|3,0,0]=4 957 B14R2.101 c1ccc(cc1)CSc2ccco2 62a_100000211182_100009814098 [0,0,0,0,1,0|3,0,0]=4 958 B14R2.101 c1ccc(cc1)CSc2ccco2 62a_100009814098_100015291786 [0,0,0,0,1,0|3,0,0]=4 959 B14R2.101 c1ccc(cc1)CSc2cccs2 62a_100000211182_100011215356 [0,0,0,0,1,0|3,0,0]=4 960 B14R2.101 c1ccc(cc1)CSc2cccs2 62a_100011215356_100015291786 [0,0,0,0,1,0|3,0,0]=4 961 B14R2.101 c1ccc(cc1)CSc2ccoc2 62a_100000211182_100011215275 [0,0,0,0,1,0|3,0,0]=4 962 B14R2.101 c1ccc(cc1)CSc2ccoc2 62a_100011215275_100015291786 [0,0,0,0,1,0|3,0,0]=4 963 B14R2.101 c1ccc(cc1)CSc2ccsc2 62a_100000211182_100000738268 [0,0,0,0,1,0|3,0,0]=4 964 B14R2.101 c1ccc(cc1)CSc2ccsc2 62a_100000738268_100015291786 [0,0,0,0,1,0|3,0,0]=4 965 B14R2.101 c1ccc(cc1)CSc2cn[nH]c2 62a_100000211182_100000238712 [0,0,0,0,1,0|3,0,0]=4 966 B14R2.101 c1ccc(cc1)CSc2cn[nH]c2 62a_100000238712_100015291786 [0,0,0,0,1,0|3,0,0]=4 967 B14R2.101 c1ccc(cc1)CSc2cnco2 62a_100000211182_100020591547 [0,0,0,0,1,0|3,0,0]=4 968 B14R2.101 c1ccc(cc1)CSc2cnco2 62a_100020591547_100015291786 [0,0,0,0,1,0|3,0,0]=4 969 B14R2.101 c1ccc(cc1)CSc2cncs2 62a_100000211182_100011934649 [0,0,0,0,1,0|3,0,0]=4 970 B14R2.101 c1ccc(cc1)CSc2cncs2 62a_100011934649_100015291786 [0,0,0,0,1,0|3,0,0]=4 971 B14R2.101 c1ccc(cc1)CSc2cnoc2 62a_100000211182_100009815712 [0,0,0,0,1,0|3,0,0]=4 972 B14R2.101 c1ccc(cc1)CSc2cnoc2 62a_100009815712_100015291786 [0,0,0,0,1,0|3,0,0]=4 973 B14R2.101 c1ccc(cc1)CSc2cnsc2 62a_100000211182_100009815736 [0,0,0,0,1,0|3,0,0]=4 974 B14R2.101 c1ccc(cc1)CSc2cnsc2 62a_100009815736_100015291786 [0,0,0,0,1,0|3,0,0]=4 975 B14R2.101 c1ccc(cc1)SCc2ccn[nH]2 62a_100000719477_100000728653 [0,0,0,0,1,0|3,0,0]=4 976 B14R2.101 c1ccc(cc1)SCc2ccn[nH]2 62a_100000728653_100000041952 [0,0,0,0,1,0|3,0,0]=4 977 B14R2.101 c1ccc(cc1)SCc2ccsc2 62a_100000719477_100011233845 [0,0,0,0,1,0|3,0,0]=4 978 B14R2.101 c1ccc(cc1)SCc2ccsc2 62a_100011261437_100000041952 [0,0,0,0,1,0|3,0,0]=4 979 B14R2.101 c1ccc(cc1)SCc2cncs2 62a_100000719477_100015185245 [0,0,0,0,1,0|3,0,0]=4 980 B14R2.101 c1ccc(cc1)SCc2cncs2 62a_100015185245_100000041952 [0,0,0,0,1,0|3,0,0]=4 981 B14R2.101 c1coc(c1)SCc2ccncc2 62a_100009814098_100015193705 [0,0,0,0,1,0|2,0,0]=3 982 B14R2.101 c1coc(c1)SCc2ccncc2 62a_100015193705_100009814098 [0,0,0,0,1,0|2,0,0]=3 983 B14R2.101 c1csc(c1)SCc2ccncc2 62a_100011215356_100015193705 [0,0,0,0,1,0|2,0,0]=3 984 B14R2.101 c1csc(c1)SCc2ccncc2 62a_100015193705_100011215356 [0,0,0,0,1,0|2,0,0]=3 985 B16R2.2256 C(=Cc1ccncc1)Cc2ccccc2 271570a_200016263579_100000035832 [0,0,0,0,0,1|3,0,0]=4 986 B16R2.2256 C(=NNc1ccccc1)c2ccncc2 4a_100015195140_100000186114 [0,0,0,0,0,1|3,0,0]=4 987 B16R2.2256 C(=NNc1ccncc1)c2ccccc2 4a_100000698918_100015611070 [0,0,0,0,0,1|3,0,0]=4 988 B16R2.2256 C(=NNc1ccncc1)c2ccncc2 4a_100000698918_100000186114 [0,0,0,0,0,1|2,0,0]=3 989 B16R2.2256 C(=NNc1ccncc1)c2ccncn2 4a_100000698918_100011744739 [0,0,0,0,0,1|3,0,0]=4 990 B16R2.2256 C(=NNc1ccncc1)c2ccnnc2 4a_100000698918_100011934578 [0,0,0,0,0,1|3,0,0]=4 991 B16R2.2256 C(=NNc1ccncn1)c2ccncc2 4a_100011438088_100000186114 [0,0,0,0,0,1|3,0,0]=4 992 B16R2.2256 c1cc(ccn1)CCNc2ccncn2 27a_100000742849_100000703185 [0,0,0,0,0,1|3,0,0]=4 993 B16R2.2256 c1cc(ccn1)CCSc2ccncc2 62a_100000723409_100000728582 [0,0,0,0,0,1|1,0,0]=2 994 B16R2.2256 c1cc(ccn1)CCSc2ccncc2 62a_100000728582_100000723409 [0,0,0,0,0,1|1,0,0]=2 995 B16R2.2256 c1cc(ccn1)CCSc2ccncn2 62a_100000703185_100000723409 [0,0,0,0,0,1|2,0,0]=3 996 B16R2.2256 c1cc(ccn1)CCSc2ccncn2 62a_100000723409_100000703185 [0,0,0,0,0,1|2,0,0]=3 997 B16R2.2256 c1cc(ccn1)CCSc2ccnnc2 62a_100000723409_100000732662 [0,0,0,0,0,1|2,0,0]=3 998 B16R2.2256 c1cc(ccn1)CCSc2ccnnc2 62a_100000732662_100000723409 [0,0,0,0,0,1|2,0,0]=3 999 B16R2.2256 c1cc(ccn1)CCSc2cnnnc2 62a_100000723409_100009846058 [0,0,0,0,0,1|3,0,0]=4 1000 B16R2.2256 c1cc(ccn1)CCSc2cnnnc2 62a_100009846058_100000723409 [0,0,0,0,0,1|3,0,0]=4 1001 B16R2.2256 c1cc(ccn1)CSCc2ccncc2 62a_100015193705_100015193705 [0,0,0,0,0,1|1,0,0]=2 1002 B16R2.2256 c1ccc(cc1)CCOc2ccncc2 34a_100000212176_100000765856 [0,0,0,0,0,1|2,1,0]=4 1003 B16R2.2256 c1ccc(cc1)CCSc2ccccc2 62a_100000719477_100011218657 [0,0,0,0,0,1|3,0,0]=4 1004 B16R2.2256 c1ccc(cc1)CCSc2ccccc2 62a_100000765856_100000041952 [0,0,0,0,0,1|3,0,0]=4 1005 B16R2.2256 c1ccc(cc1)CCSc2ccncc2 62a_100000728582_100011218657 [0,0,0,0,0,1|2,0,0]=3 1006 B16R2.2256 c1ccc(cc1)CCSc2ccncc2 62a_100000765856_100000728582 [0,0,0,0,0,1|2,0,0]=3 1007 B16R2.2256 c1ccc(cc1)CCSc2ccncn2 62a_100000703185_100011218657 [0,0,0,0,0,1|3,0,0]=4 1008 B16R2.2256 c1ccc(cc1)CCSc2ccncn2 62a_100000765856_100000703185 [0,0,0,0,0,1|3,0,0]=4 1009 B16R2.2256 c1ccc(cc1)CCSc2ccnnc2 62a_100000732662_100011218657 [0,0,0,0,0,1|3,0,0]=4 1010 B16R2.2256 c1ccc(cc1)CCSc2ccnnc2 62a_100000765856_100000732662 [0,0,0,0,0,1|3,0,0]=4 1011 B16R2.2256 c1ccc(cc1)CNCc2ccncc2 207a_100015324214_100000186114 [0,0,0,0,0,1|3,0,0]=4 1012 B16R2.2256 c1ccc(cc1)CNCc2ccncc2 2230a_100015324214_100015193705 [0,0,0,0,0,1|3,0,0]=4 1013 B16R2.2256 c1ccc(cc1)COCc2ccncc2 7a_100000210790_100015193705 [0,0,0,0,0,1|2,1,0]=4 1014 B16R2.2256 c1ccc(cc1)CSCc2ccccc2 62a_100000211182_100015291786 [0,0,0,0,0,1|3,0,0]=4 1015 B16R2.2256 c1ccc(cc1)CSCc2ccncc2 62a_100000211182_100015193705 [0,0,0,0,0,1|2,0,0]=3 1016 B16R2.2256 c1ccc(cc1)CSCc2ccncc2 62a_100015193705_100015291786 [0,0,0,0,0,1|2,0,0]=3 1017 B16R2.2256 c1ccc(cc1)OCCc2ccncc2 7a_100000210340_100000723409 [0,0,0,0,0,1|2,1,0]=4 1018 B16R2.2256 c1ccc(cc1)SCCc2ccncc2 62a_100000719477_100000723409 [0,0,0,0,0,1|2,0,0]=3 1019 B16R2.2256 c1ccc(cc1)SCCc2ccncc2 62a_100000723409_100000041952 [0,0,0,0,0,1|2,0,0]=3 1020 B16R2.2256 c1ccc(cc1)SCSc2ccccc2 62a_100000719477_100011218342 [0,0,0,0,0,1|2,0,0]=3 1021 B16R2.2256 c1ccc(cc1)SCSc2ccccc2 62a_100011218342_100000041952 [0,0,0,0,0,1|2,0,0]=3 1022 B16R2.2256 c1ccc(cc1)SCSc2ccccn2 62a_100011216584_100011218342 [0,0,0,0,0,1|3,0,0]=4 1023 B16R2.2256 c1ccc(cc1)SCSc2ccccn2 62a_100011218342_100011216584 [0,0,0,0,0,1|3,0,0]=4 1024 B16R2.2256 c1ccc(cc1)SCSc2cccnc2 62a_100000210063_100011218342 [0,0,0,0,0,1|3,0,0]=4 1025 B16R2.2256 c1ccc(cc1)SCSc2cccnc2 62a_100011218342_100000210063 [0,0,0,0,0,1|3,0,0]=4 1026 B16R2.2256 c1ccc(cc1)SCSc2ccncc2 62a_100000728582_100011218342 [0,0,0,0,0,1|1,0,0]=2 1027 B16R2.2256 c1ccc(cc1)SCSc2ccncc2 62a_100011218342_100000728582 [0,0,0,0,0,1|1,0,0]=2 1028 B16R2.2256 c1ccc(cc1)SCSc2ccncn2 62a_100000703185_100011218342 [0,0,0,0,0,1|2,0,0]=3 1029 B16R2.2256 c1ccc(cc1)SCSc2ccncn2 62a_100011218342_100000703185 [0,0,0,0,0,1|2,0,0]=3 1030 B16R2.2256 c1ccc(cc1)SCSc2ccnnc2 62a_100000732662_100011218342 [0,0,0,0,0,1|2,0,0]=3 1031 B16R2.2256 c1ccc(cc1)SCSc2ccnnc2 62a_100011218342_100000732662 [0,0,0,0,0,1|2,0,0]=3 1032 B16R2.2256 c1ccc(cc1)SCSc2cnnnc2 62a_100009846058_100011218342 [0,0,0,0,0,1|3,0,0]=4 1033 B16R2.2256 c1ccc(cc1)SCSc2cnnnc2 62a_100011218342_100009846058 [0,0,0,0,0,1|3,0,0]=4 1034 B16R2.2256 c1ccc(nc1)CCSc2ccncc2 62a_100000728582_100015183660 [0,0,0,0,0,1|3,0,0]=4 1035 B16R2.2256 c1ccc(nc1)CCSc2ccncc2 62a_100015183660_100000728582 [0,0,0,0,0,1|3,0,0]=4 1036 B16R2.2256 c1ccc(nc1)CSCc2ccncc2 62a_100000721315_100015193705 [0,0,0,0,0,1|3,0,0]=4 1037 B16R2.2256 c1ccc(nc1)CSCc2ccncc2 62a_100015193705_100000721315 [0,0,0,0,0,1|3,0,0]=4 1038 B16R2.2256 c1ccc(nc1)SCCc2ccncc2 62a_100000723409_100011216584 [0,0,0,0,0,1|3,0,0]=4 1039 B16R2.2256 c1ccc(nc1)SCCc2ccncc2 62a_100011216584_100000723409 [0,0,0,0,0,1|3,0,0]=4 1040 B16R2.2256 c1cncc(c1)CCSc2ccncc2 62a_100000728582_200011713674 [0,0,0,0,0,1|3,0,0]=4 1041 B16R2.2256 c1cncc(c1)CCSc2ccncc2 62a_200011713674_100000728582 [0,0,0,0,0,1|3,0,0]=4 1042 B16R2.2256 c1cncc(c1)CSCc2ccncc2 62a_100000741622_100015193705 [0,0,0,0,0,1|3,0,0]=4 1043 B16R2.2256 c1cncc(c1)CSCc2ccncc2 62a_100015193705_100000741622 [0,0,0,0,0,1|3,0,0]=4 1044 B16R2.2256 c1cncc(c1)SCCc2ccncc2 62a_100000210063_100000723409 [0,0,0,0,0,1|3,0,0]=4 1045 B16R2.2256 c1cncc(c1)SCCc2ccncc2 62a_100000723409_100000210063 [0,0,0,0,0,1|3,0,0]=4 1046 B15R2.29 Brc1ccc(cc1)Sc2ccccc2 62a_100000719477_100000752885 [0,1,0,0,1,0|2,0,0]=4 1047 B15R2.29 Brc1ccc(cc1)Sc2ccccc2 62a_100000752885_100000041952 [0,1,0,0,1,0|2,0,0]=4 1048 B15R2.29 Brc1ccc(cc1)Sc2ccncc2 62a_100000728582_100000752885 [0,1,0,0,1,0|1,0,0]=3 1049 B15R2.29 Brc1ccc(cc1)Sc2ccncc2 62a_100000752885_100000728582 [0,1,0,0,1,0|1,0,0]=3 1050 B15R2.29 Brc1ccc(cc1)Sc2ccncn2 62a_100000703185_100000752885 [0,1,0,0,1,0|2,0,0]=4 1051 B15R2.29 Brc1ccc(cc1)Sc2ccncn2 62a_100000752885_100000703185 [0,1,0,0,1,0|2,0,0]=4 1052 B15R2.29 Brc1ccc(cc1)Sc2ccnnc2 62a_100000732662_100000752885 [0,1,0,0,1,0|2,0,0]=4 1053 B15R2.29 Brc1ccc(cc1)Sc2ccnnc2 62a_100000752885_100000732662 [0,1,0,0,1,0|2,0,0]=4 1054 B15R2.29 Brc1ccc(cn1)Sc2ccncc2 62a_100000728582_100009814638 [0,1,0,0,1,0|2,0,0]=4 1055 B15R2.29 Brc1ccc(cn1)Sc2ccncc2 62a_100009814638_100000728582 [0,1,0,0,1,0|2,0,0]=4 1056 B15R2.29 Brc1ccc(nc1)Sc2ccncc2 62a_100000686858_100000728582 [0,1,0,0,1,0|2,0,0]=4 1057 B15R2.29 Brc1ccc(nc1)Sc2ccncc2 62a_100000728582_100000686858 [0,1,0,0,1,0|2,0,0]=4 1058 B15R2.29 Cc1ccc(cc1)Sc2ccccc2 62a_100000186775_100000041952 [0,1,0,0,1,0|2,0,0]=4 1059 B15R2.29 Cc1ccc(cc1)Sc2ccccc2 62a_100000719477_100000186775 [0,1,0,0,1,0|2,0,0]=4 1060 B15R2.29 Cc1ccc(cc1)Sc2ccncc2 62a_100000186775_100000728582 [0,1,0,0,1,0|1,0,0]=3 1061 B15R2.29 Cc1ccc(cc1)Sc2ccncc2 62a_100000728582_100000186775 [0,1,0,0,1,0|1,0,0]=3 1062 B15R2.29 Cc1ccc(cc1)Sc2ccncn2 62a_100000186775_100000703185 [0,1,0,0,1,0|2,0,0]=4 1063 B15R2.29 Cc1ccc(cc1)Sc2ccncn2 62a_100000703185_100000186775 [0,1,0,0,1,0|2,0,0]=4 1064 B15R2.29 Cc1ccc(cc1)Sc2ccnnc2 62a_100000186775_100000732662 [0,1,0,0,1,0|2,0,0]=4 1065 B15R2.29 Cc1ccc(cc1)Sc2ccnnc2 62a_100000732662_100000186775 [0,1,0,0,1,0|2,0,0]=4 1066 B15R2.29 Cc1ccc(cn1)Sc2ccncc2 62a_100000728582_100000751577 [0,1,0,0,1,0|2,0,0]=4 1067 B15R2.29 Cc1ccc(cn1)Sc2ccncc2 62a_100000751577_100000728582 [0,1,0,0,1,0|2,0,0]=4 1068 B15R2.29 Cc1ccc(nc1)Sc2ccncc2 62a_100000728582_100000754016 [0,1,0,0,1,0|2,0,0]=4 1069 B15R2.29 Cc1ccc(nc1)Sc2ccncc2 62a_100011192072_100000728582 [0,1,0,0,1,0|2,0,0]=4 1070 B15R2.29 Clc1ccc(cc1)Sc2ccccc2 62a_100000719477_100000755918 [0,1,0,0,1,0|2,0,0]=4 1071 B15R2.29 Clc1ccc(cc1)Sc2ccccc2 62a_100000755918_100000041952 [0,1,0,0,1,0|2,0,0]=4 1072 B15R2.29 Clc1ccc(cc1)Sc2ccncc2 62a_100000728582_100000755918 [0,1,0,0,1,0|1,0,0]=3 1073 B15R2.29 Clc1ccc(cc1)Sc2ccncc2 62a_100000755918_100000728582 [0,1,0,0,1,0|1,0,0]=3 1074 B15R2.29 Clc1ccc(cc1)Sc2ccncn2 62a_100000703185_100000755918 [0,1,0,0,1,0|2,0,0]=4 1075 B15R2.29 Clc1ccc(cc1)Sc2ccncn2 62a_100000755918_100000703185 [0,1,0,0,1,0|2,0,0]=4 1076 B15R2.29 Clc1ccc(cc1)Sc2ccnnc2 62a_100000732662_100000755918 [0,1,0,0,1,0|2,0,0]=4 1077 B15R2.29 Clc1ccc(cc1)Sc2ccnnc2 62a_100000755918_100000732662 [0,1,0,0,1,0|2,0,0]=4 1078 B15R2.29 Clc1ccc(cn1)Sc2ccncc2 62a_100000034144_100000728582 [0,1,0,0,1,0|2,0,0]=4 1079 B15R2.29 Clc1ccc(cn1)Sc2ccncc2 62a_100000728582_100000034144 [0,1,0,0,1,0|2,0,0]=4 1080 B15R2.29 Clc1ccc(nc1)Sc2ccncc2 62a_100000728582_100011356976 [0,1,0,0,1,0|2,0,0]=4 1081 B15R2.29 Clc1ccc(nc1)Sc2ccncc2 62a_100011356976_100000728582 [0,1,0,0,1,0|2,0,0]=4 1082 B15R2.29 Fc1ccc(cc1)Sc2ccccc2 62a_100000211213_100000041952 [0,1,0,0,1,0|2,0,0]=4 1083 B15R2.29 Fc1ccc(cc1)Sc2ccccc2 62a_100000719477_100000211213 [0,1,0,0,1,0|2,0,0]=4 1084 B15R2.29 Fc1ccc(cc1)Sc2ccncc2 62a_100000211213_100000728582 [0,1,0,0,1,0|1,0,0]=3 1085 B15R2.29 Fc1ccc(cc1)Sc2ccncc2 62a_100000728582_100000211213 [0,1,0,0,1,0|1,0,0]=3 1086 B15R2.29 Fc1ccc(cc1)Sc2ccncn2 62a_100000211213_100000703185 [0,1,0,0,1,0|2,0,0]=4 1087 B15R2.29 Fc1ccc(cc1)Sc2ccncn2 62a_100000703185_100000211213 [0,1,0,0,1,0|2,0,0]=4 1088 B15R2.29 Fc1ccc(cc1)Sc2ccnnc2 62a_100000211213_100000732662 [0,1,0,0,1,0|2,0,0]=4 1089 B15R2.29 Fc1ccc(cc1)Sc2ccnnc2 62a_100000732662_100000211213 [0,1,0,0,1,0|2,0,0]=4 1090 B15R2.29 Fc1ccc(cn1)Sc2ccncc2 62a_100000042367_100000728582 [0,1,0,0,1,0|2,0,0]=4 1091 B15R2.29 Fc1ccc(cn1)Sc2ccncc2 62a_100000728582_100000042367 [0,1,0,0,1,0|2,0,0]=4 1092 B15R2.29 Fc1ccc(nc1)Sc2ccncc2 62a_100000728582_100000744514 [0,1,0,0,1,0|2,0,0]=4 1093 B15R2.29 Fc1ccc(nc1)Sc2ccncc2 62a_100000744514_100000728582 [0,1,0,0,1,0|2,0,0]=4 1094 B15R2.29 Nc1ccc(cc1)Sc2ccccc2 62a_100000185761_100000041952 [0,1,0,0,1,0|2,0,0]=4 1095 B15R2.29 Nc1ccc(cc1)Sc2ccccc2 62a_100000719477_100000185761 [0,1,0,0,1,0|2,0,0]=4 1096 B15R2.29 Nc1ccc(cc1)Sc2ccncc2 62a_100000185761_100000728582 [0,1,0,0,1,0|1,0,0]=3 1097 B15R2.29 Nc1ccc(cc1)Sc2ccncc2 62a_100000728582_100000185761 [0,1,0,0,1,0|1,0,0]=3 1098 B15R2.29 Nc1ccc(cc1)Sc2ccncn2 62a_100000185761_100000703185 [0,1,0,0,1,0|2,0,0]=4 1099 B15R2.29 Nc1ccc(cc1)Sc2ccncn2 62a_100000703185_100000185761 [0,1,0,0,1,0|2,0,0]=4 1100 B15R2.29 Nc1ccc(cc1)Sc2ccnnc2 62a_100000185761_100000732662 [0,1,0,0,1,0|2,0,0]=4 1101 B15R2.29 Nc1ccc(cc1)Sc2ccnnc2 62a_100000732662_100000185761 [0,1,0,0,1,0|2,0,0]=4 1102 B15R2.29 Nc1ccc(cn1)Sc2ccncc2 62a_100000187370_100000728582 [0,1,0,0,1,0|2,0,0]=4 1103 B15R2.29 Nc1ccc(cn1)Sc2ccncc2 62a_100000728582_100000187370 [0,1,0,0,1,0|2,0,0]=4 1104 B15R2.29 Nc1ccc(nc1)Sc2ccncc2 62a_100000728582_100000737798 [0,1,0,0,1,0|2,0,0]=4 1105 B15R2.29 Nc1ccc(nc1)Sc2ccncc2 62a_100000737798_100000728582 [0,1,0,0,1,0|2,0,0]=4 1106 B15R2.29 O=c1ccc(c[nH]1)Sc2ccncc2 62a_100000212171_100000728582 [0,1,0,0,1,0|2,0,0]=4 1107 B15R2.29 O=c1ccc(c[nH]1)Sc2ccncc2 62a_100000728582_100000212171 [0,1,0,0,1,0|2,0,0]=4 1108 B15R2.29 Oc1ccc(cc1)Sc2ccccc2 62a_100000719477_100000185759 [0,1,0,0,1,0|2,0,0]=4 1109 B15R2.29 Oc1ccc(cc1)Sc2ccncc2 62a_100000728582_100000185759 [0,1,0,0,1,0|1,0,0]=3 1110 B15R2.29 Oc1ccc(cc1)Sc2ccncn2 62a_100000703185_100000185759 [0,1,0,0,1,0|2,0,0]=4 1111 B15R2.29 Oc1ccc(cc1)Sc2ccnnc2 62a_100000732662_100000185759 [0,1,0,0,1,0|2,0,0]=4 1112 B15R2.29 Oc1ccc(nc1)Sc2ccncc2 62a_100000685995_100000728582 [0,1,0,0,1,0|2,0,0]=4 1113 B15R2.29 Oc1ccc(nc1)Sc2ccncc2 62a_100000728582_100000744096 [0,1,0,0,1,0|2,0,0]=4 1114 B15R2.29 [O-][n+]1ccc(cc1)Sc2ccccc2 62a_100000719477_100000039755 [0,1,0,0,1,0|1,0,1]=4 1115 B15R2.29 [O-][n+]1ccc(cc1)Sc2ccncc2 62a_100000728582_100000039755 [0,1,0,0,1,0|0,0,1]=3 1116 B15R2.29 [O-][n+]1ccc(cc1)Sc2ccncn2 62a_100000703185_100000039755 [0,1,0,0,1,0|1,0,1]=4 1117 B15R2.29 [O-][n+]1ccc(cc1)Sc2ccnnc2 62a_100000732662_100000039755 [0,1,0,0,1,0|1,0,1]=4 1118 B15R2.31 Brc1cc(ccn1)Sc2ccccc2 62a_100000719477_100009814637 [0,1,0,0,1,0|1,0,0]=3 1119 B15R2.31 Brc1cc(ccn1)Sc2ccccc2 62a_100009814637_100000041952 [0,1,0,0,1,0|1,0,0]=3 1120 B15R2.31 Brc1cc(ccn1)Sc2ccccn2 62a_100009814637_100011216584 [0,1,0,0,1,0|2,0,0]=4 1121 B15R2.31 Brc1cc(ccn1)Sc2ccccn2 62a_100011216584_100009814637 [0,1,0,0,1,0|2,0,0]=4 1122 B15R2.31 Brc1cc(ccn1)Sc2cccnc2 62a_100000210063_100009814637 [0,1,0,0,1,0|2,0,0]=4 1123 B15R2.31 Brc1cc(ccn1)Sc2cccnc2 62a_100009814637_100000210063 [0,1,0,0,1,0|2,0,0]=4 1124 B15R2.31 Brc1cc(ccn1)Sc2ccncc2 62a_100000728582_100009814637 [0,1,0,0,1,0|0,0,0]=2 1125 B15R2.31 Brc1cc(ccn1)Sc2ccncc2 62a_100009814637_100000728582 [0,1,0,0,1,0|0,0,0]=2 1126 B15R2.31 Brc1cc(ccn1)Sc2ccncn2 62a_100000703185_100009814637 [0,1,0,0,1,0|1,0,0]=3 1127 B15R2.31 Brc1cc(ccn1)Sc2ccncn2 62a_100009814637_100000703185 [0,1,0,0,1,0|1,0,0]=3 1128 B15R2.31 Brc1cc(ccn1)Sc2ccnnc2 62a_100000732662_100009814637 [0,1,0,0,1,0|1,0,0]=3 1129 B15R2.31 Brc1cc(ccn1)Sc2ccnnc2 62a_100009814637_100000732662 [0,1,0,0,1,0|1,0,0]=3 1130 B15R2.31 Brc1cc(ccn1)Sc2cnnnc2 62a_100009814637_100009846058 [0,1,0,0,1,0|2,0,0]=4 1131 B15R2.31 Brc1cc(ccn1)Sc2cnnnc2 62a_100009846058_100009814637 [0,1,0,0,1,0|2,0,0]=4 1132 B15R2.31 Brc1cccc(c1)Sc2ccccc2 62a_100000691529_100000041952 [0,1,0,0,1,0|2,0,0]=4 1133 B15R2.31 Brc1cccc(c1)Sc2ccccc2 62a_100000719477_100000691529 [0,1,0,0,1,0|2,0,0]=4 1134 B15R2.31 Brc1cccc(c1)Sc2ccncc2 62a_100000691529_100000728582 [0,1,0,0,1,0|1,0,0]=3 1135 B15R2.31 Brc1cccc(c1)Sc2ccncc2 62a_100000728582_100000691529 [0,1,0,0,1,0|1,0,0]=3 1136 B15R2.31 Brc1cccc(c1)Sc2ccncn2 62a_100000691529_100000703185 [0,1,0,0,1,0|2,0,0]=4 1137 B15R2.31 Brc1cccc(c1)Sc2ccncn2 62a_100000703185_100000691529 [0,1,0,0,1,0|2,0,0]=4 1138 B15R2.31 Brc1cccc(c1)Sc2ccnnc2 62a_100000691529_100000732662 [0,1,0,0,1,0|2,0,0]=4 1139 B15R2.31 Brc1cccc(c1)Sc2ccnnc2 62a_100000732662_100000691529 [0,1,0,0,1,0|2,0,0]=4 1140 B15R2.31 Brc1cccc(n1)Sc2ccncc2 62a_100000684672_100000728582 [0,1,0,0,1,0|2,0,0]=4 1141 B15R2.31 Brc1cccc(n1)Sc2ccncc2 62a_100000728582_100000684672 [0,1,0,0,1,0|2,0,0]=4 1142 B15R2.31 Brc1cncc(c1)Sc2ccncc2 62a_100000728054_100000728582 [0,1,0,0,1,0|2,0,0]=4 1143 B15R2.31 Brc1cncc(c1)Sc2ccncc2 62a_100000728582_100000728054 [0,1,0,0,1,0|2,0,0]=4 1144 B15R2.31 C[n+]1cccc(c1)Sc2ccncc2 62a_100000728582_100009996589 [0,1,0,0,1,0|2,0,0]=4 1145 B15R2.31 C[n+]1cccc(c1)Sc2ccncc2 62a_100009996589_100000728582 [0,1,0,0,1,0|2,0,0]=4 1146 B15R2.31 Cc1cc(ccn1)Nc2ccccc2 27a_100000106764_100000758586 [0,1,0,0,1,0|2,0,0]=4 1147 B15R2.31 Cc1cc(ccn1)Sc2ccccc2 62a_100000719477_100000758586 [0,1,0,0,1,0|1,0,0]=3 1148 B15R2.31 Cc1cc(ccn1)Sc2ccccc2 62a_100000758586_100000041952 [0,1,0,0,1,0|1,0,0]=3 1149 B15R2.31 Cc1cc(ccn1)Sc2ccccn2 62a_100000758586_100011216584 [0,1,0,0,1,0|2,0,0]=4 1150 B15R2.31 Cc1cc(ccn1)Sc2ccccn2 62a_100011216584_100000758586 [0,1,0,0,1,0|2,0,0]=4 1151 B15R2.31 Cc1cc(ccn1)Sc2cccnc2 62a_100000210063_100000758586 [0,1,0,0,1,0|2,0,0]=4 1152 B15R2.31 Cc1cc(ccn1)Sc2cccnc2 62a_100000758586_100000210063 [0,1,0,0,1,0|2,0,0]=4 1153 B15R2.31 Cc1cc(ccn1)Sc2ccncc2 62a_100000728582_100000758586 [0,1,0,0,1,0|0,0,0]=2 1154 B15R2.31 Cc1cc(ccn1)Sc2ccncc2 62a_100000758586_100000728582 [0,1,0,0,1,0|0,0,0]=2 1155 B15R2.31 Cc1cc(ccn1)Sc2ccncn2 62a_100000703185_100000758586 [0,1,0,0,1,0|1,0,0]=3 1156 B15R2.31 Cc1cc(ccn1)Sc2ccncn2 62a_100000758586_100000703185 [0,1,0,0,1,0|1,0,0]=3 1157 B15R2.31 Cc1cc(ccn1)Sc2ccnnc2 62a_100000732662_100000758586 [0,1,0,0,1,0|1,0,0]=3 1158 B15R2.31 Cc1cc(ccn1)Sc2ccnnc2 62a_100000758586_100000732662 [0,1,0,0,1,0|1,0,0]=3 1159 B15R2.31 Cc1cc(ccn1)Sc2cnnnc2 62a_100000758586_100009846058 [0,1,0,0,1,0|2,0,0]=4 1160 B15R2.31 Cc1cc(ccn1)Sc2cnnnc2 62a_100009846058_100000758586 [0,1,0,0,1,0|2,0,0]=4 1161 B15R2.31 Cc1cc(ncn1)Sc2ccccc2 62a_100000719477_100000744208 [0,1,0,0,1,0|2,0,0]=4 1162 B15R2.31 Cc1cc(ncn1)Sc2ccccc2 62a_100000744208_100000041952 [0,1,0,0,1,0|2,0,0]=4 1163 B15R2.31 Cc1cc(ncn1)Sc2ccncc2 62a_100000728582_100000744208 [0,1,0,0,1,0|1,0,0]=3 1164 B15R2.31 Cc1cc(ncn1)Sc2ccncc2 62a_100000744208_100000728582 [0,1,0,0,1,0|1,0,0]=3 1165 B15R2.31 Cc1cc(ncn1)Sc2ccncn2 62a_100000703185_100000744208 [0,1,0,0,1,0|2,0,0]=4 1166 B15R2.31 Cc1cc(ncn1)Sc2ccncn2 62a_100000744208_100000703185 [0,1,0,0,1,0|2,0,0]=4 1167 B15R2.31 Cc1cc(ncn1)Sc2ccnnc2 62a_100000732662_100000744208 [0,1,0,0,1,0|2,0,0]=4 1168 B15R2.31 Cc1cc(ncn1)Sc2ccnnc2 62a_100000744208_100000732662 [0,1,0,0,1,0|2,0,0]=4 1169 B15R2.31 Cc1cccc(c1)Sc2ccccc2 62a_100000719477_100011215228 [0,1,0,0,1,0|2,0,0]=4 1170 B15R2.31 Cc1cccc(c1)Sc2ccccc2 62a_100011215228_100000041952 [0,1,0,0,1,0|2,0,0]=4 1171 B15R2.31 Cc1cccc(c1)Sc2ccncc2 62a_100000728582_100011215228 [0,1,0,0,1,0|1,0,0]=3 1172 B15R2.31 Cc1cccc(c1)Sc2ccncc2 62a_100011215228_100000728582 [0,1,0,0,1,0|1,0,0]=3 1173 B15R2.31 Cc1cccc(c1)Sc2ccncn2 62a_100000703185_100011215228 [0,1,0,0,1,0|2,0,0]=4 1174 B15R2.31 Cc1cccc(c1)Sc2ccncn2 62a_100011215228_100000703185 [0,1,0,0,1,0|2,0,0]=4 1175 B15R2.31 Cc1cccc(c1)Sc2ccnnc2 62a_100000732662_100011215228 [0,1,0,0,1,0|2,0,0]=4 1176 B15R2.31 Cc1cccc(c1)Sc2ccnnc2 62a_100011215228_100000732662 [0,1,0,0,1,0|2,0,0]=4 1177 B15R2.31 Cc1cccc(n1)Sc2ccncc2 62a_100000728582_100000742759 [0,1,0,0,1,0|2,0,0]=4 1178 B15R2.31 Cc1cccc(n1)Sc2ccncc2 62a_100000742759_100000728582 [0,1,0,0,1,0|2,0,0]=4 1179 B15R2.31 Cc1ccnc(c1)Sc2ccncc2 62a_100000728582_100000750283 [0,1,0,0,1,0|2,0,0]=4 1180 B15R2.31 Cc1ccnc(c1)Sc2ccncc2 62a_100000750283_100000728582 [0,1,0,0,1,0|2,0,0]=4 1181 B15R2.31 Cc1cncc(c1)Sc2ccncc2 62a_100000728582_100000760492 [0,1,0,0,1,0|2,0,0]=4 1182 B15R2.31 Cc1cncc(c1)Sc2ccncc2 62a_100000760492_100000728582 [0,1,0,0,1,0|2,0,0]=4 1183 B15R2.31 Cc1nccc(n1)Sc2ccccc2 62a_100000719477_100000749937 [0,1,0,0,1,0|2,0,0]=4 1184 B15R2.31 Cc1nccc(n1)Sc2ccccc2 62a_100000749937_100000041952 [0,1,0,0,1,0|2,0,0]=4 1185 B15R2.31 Cc1nccc(n1)Sc2ccncc2 62a_100000728582_100000749937 [0,1,0,0,1,0|1,0,0]=3 1186 B15R2.31 Cc1nccc(n1)Sc2ccncc2 62a_100000749937_100000728582 [0,1,0,0,1,0|1,0,0]=3 1187 B15R2.31 Cc1nccc(n1)Sc2ccncn2 62a_100000703185_100000749937 [0,1,0,0,1,0|2,0,0]=4 1188 B15R2.31 Cc1nccc(n1)Sc2ccncn2 62a_100000749937_100000703185 [0,1,0,0,1,0|2,0,0]=4 1189 B15R2.31 Cc1nccc(n1)Sc2ccnnc2 62a_100000732662_100000749937 [0,1,0,0,1,0|2,0,0]=4 1190 B15R2.31 Cc1nccc(n1)Sc2ccnnc2 62a_100000749937_100000732662 [0,1,0,0,1,0|2,0,0]=4 1191 B15R2.31 Clc1cc(ccn1)Sc2ccccc2 62a_100000035001_100000041952 [0,1,0,0,1,0|1,0,0]=3 1192 B15R2.31 Clc1cc(ccn1)Sc2ccccc2 62a_100000719477_100000035001 [0,1,0,0,1,0|1,0,0]=3 1193 B15R2.31 Clc1cc(ccn1)Sc2ccccn2 62a_100000035001_100011216584 [0,1,0,0,1,0|2,0,0]=4 1194 B15R2.31 Clc1cc(ccn1)Sc2ccccn2 62a_100011216584_100000035001 [0,1,0,0,1,0|2,0,0]=4 1195 B15R2.31 Clc1cc(ccn1)Sc2cccnc2 62a_100000035001_100000210063 [0,1,0,0,1,0|2,0,0]=4 1196 B15R2.31 Clc1cc(ccn1)Sc2cccnc2 62a_100000210063_100000035001 [0,1,0,0,1,0|2,0,0]=4 1197 B15R2.31 Clc1cc(ccn1)Sc2ccncc2 62a_100000035001_100000728582 [0,1,0,0,1,0|0,0,0]=2 1198 B15R2.31 Clc1cc(ccn1)Sc2ccncc2 62a_100000728582_100000035001 [0,1,0,0,1,0|0,0,0]=2 1199 B15R2.31 Clc1cc(ccn1)Sc2ccncn2 62a_100000035001_100000703185 [0,1,0,0,1,0|1,0,0]=3 1200 B15R2.31 Clc1cc(ccn1)Sc2ccncn2 62a_100000703185_100000035001 [0,1,0,0,1,0|1,0,0]=3 1201 B15R2.31 Clc1cc(ccn1)Sc2ccnnc2 62a_100000035001_100000732662 [0,1,0,0,1,0|1,0,0]=3 1202 B15R2.31 Clc1cc(ccn1)Sc2ccnnc2 62a_100000732662_100000035001 [0,1,0,0,1,0|1,0,0]=3 1203 B15R2.31 Clc1cc(ccn1)Sc2cnnnc2 62a_100000035001_100009846058 [0,1,0,0,1,0|2,0,0]=4 1204 B15R2.31 Clc1cc(ccn1)Sc2cnnnc2 62a_100009846058_100000035001 [0,1,0,0,1,0|2,0,0]=4 1205 B15R2.31 Clc1cc(ncn1)Sc2ccccc2 62a_100000719477_100010161198 [0,1,0,0,1,0|2,0,0]=4 1206 B15R2.31 Clc1cc(ncn1)Sc2ccccc2 62a_100010161198_100000041952 [0,1,0,0,1,0|2,0,0]=4 1207 B15R2.31 Clc1cc(ncn1)Sc2ccncc2 62a_100000728582_100010161198 [0,1,0,0,1,0|1,0,0]=3 1208 B15R2.31 Clc1cc(ncn1)Sc2ccncc2 62a_100010161198_100000728582 [0,1,0,0,1,0|1,0,0]=3 1209 B15R2.31 Clc1cc(ncn1)Sc2ccncn2 62a_100000703185_100010161198 [0,1,0,0,1,0|2,0,0]=4 1210 B15R2.31 Clc1cc(ncn1)Sc2ccncn2 62a_100010161198_100000703185 [0,1,0,0,1,0|2,0,0]=4 1211 B15R2.31 Clc1cc(ncn1)Sc2ccnnc2 62a_100000732662_100010161198 [0,1,0,0,1,0|2,0,0]=4 1212 B15R2.31 Clc1cc(ncn1)Sc2ccnnc2 62a_100010161198_100000732662 [0,1,0,0,1,0|2,0,0]=4 1213 B15R2.31 Clc1cccc(c1)Sc2ccccc2 62a_100000699651_100000041952 [0,1,0,0,1,0|2,0,0]=4 1214 B15R2.31 Clc1cccc(c1)Sc2ccccc2 62a_100000719477_100000699651 [0,1,0,0,1,0|2,0,0]=4 1215 B15R2.31 Clc1cccc(c1)Sc2ccncc2 62a_100000699651_100000728582 [0,1,0,0,1,0|1,0,0]=3 1216 B15R2.31 Clc1cccc(c1)Sc2ccncc2 62a_100000728582_100000699651 [0,1,0,0,1,0|1,0,0]=3 1217 B15R2.31 Clc1cccc(c1)Sc2ccncn2 62a_100000699651_100000703185 [0,1,0,0,1,0|2,0,0]=4 1218 B15R2.31 Clc1cccc(c1)Sc2ccncn2 62a_100000703185_100000699651 [0,1,0,0,1,0|2,0,0]=4 1219 B15R2.31 Clc1cccc(c1)Sc2ccnnc2 62a_100000699651_100000732662 [0,1,0,0,1,0|2,0,0]=4 1220 B15R2.31 Clc1cccc(c1)Sc2ccnnc2 62a_100000732662_100000699651 [0,1,0,0,1,0|2,0,0]=4 1221 B15R2.31 Clc1cccc(n1)Sc2ccncc2 62a_100000051397_100000728582 [0,1,0,0,1,0|2,0,0]=4 1222 B15R2.31 Clc1cccc(n1)Sc2ccncc2 62a_100000728582_100000051397 [0,1,0,0,1,0|2,0,0]=4 1223 B15R2.31 Clc1ccnc(c1)Sc2ccncc2 62a_100000728582_100010167805 [0,1,0,0,1,0|2,0,0]=4 1224 B15R2.31 Clc1ccnc(c1)Sc2ccncc2 62a_100010167805_100000728582 [0,1,0,0,1,0|2,0,0]=4 1225 B15R2.31 Clc1cncc(c1)Sc2ccncc2 62a_100000049639_100000728582 [0,1,0,0,1,0|2,0,0]=4 1226 B15R2.31 Clc1cncc(c1)Sc2ccncc2 62a_100000728582_100000049639 [0,1,0,0,1,0|2,0,0]=4 1227 B15R2.31 Clc1nccc(n1)Sc2ccccc2 62a_100000719477_100010154678 [0,1,0,0,1,0|2,0,0]=4 1228 B15R2.31 Clc1nccc(n1)Sc2ccccc2 62a_100010154678_100000041952 [0,1,0,0,1,0|2,0,0]=4 1229 B15R2.31 Clc1nccc(n1)Sc2ccncc2 62a_100000728582_100010154678 [0,1,0,0,1,0|1,0,0]=3 1230 B15R2.31 Clc1nccc(n1)Sc2ccncc2 62a_100010154678_100000728582 [0,1,0,0,1,0|1,0,0]=3 1231 B15R2.31 Clc1nccc(n1)Sc2ccncn2 62a_100000703185_100010154678 [0,1,0,0,1,0|2,0,0]=4 1232 B15R2.31 Clc1nccc(n1)Sc2ccncn2 62a_100010154678_100000703185 [0,1,0,0,1,0|2,0,0]=4 1233 B15R2.31 Clc1nccc(n1)Sc2ccnnc2 62a_100000732662_100010154678 [0,1,0,0,1,0|2,0,0]=4 1234 B15R2.31 Clc1nccc(n1)Sc2ccnnc2 62a_100010154678_100000732662 [0,1,0,0,1,0|2,0,0]=4 1235 B15R2.31 Fc1cc(ccn1)Nc2ccccc2 27a_100000106764_100009816116 [0,1,0,0,1,0|2,0,0]=4 1236 B15R2.31 Fc1cc(ccn1)Sc2ccccc2 62a_100000719477_100009816116 [0,1,0,0,1,0|1,0,0]=3 1237 B15R2.31 Fc1cc(ccn1)Sc2ccccc2 62a_100009816116_100000041952 [0,1,0,0,1,0|1,0,0]=3 1238 B15R2.31 Fc1cc(ccn1)Sc2ccccn2 62a_100009816116_100011216584 [0,1,0,0,1,0|2,0,0]=4 1239 B15R2.31 Fc1cc(ccn1)Sc2ccccn2 62a_100011216584_100009816116 [0,1,0,0,1,0|2,0,0]=4 1240 B15R2.31 Fc1cc(ccn1)Sc2cccnc2 62a_100000210063_100009816116 [0,1,0,0,1,0|2,0,0]=4 1241 B15R2.31 Fc1cc(ccn1)Sc2cccnc2 62a_100009816116_100000210063 [0,1,0,0,1,0|2,0,0]=4 1242 B15R2.31 Fc1cc(ccn1)Sc2ccncc2 62a_100000728582_100009816116 [0,1,0,0,1,0|0,0,0]=2 1243 B15R2.31 Fc1cc(ccn1)Sc2ccncc2 62a_100009816116_100000728582 [0,1,0,0,1,0|0,0,0]=2 1244 B15R2.31 Fc1cc(ccn1)Sc2ccncn2 62a_100000703185_100009816116 [0,1,0,0,1,0|1,0,0]=3 1245 B15R2.31 Fc1cc(ccn1)Sc2ccncn2 62a_100009816116_100000703185 [0,1,0,0,1,0|1,0,0]=3 1246 B15R2.31 Fc1cc(ccn1)Sc2ccnnc2 62a_100000732662_100009816116 [0,1,0,0,1,0|1,0,0]=3 1247 B15R2.31 Fc1cc(ccn1)Sc2ccnnc2 62a_100009816116_100000732662 [0,1,0,0,1,0|1,0,0]=3 1248 B15R2.31 Fc1cc(ccn1)Sc2cnnnc2 62a_100009816116_100009846058 [0,1,0,0,1,0|2,0,0]=4 1249 B15R2.31 Fc1cc(ccn1)Sc2cnnnc2 62a_100009846058_100009816116 [0,1,0,0,1,0|2,0,0]=4 1250 B15R2.31 Fc1cc(ncn1)Sc2ccccc2 62a_100000719477_200009880791 [0,1,0,0,1,0|2,0,0]=4 1251 B15R2.31 Fc1cc(ncn1)Sc2ccccc2 62a_200009880791_100000041952 [0,1,0,0,1,0|2,0,0]=4 1252 B15R2.31 Fc1cc(ncn1)Sc2ccncc2 62a_100000728582_200009880791 [0,1,0,0,1,0|1,0,0]=3 1253 B15R2.31 Fc1cc(ncn1)Sc2ccncc2 62a_200009880791_100000728582 [0,1,0,0,1,0|1,0,0]=3 1254 B15R2.31 Fc1cc(ncn1)Sc2ccncn2 62a_100000703185_200009880791 [0,1,0,0,1,0|2,0,0]=4 1255 B15R2.31 Fc1cc(ncn1)Sc2ccncn2 62a_200009880791_100000703185 [0,1,0,0,1,0|2,0,0]=4 1256 B15R2.31 Fc1cc(ncn1)Sc2ccnnc2 62a_100000732662_200009880791 [0,1,0,0,1,0|2,0,0]=4 1257 B15R2.31 Fc1cc(ncn1)Sc2ccnnc2 62a_200009880791_100000732662 [0,1,0,0,1,0|2,0,0]=4 1258 B15R2.31 Fc1cccc(c1)Sc2ccccc2 62a_100000685547_100000041952 [0,1,0,0,1,0|2,0,0]=4 1259 B15R2.31 Fc1cccc(c1)Sc2ccccc2 62a_100000719477_100000685547 [0,1,0,0,1,0|2,0,0]=4 1260 B15R2.31 Fc1cccc(c1)Sc2ccncc2 62a_100000685547_100000728582 [0,1,0,0,1,0|1,0,0]=3 1261 B15R2.31 Fc1cccc(c1)Sc2ccncc2 62a_100000728582_100000685547 [0,1,0,0,1,0|1,0,0]=3 1262 B15R2.31 Fc1cccc(c1)Sc2ccncn2 62a_100000685547_100000703185 [0,1,0,0,1,0|2,0,0]=4 1263 B15R2.31 Fc1cccc(c1)Sc2ccncn2 62a_100000703185_100000685547 [0,1,0,0,1,0|2,0,0]=4 1264 B15R2.31 Fc1cccc(c1)Sc2ccnnc2 62a_100000685547_100000732662 [0,1,0,0,1,0|2,0,0]=4 1265 B15R2.31 Fc1cccc(c1)Sc2ccnnc2 62a_100000732662_100000685547 [0,1,0,0,1,0|2,0,0]=4 1266 B15R2.31 Fc1cccc(n1)Sc2ccncc2 62a_100000728582_100009815982 [0,1,0,0,1,0|2,0,0]=4 1267 B15R2.31 Fc1cccc(n1)Sc2ccncc2 62a_100009815982_100000728582 [0,1,0,0,1,0|2,0,0]=4 1268 B15R2.31 Fc1ccnc(c1)Sc2ccncc2 62a_100000728582_100000764206 [0,1,0,0,1,0|2,0,0]=4 1269 B15R2.31 Fc1ccnc(c1)Sc2ccncc2 62a_100000764206_100000728582 [0,1,0,0,1,0|2,0,0]=4 1270 B15R2.31 Fc1cncc(c1)Sc2ccncc2 62a_100000728582_100000744099 [0,1,0,0,1,0|2,0,0]=4 1271 B15R2.31 Fc1cncc(c1)Sc2ccncc2 62a_100000744099_100000728582 [0,1,0,0,1,0|2,0,0]=4 1272 B15R2.31 Nc1cc(ccn1)Sc2ccccc2 62a_100000049665_100000041952 [0,1,0,0,1,0|1,0,0]=3 1273 B15R2.31 Nc1cc(ccn1)Sc2ccccc2 62a_100000719477_100000049665 [0,1,0,0,1,0|1,0,0]=3 1274 B15R2.31 Nc1cc(ccn1)Sc2ccccn2 62a_100000049665_100011216584 [0,1,0,0,1,0|2,0,0]=4 1275 B15R2.31 Nc1cc(ccn1)Sc2ccccn2 62a_100011216584_100000049665 [0,1,0,0,1,0|2,0,0]=4 1276 B15R2.31 Nc1cc(ccn1)Sc2cccnc2 62a_100000049665_100000210063 [0,1,0,0,1,0|2,0,0]=4 1277 B15R2.31 Nc1cc(ccn1)Sc2cccnc2 62a_100000210063_100000049665 [0,1,0,0,1,0|2,0,0]=4 1278 B15R2.31 Nc1cc(ccn1)Sc2ccncc2 62a_100000049665_100000728582 [0,1,0,0,1,0|0,0,0]=2 1279 B15R2.31 Nc1cc(ccn1)Sc2ccncc2 62a_100000728582_100000049665 [0,1,0,0,1,0|0,0,0]=2 1280 B15R2.31 Nc1cc(ccn1)Sc2ccncn2 62a_100000049665_100000703185 [0,1,0,0,1,0|1,0,0]=3 1281 B15R2.31 Nc1cc(ccn1)Sc2ccncn2 62a_100000703185_100000049665 [0,1,0,0,1,0|1,0,0]=3 1282 B15R2.31 Nc1cc(ccn1)Sc2ccnnc2 62a_100000049665_100000732662 [0,1,0,0,1,0|1,0,0]=3 1283 B15R2.31 Nc1cc(ccn1)Sc2ccnnc2 62a_100000732662_100000049665 [0,1,0,0,1,0|1,0,0]=3 1284 B15R2.31 Nc1cc(ccn1)Sc2cnnnc2 62a_100000049665_100009846058 [0,1,0,0,1,0|2,0,0]=4 1285 B15R2.31 Nc1cc(ccn1)Sc2cnnnc2 62a_100009846058_100000049665 [0,1,0,0,1,0|2,0,0]=4 1286 B15R2.31 Nc1cc(cnn1)Sc2ccccc2 62a_100000130277_100000041952 [0,1,0,0,1,0|2,0,0]=4 1287 B15R2.31 Nc1cc(cnn1)Sc2ccccc2 62a_100000719477_100000130277 [0,1,0,0,1,0|2,0,0]=4 1288 B15R2.31 Nc1cc(cnn1)Sc2ccncc2 62a_100000130277_100000728582 [0,1,0,0,1,0|1,0,0]=3 1289 B15R2.31 Nc1cc(cnn1)Sc2ccncc2 62a_100000728582_100000130277 [0,1,0,0,1,0|1,0,0]=3 1290 B15R2.31 Nc1cc(cnn1)Sc2ccncn2 62a_100000130277_100000703185 [0,1,0,0,1,0|2,0,0]=4 1291 B15R2.31 Nc1cc(cnn1)Sc2ccncn2 62a_100000703185_100000130277 [0,1,0,0,1,0|2,0,0]=4 1292 B15R2.31 Nc1cc(cnn1)Sc2ccnnc2 62a_100000130277_100000732662 [0,1,0,0,1,0|2,0,0]=4 1293 B15R2.31 Nc1cc(cnn1)Sc2ccnnc2 62a_100000732662_100000130277 [0,1,0,0,1,0|2,0,0]=4 1294 B15R2.31 Nc1cc(ncn1)Sc2ccccc2 62a_100000701291_100000041952 [0,1,0,0,1,0|2,0,0]=4 1295 B15R2.31 Nc1cc(ncn1)Sc2ccccc2 62a_100000719477_100000701291 [0,1,0,0,1,0|2,0,0]=4 1296 B15R2.31 Nc1cc(ncn1)Sc2ccncc2 62a_100000701291_100000728582 [0,1,0,0,1,0|1,0,0]=3 1297 B15R2.31 Nc1cc(ncn1)Sc2ccncc2 62a_100000728582_100000701291 [0,1,0,0,1,0|1,0,0]=3 1298 B15R2.31 Nc1cc(ncn1)Sc2ccncn2 62a_100000701291_100000703185 [0,1,0,0,1,0|2,0,0]=4 1299 B15R2.31 Nc1cc(ncn1)Sc2ccncn2 62a_100000703185_100000701291 [0,1,0,0,1,0|2,0,0]=4 1300 B15R2.31 Nc1cc(ncn1)Sc2ccnnc2 62a_100000701291_100000732662 [0,1,0,0,1,0|2,0,0]=4 1301 B15R2.31 Nc1cc(ncn1)Sc2ccnnc2 62a_100000732662_100000701291 [0,1,0,0,1,0|2,0,0]=4 1302 B15R2.31 Nc1cccc(c1)Sc2ccccc2 62a_100000210019_100000041952 [0,1,0,0,1,0|2,0,0]=4 1303 B15R2.31 Nc1cccc(c1)Sc2ccccc2 62a_100000719477_100000210019 [0,1,0,0,1,0|2,0,0]=4 1304 B15R2.31 Nc1cccc(c1)Sc2ccncc2 62a_100000210019_100000728582 [0,1,0,0,1,0|1,0,0]=3 1305 B15R2.31 Nc1cccc(c1)Sc2ccncc2 62a_100000728582_100000210019 [0,1,0,0,1,0|1,0,0]=3 1306 B15R2.31 Nc1cccc(c1)Sc2ccncn2 62a_100000210019_100000703185 [0,1,0,0,1,0|2,0,0]=4 1307 B15R2.31 Nc1cccc(c1)Sc2ccncn2 62a_100000703185_100000210019 [0,1,0,0,1,0|2,0,0]=4 1308 B15R2.31 Nc1cccc(c1)Sc2ccnnc2 62a_100000210019_100000732662 [0,1,0,0,1,0|2,0,0]=4 1309 B15R2.31 Nc1cccc(c1)Sc2ccnnc2 62a_100000732662_100000210019 [0,1,0,0,1,0|2,0,0]=4 1310 B15R2.31 Nc1cccc(n1)Sc2ccncc2 62a_100000728582_100000740741 [0,1,0,0,1,0|2,0,0]=4 1311 B15R2.31 Nc1cccc(n1)Sc2ccncc2 62a_100000740741_100000728582 [0,1,0,0,1,0|2,0,0]=4 1312 B15R2.31 Nc1ccnc(c1)Sc2ccncc2 62a_100000728582_100009814236 [0,1,0,0,1,0|2,0,0]=4 1313 B15R2.31 Nc1ccnc(c1)Sc2ccncc2 62a_100009814236_100000728582 [0,1,0,0,1,0|2,0,0]=4 1314 B15R2.31 Nc1cncc(c1)Sc2ccncc2 62a_100000687067_100000728582 [0,1,0,0,1,0|2,0,0]=4 1315 B15R2.31 Nc1cncc(c1)Sc2ccncc2 62a_100000728582_100000687067 [0,1,0,0,1,0|2,0,0]=4 1316 B15R2.31 Nc1nccc(n1)Sc2ccccc2 62a_100000055538_100000041952 [0,1,0,0,1,0|2,0,0]=4 1317 B15R2.31 Nc1nccc(n1)Sc2ccccc2 62a_100000719477_100000055538 [0,1,0,0,1,0|2,0,0]=4 1318 B15R2.31 Nc1nccc(n1)Sc2ccncc2 62a_100000055538_100000728582 [0,1,0,0,1,0|1,0,0]=3 1319 B15R2.31 Nc1nccc(n1)Sc2ccncc2 62a_100000728582_100000055538 [0,1,0,0,1,0|1,0,0]=3 1320 B15R2.31 Nc1nccc(n1)Sc2ccncn2 62a_100000055538_100000703185 [0,1,0,0,1,0|2,0,0]=4 1321 B15R2.31 Nc1nccc(n1)Sc2ccncn2 62a_100000703185_100000055538 [0,1,0,0,1,0|2,0,0]=4 1322 B15R2.31 Nc1nccc(n1)Sc2ccnnc2 62a_100000055538_100000732662 [0,1,0,0,1,0|2,0,0]=4 1323 B15R2.31 Nc1nccc(n1)Sc2ccnnc2 62a_100000732662_100000055538 [0,1,0,0,1,0|2,0,0]=4 1324 B15R2.31 Nc1ncnc(n1)Sc2ccncc2 62a_100000123831_100000728582 [0,1,0,0,1,0|2,0,0]=4 1325 B15R2.31 Nc1ncnc(n1)Sc2ccncc2 62a_100000728582_100000123831 [0,1,0,0,1,0|2,0,0]=4 1326 B15R2.31 O=c1cc(cc[nH]1)Sc2ccccc2 62a_100000719477_100009816521 [0,1,0,0,1,0|1,0,1]=4 1327 B15R2.31 O=c1cc(cc[nH]1)Sc2ccccc2 62a_100009816521_100000041952 [0,1,0,0,1,0|1,0,1]=4 1328 B15R2.31 O=c1cc(cc[nH]1)Sc2ccncc2 62a_100000728582_100009816521 [0,1,0,0,1,0|0,0,1]=3 1329 B15R2.31 O=c1cc(cc[nH]1)Sc2ccncc2 62a_100009816521_100000728582 [0,1,0,0,1,0|0,0,1]=3 1330 B15R2.31 O=c1cc(cc[nH]1)Sc2ccncn2 62a_100000703185_100009816521 [0,1,0,0,1,0|1,0,1]=4 1331 B15R2.31 O=c1cc(cc[nH]1)Sc2ccncn2 62a_100009816521_100000703185 [0,1,0,0,1,0|1,0,1]=4 1332 B15R2.31 O=c1cc(cc[nH]1)Sc2ccnnc2 62a_100000732662_100009816521 [0,1,0,0,1,0|1,0,1]=4 1333 B15R2.31 O=c1cc(cc[nH]1)Sc2ccnnc2 62a_100009816521_100000732662 [0,1,0,0,1,0|1,0,1]=4 1334 B15R2.31 O=c1cc(cn[nH]1)Sc2ccncc2 62a_100000728582_100010197405 [0,1,0,0,1,0|1,0,1]=4 1335 B15R2.31 O=c1cc(nc[nH]1)Sc2ccncc2 62a_100012002517_100000728582 [0,1,0,0,1,0|1,0,1]=4 1336 B15R2.31 O=c1cc[nH]c(c1)Sc2ccncc2 62a_100009817434_100000728582 [0,1,0,0,1,0|2,0,0]=4 1337 B15R2.31 O=c1cccc([nH]1)Sc2ccncc2 62a_100000728582_100000752884 [0,1,0,0,1,0|2,0,0]=4 1338 B15R2.31 O=c1nc(cc[nH]1)Sc2ccncc2 62a_100000728582_200000134032 [0,1,0,0,1,0|1,0,1]=4 1339 B15R2.31 Oc1cc(ncn1)Sc2ccccc2 62a_100000719477_100000765262 [0,1,0,0,1,0|2,0,0]=4 1340 B15R2.31 Oc1cc(ncn1)Sc2ccncc2 62a_100000728582_100000765262 [0,1,0,0,1,0|1,0,0]=3 1341 B15R2.31 Oc1cc(ncn1)Sc2ccncn2 62a_100000703185_100000765262 [0,1,0,0,1,0|2,0,0]=4 1342 B15R2.31 Oc1cc(ncn1)Sc2ccnnc2 62a_100000732662_100000765262 [0,1,0,0,1,0|2,0,0]=4 1343 B15R2.31 Oc1cccc(c1)Sc2ccccc2 62a_100000719477_100000211634 [0,1,0,0,1,0|2,0,0]=4 1344 B15R2.31 Oc1cccc(c1)Sc2ccncc2 62a_100000728582_100000211634 [0,1,0,0,1,0|1,0,0]=3 1345 B15R2.31 Oc1cccc(c1)Sc2ccncn2 62a_100000703185_100000211634 [0,1,0,0,1,0|2,0,0]=4 1346 B15R2.31 Oc1cccc(c1)Sc2ccnnc2 62a_100000732662_100000211634 [0,1,0,0,1,0|2,0,0]=4 1347 B15R2.31 Oc1ccnc(c1)Sc2ccncc2 62a_100000728582_100000762945 [0,1,0,0,1,0|2,0,0]=4 1348 B15R2.31 Oc1cncc(c1)Sc2ccncc2 62a_100000728582_100000754920 [0,1,0,0,1,0|2,0,0]=4 1349 B15R2.31 Oc1cncc(c1)Sc2ccncc2 62a_100000754920_100000728582 [0,1,0,0,1,0|2,0,0]=4 1350 B15R2.31 [O-][n+]1cccc(c1)Sc2ccncc2 62a_100000728582_100009815978 [0,1,0,0,1,0|2,0,0]=4 1351 B15R2.31 [S]c1cccc(c1)Sc2ccccc2 62a_100000719477_114929384022 [0,1,0,0,1,0|2,0,0]=4 1352 B15R2.31 [S]c1cccc(c1)Sc2ccccc2 62a_114929384022_100000041952 [0,1,0,0,1,0|2,0,0]=4 1353 B15R2.31 [S]c1cccc(c1)Sc2ccncc2 62a_100000728582_114929384022 [0,1,0,0,1,0|1,0,0]=3 1354 B15R2.31 [S]c1cccc(c1)Sc2ccncc2 62a_114929384022_100000728582 [0,1,0,0,1,0|1,0,0]=3 1355 B15R2.31 [S]c1cccc(c1)Sc2ccncn2 62a_100000703185_114929384022 [0,1,0,0,1,0|2,0,0]=4 1356 B15R2.31 [S]c1cccc(c1)Sc2ccncn2 62a_114929384022_100000703185 [0,1,0,0,1,0|2,0,0]=4 1357 B15R2.31 [S]c1cccc(c1)Sc2ccnnc2 62a_100000732662_114929384022 [0,1,0,0,1,0|2,0,0]=4 1358 B15R2.31 [S]c1cccc(c1)Sc2ccnnc2 62a_114929384022_100000732662 [0,1,0,0,1,0|2,0,0]=4 1359 B15R2.38 Brc1ccccc1Sc2ccccc2 62a_100000695589_100000041952 [0,1,0,0,1,0|2,0,0]=4 1360 B15R2.38 Brc1ccccc1Sc2ccccc2 62a_100000719477_100000695589 [0,1,0,0,1,0|2,0,0]=4 1361 B15R2.38 Brc1ccccc1Sc2ccncc2 62a_100000695589_100000728582 [0,1,0,0,1,0|1,0,0]=3 1362 B15R2.38 Brc1ccccc1Sc2ccncc2 62a_100000728582_100000695589 [0,1,0,0,1,0|1,0,0]=3 1363 B15R2.38 Brc1ccccc1Sc2ccncn2 62a_100000695589_100000703185 [0,1,0,0,1,0|2,0,0]=4 1364 B15R2.38 Brc1ccccc1Sc2ccncn2 62a_100000703185_100000695589 [0,1,0,0,1,0|2,0,0]=4 1365 B15R2.38 Brc1ccccc1Sc2ccnnc2 62a_100000695589_100000732662 [0,1,0,0,1,0|2,0,0]=4 1366 B15R2.38 Brc1ccccc1Sc2ccnnc2 62a_100000732662_100000695589 [0,1,0,0,1,0|2,0,0]=4 1367 B15R2.38 Brc1cccnc1Sc2ccncc2 62a_100000696092_100000728582 [0,1,0,0,1,0|2,0,0]=4 1368 B15R2.38 Brc1cccnc1Sc2ccncc2 62a_100000728582_100000696092 [0,1,0,0,1,0|2,0,0]=4 1369 B15R2.38 Brc1ccncc1Sc2ccncc2 62a_100000728582_100010138639 [0,1,0,0,1,0|2,0,0]=4 1370 B15R2.38 Brc1ccncc1Sc2ccncc2 62a_100010138639_100000728582 [0,1,0,0,1,0|2,0,0]=4 1371 B15R2.38 Brc1cnccc1Nc2ccccc2 27a_100000106764_100000726257 [0,1,0,0,1,0|2,0,0]=4 1372 B15R2.38 Brc1cnccc1Sc2ccccc2 62a_100000719477_100000726257 [0,1,0,0,1,0|1,0,0]=3 1373 B15R2.38 Brc1cnccc1Sc2ccccc2 62a_100000726257_100000041952 [0,1,0,0,1,0|1,0,0]=3 1374 B15R2.38 Brc1cnccc1Sc2ccccn2 62a_100000726257_100011216584 [0,1,0,0,1,0|2,0,0]=4 1375 B15R2.38 Brc1cnccc1Sc2ccccn2 62a_100011216584_100000726257 [0,1,0,0,1,0|2,0,0]=4 1376 B15R2.38 Brc1cnccc1Sc2cccnc2 62a_100000210063_100000726257 [0,1,0,0,1,0|2,0,0]=4 1377 B15R2.38 Brc1cnccc1Sc2cccnc2 62a_100000726257_100000210063 [0,1,0,0,1,0|2,0,0]=4 1378 B15R2.38 Brc1cnccc1Sc2ccncc2 62a_100000726257_100000728582 [0,1,0,0,1,0|0,0,0]=2 1379 B15R2.38 Brc1cnccc1Sc2ccncc2 62a_100000728582_100000726257 [0,1,0,0,1,0|0,0,0]=2 1380 B15R2.38 Brc1cnccc1Sc2ccncn2 62a_100000703185_100000726257 [0,1,0,0,1,0|1,0,0]=3 1381 B15R2.38 Brc1cnccc1Sc2ccncn2 62a_100000726257_100000703185 [0,1,0,0,1,0|1,0,0]=3 1382 B15R2.38 Brc1cnccc1Sc2ccnnc2 62a_100000726257_100000732662 [0,1,0,0,1,0|1,0,0]=3 1383 B15R2.38 Brc1cnccc1Sc2ccnnc2 62a_100000732662_100000726257 [0,1,0,0,1,0|1,0,0]=3 1384 B15R2.38 Brc1cnccc1Sc2cnnnc2 62a_100000726257_100009846058 [0,1,0,0,1,0|2,0,0]=4 1385 B15R2.38 Brc1cnccc1Sc2cnnnc2 62a_100009846058_100000726257 [0,1,0,0,1,0|2,0,0]=4 1386 B15R2.38 Brc1ncccc1Sc2ccncc2 62a_100000728582_100010202626 [0,1,0,0,1,0|2,0,0]=4 1387 B15R2.38 Brc1ncccc1Sc2ccncc2 62a_100010202626_100000728582 [0,1,0,0,1,0|2,0,0]=4 1388 B15R2.38 C[n+]1ccccc1Sc2ccncc2 62a_100000728582_100000212160 [0,1,0,0,1,0|2,0,0]=4 1389 B15R2.38 Cc1ccccc1Sc2ccccc2 62a_100000210755_100000041952 [0,1,0,0,1,0|2,0,0]=4 1390 B15R2.38 Cc1ccccc1Sc2ccccc2 62a_100000719477_100000210755 [0,1,0,0,1,0|2,0,0]=4 1391 B15R2.38 Cc1ccccc1Sc2ccncc2 62a_100000210755_100000728582 [0,1,0,0,1,0|1,0,0]=3 1392 B15R2.38 Cc1ccccc1Sc2ccncc2 62a_100000728582_100000210755 [0,1,0,0,1,0|1,0,0]=3 1393 B15R2.38 Cc1ccccc1Sc2ccncn2 62a_100000210755_100000703185 [0,1,0,0,1,0|2,0,0]=4 1394 B15R2.38 Cc1ccccc1Sc2ccncn2 62a_100000703185_100000210755 [0,1,0,0,1,0|2,0,0]=4 1395 B15R2.38 Cc1ccccc1Sc2ccnnc2 62a_100000210755_100000732662 [0,1,0,0,1,0|2,0,0]=4 1396 B15R2.38 Cc1ccccc1Sc2ccnnc2 62a_100000732662_100000210755 [0,1,0,0,1,0|2,0,0]=4 1397 B15R2.38 Cc1cccnc1Sc2ccncc2 62a_100000728582_100000751373 [0,1,0,0,1,0|2,0,0]=4 1398 B15R2.38 Cc1cccnc1Sc2ccncc2 62a_100000751373_100000728582 [0,1,0,0,1,0|2,0,0]=4 1399 B15R2.38 Cc1ccncc1Sc2ccncc2 62a_100000728582_100000761580 [0,1,0,0,1,0|2,0,0]=4 1400 B15R2.38 Cc1ccncc1Sc2ccncc2 62a_100000761580_100000728582 [0,1,0,0,1,0|2,0,0]=4 1401 B15R2.38 Cc1cnccc1Nc2ccccc2 27a_100000106764_100000765111 [0,1,0,0,1,0|2,0,0]=4 1402 B15R2.38 Cc1cnccc1Sc2ccccc2 62a_100000719477_100000765111 [0,1,0,0,1,0|1,0,0]=3 1403 B15R2.38 Cc1cnccc1Sc2ccccc2 62a_100000765111_100000041952 [0,1,0,0,1,0|1,0,0]=3 1404 B15R2.38 Cc1cnccc1Sc2ccccn2 62a_100000765111_100011216584 [0,1,0,0,1,0|2,0,0]=4 1405 B15R2.38 Cc1cnccc1Sc2ccccn2 62a_100011216584_100000765111 [0,1,0,0,1,0|2,0,0]=4 1406 B15R2.38 Cc1cnccc1Sc2cccnc2 62a_100000210063_100000765111 [0,1,0,0,1,0|2,0,0]=4 1407 B15R2.38 Cc1cnccc1Sc2cccnc2 62a_100000765111_100000210063 [0,1,0,0,1,0|2,0,0]=4 1408 B15R2.38 Cc1cnccc1Sc2ccncc2 62a_100000728582_100000765111 [0,1,0,0,1,0|0,0,0]=2 1409 B15R2.38 Cc1cnccc1Sc2ccncc2 62a_100000765111_100000728582 [0,1,0,0,1,0|0,0,0]=2 1410 B15R2.38 Cc1cnccc1Sc2ccncn2 62a_100000703185_100000765111 [0,1,0,0,1,0|1,0,0]=3 1411 B15R2.38 Cc1cnccc1Sc2ccncn2 62a_100000765111_100000703185 [0,1,0,0,1,0|1,0,0]=3 1412 B15R2.38 Cc1cnccc1Sc2ccnnc2 62a_100000732662_100000765111 [0,1,0,0,1,0|1,0,0]=3 1413 B15R2.38 Cc1cnccc1Sc2ccnnc2 62a_100000765111_100000732662 [0,1,0,0,1,0|1,0,0]=3 1414 B15R2.38 Cc1cnccc1Sc2cnnnc2 62a_100000765111_100009846058 [0,1,0,0,1,0|2,0,0]=4 1415 B15R2.38 Cc1cnccc1Sc2cnnnc2 62a_100009846058_100000765111 [0,1,0,0,1,0|2,0,0]=4 1416 B15R2.38 Cc1cncnc1Sc2ccccc2 62a_100000719477_100011998708 [0,1,0,0,1,0|2,0,0]=4 1417 B15R2.38 Cc1cncnc1Sc2ccccc2 62a_100011998708_100000041952 [0,1,0,0,1,0|2,0,0]=4 1418 B15R2.38 Cc1cncnc1Sc2ccncc2 62a_100000728582_100011998708 [0,1,0,0,1,0|1,0,0]=3 1419 B15R2.38 Cc1cncnc1Sc2ccncc2 62a_100011998708_100000728582 [0,1,0,0,1,0|1,0,0]=3 1420 B15R2.38 Cc1cncnc1Sc2ccncn2 62a_100000703185_100011998708 [0,1,0,0,1,0|2,0,0]=4 1421 B15R2.38 Cc1cncnc1Sc2ccncn2 62a_100011998708_100000703185 [0,1,0,0,1,0|2,0,0]=4 1422 B15R2.38 Cc1cncnc1Sc2ccnnc2 62a_100000732662_100011998708 [0,1,0,0,1,0|2,0,0]=4 1423 B15R2.38 Cc1cncnc1Sc2ccnnc2 62a_100011998708_100000732662 [0,1,0,0,1,0|2,0,0]=4 1424 B15R2.38 Cc1ncccc1Sc2ccncc2 62a_100000728582_100000751574 [0,1,0,0,1,0|2,0,0]=4 1425 B15R2.38 Cc1ncccc1Sc2ccncc2 62a_100000751574_100000728582 [0,1,0,0,1,0|2,0,0]=4 1426 B15R2.38 Clc1ccccc1Sc2ccccc2 62a_100000719477_100000764095 [0,1,0,0,1,0|2,0,0]=4 1427 B15R2.38 Clc1ccccc1Sc2ccccc2 62a_100000764095_100000041952 [0,1,0,0,1,0|2,0,0]=4 1428 B15R2.38 Clc1ccccc1Sc2ccncc2 62a_100000728582_100000764095 [0,1,0,0,1,0|1,0,0]=3 1429 B15R2.38 Clc1ccccc1Sc2ccncc2 62a_100000764095_100000728582 [0,1,0,0,1,0|1,0,0]=3 1430 B15R2.38 Clc1ccccc1Sc2ccncn2 62a_100000703185_100000764095 [0,1,0,0,1,0|2,0,0]=4 1431 B15R2.38 Clc1ccccc1Sc2ccncn2 62a_100000764095_100000703185 [0,1,0,0,1,0|2,0,0]=4 1432 B15R2.38 Clc1ccccc1Sc2ccnnc2 62a_100000732662_100000764095 [0,1,0,0,1,0|2,0,0]=4 1433 B15R2.38 Clc1ccccc1Sc2ccnnc2 62a_100000764095_100000732662 [0,1,0,0,1,0|2,0,0]=4 1434 B15R2.38 Clc1cccnc1Sc2ccncc2 62a_100000728582_100011356963 [0,1,0,0,1,0|2,0,0]=4 1435 B15R2.38 Clc1cccnc1Sc2ccncc2 62a_100011356963_100000728582 [0,1,0,0,1,0|2,0,0]=4 1436 B15R2.38 Clc1ccncc1Sc2ccncc2 62a_100000728582_100009995489 [0,1,0,0,1,0|2,0,0]=4 1437 B15R2.38 Clc1ccncc1Sc2ccncc2 62a_100009995489_100000728582 [0,1,0,0,1,0|2,0,0]=4 1438 B15R2.38 Clc1cnccc1Sc2ccccc2 62a_100000708259_100000041952 [0,1,0,0,1,0|1,0,0]=3 1439 B15R2.38 Clc1cnccc1Sc2ccccc2 62a_100000719477_100000708259 [0,1,0,0,1,0|1,0,0]=3 1440 B15R2.38 Clc1cnccc1Sc2ccccn2 62a_100000708259_100011216584 [0,1,0,0,1,0|2,0,0]=4 1441 B15R2.38 Clc1cnccc1Sc2ccccn2 62a_100011216584_100000708259 [0,1,0,0,1,0|2,0,0]=4 1442 B15R2.38 Clc1cnccc1Sc2cccnc2 62a_100000210063_100000708259 [0,1,0,0,1,0|2,0,0]=4 1443 B15R2.38 Clc1cnccc1Sc2cccnc2 62a_100000708259_100000210063 [0,1,0,0,1,0|2,0,0]=4 1444 B15R2.38 Clc1cnccc1Sc2ccncc2 62a_100000708259_100000728582 [0,1,0,0,1,0|0,0,0]=2 1445 B15R2.38 Clc1cnccc1Sc2ccncc2 62a_100000728582_100000708259 [0,1,0,0,1,0|0,0,0]=2 1446 B15R2.38 Clc1cnccc1Sc2ccncn2 62a_100000703185_100000708259 [0,1,0,0,1,0|1,0,0]=3 1447 B15R2.38 Clc1cnccc1Sc2ccncn2 62a_100000708259_100000703185 [0,1,0,0,1,0|1,0,0]=3 1448 B15R2.38 Clc1cnccc1Sc2ccnnc2 62a_100000708259_100000732662 [0,1,0,0,1,0|1,0,0]=3 1449 B15R2.38 Clc1cnccc1Sc2ccnnc2 62a_100000732662_100000708259 [0,1,0,0,1,0|1,0,0]=3 1450 B15R2.38 Clc1cnccc1Sc2cnnnc2 62a_100000708259_100009846058 [0,1,0,0,1,0|2,0,0]=4 1451 B15R2.38 Clc1cnccc1Sc2cnnnc2 62a_100009846058_100000708259 [0,1,0,0,1,0|2,0,0]=4 1452 B15R2.38 Clc1ncccc1Sc2ccncc2 62a_100000036424_100000728582 [0,1,0,0,1,0|2,0,0]=4 1453 B15R2.38 Clc1ncccc1Sc2ccncc2 62a_100000728582_100000036424 [0,1,0,0,1,0|2,0,0]=4 1454 B15R2.38 Fc1ccccc1Sc2ccccc2 62a_100000719477_100011215700 [0,1,0,0,1,0|2,0,0]=4 1455 B15R2.38 Fc1ccccc1Sc2ccccc2 62a_100011215700_100000041952 [0,1,0,0,1,0|2,0,0]=4 1456 B15R2.38 Fc1ccccc1Sc2ccncc2 62a_100000728582_100011215700 [0,1,0,0,1,0|1,0,0]=3 1457 B15R2.38 Fc1ccccc1Sc2ccncc2 62a_100011215700_100000728582 [0,1,0,0,1,0|1,0,0]=3 1458 B15R2.38 Fc1ccccc1Sc2ccncn2 62a_100000703185_100011215700 [0,1,0,0,1,0|2,0,0]=4 1459 B15R2.38 Fc1ccccc1Sc2ccncn2 62a_100011215700_100000703185 [0,1,0,0,1,0|2,0,0]=4 1460 B15R2.38 Fc1ccccc1Sc2ccnnc2 62a_100000732662_100011215700 [0,1,0,0,1,0|2,0,0]=4 1461 B15R2.38 Fc1ccccc1Sc2ccnnc2 62a_100011215700_100000732662 [0,1,0,0,1,0|2,0,0]=4 1462 B15R2.38 Fc1cccnc1Sc2ccncc2 62a_100000685392_100000728582 [0,1,0,0,1,0|2,0,0]=4 1463 B15R2.38 Fc1cccnc1Sc2ccncc2 62a_100000728582_100000685392 [0,1,0,0,1,0|2,0,0]=4 1464 B15R2.38 Fc1ccncc1Sc2ccncc2 62a_100000728582_100009820683 [0,1,0,0,1,0|2,0,0]=4 1465 B15R2.38 Fc1ccncc1Sc2ccncc2 62a_100009820683_100000728582 [0,1,0,0,1,0|2,0,0]=4 1466 B15R2.38 Fc1cnccc1Nc2ccccc2 27a_100000106764_100000035921 [0,1,0,0,1,0|2,0,0]=4 1467 B15R2.38 Fc1cnccc1Sc2ccccc2 62a_100000047030_100000041952 [0,1,0,0,1,0|1,0,0]=3 1468 B15R2.38 Fc1cnccc1Sc2ccccc2 62a_100000719477_100000047030 [0,1,0,0,1,0|1,0,0]=3 1469 B15R2.38 Fc1cnccc1Sc2ccccn2 62a_100000047030_100011216584 [0,1,0,0,1,0|2,0,0]=4 1470 B15R2.38 Fc1cnccc1Sc2ccccn2 62a_100011216584_100000047030 [0,1,0,0,1,0|2,0,0]=4 1471 B15R2.38 Fc1cnccc1Sc2cccnc2 62a_100000047030_100000210063 [0,1,0,0,1,0|2,0,0]=4 1472 B15R2.38 Fc1cnccc1Sc2cccnc2 62a_100000210063_100000047030 [0,1,0,0,1,0|2,0,0]=4 1473 B15R2.38 Fc1cnccc1Sc2ccncc2 62a_100000047030_100000728582 [0,1,0,0,1,0|0,0,0]=2 1474 B15R2.38 Fc1cnccc1Sc2ccncc2 62a_100000728582_100000047030 [0,1,0,0,1,0|0,0,0]=2 1475 B15R2.38 Fc1cnccc1Sc2ccncn2 62a_100000047030_100000703185 [0,1,0,0,1,0|1,0,0]=3 1476 B15R2.38 Fc1cnccc1Sc2ccncn2 62a_100000703185_100000047030 [0,1,0,0,1,0|1,0,0]=3 1477 B15R2.38 Fc1cnccc1Sc2ccnnc2 62a_100000047030_100000732662 [0,1,0,0,1,0|1,0,0]=3 1478 B15R2.38 Fc1cnccc1Sc2ccnnc2 62a_100000732662_100000047030 [0,1,0,0,1,0|1,0,0]=3 1479 B15R2.38 Fc1cnccc1Sc2cnnnc2 62a_100000047030_100009846058 [0,1,0,0,1,0|2,0,0]=4 1480 B15R2.38 Fc1cnccc1Sc2cnnnc2 62a_100009846058_100000047030 [0,1,0,0,1,0|2,0,0]=4 1481 B15R2.38 Fc1cncnc1Sc2ccccc2 62a_100000069762_100000041952 [0,1,0,0,1,0|2,0,0]=4 1482 B15R2.38 Fc1cncnc1Sc2ccccc2 62a_100000719477_100000069762 [0,1,0,0,1,0|2,0,0]=4 1483 B15R2.38 Fc1cncnc1Sc2ccncc2 62a_100000069762_100000728582 [0,1,0,0,1,0|1,0,0]=3 1484 B15R2.38 Fc1cncnc1Sc2ccncc2 62a_100000728582_100000069762 [0,1,0,0,1,0|1,0,0]=3 1485 B15R2.38 Fc1cncnc1Sc2ccncn2 62a_100000069762_100000703185 [0,1,0,0,1,0|2,0,0]=4 1486 B15R2.38 Fc1cncnc1Sc2ccncn2 62a_100000703185_100000069762 [0,1,0,0,1,0|2,0,0]=4 1487 B15R2.38 Fc1cncnc1Sc2ccnnc2 62a_100000069762_100000732662 [0,1,0,0,1,0|2,0,0]=4 1488 B15R2.38 Fc1cncnc1Sc2ccnnc2 62a_100000732662_100000069762 [0,1,0,0,1,0|2,0,0]=4 1489 B15R2.38 Fc1ncccc1Sc2ccncc2 62a_100000728582_100009816115 [0,1,0,0,1,0|2,0,0]=4 1490 B15R2.38 Fc1ncccc1Sc2ccncc2 62a_100009816115_100000728582 [0,1,0,0,1,0|2,0,0]=4 1491 B15R2.38 Nc1ccccc1Sc2ccccc2 62a_100000210017_100000041952 [0,1,0,0,1,0|2,0,0]=4 1492 B15R2.38 Nc1ccccc1Sc2ccccc2 62a_100000719477_100000210017 [0,1,0,0,1,0|2,0,0]=4 1493 B15R2.38 Nc1ccccc1Sc2ccncc2 62a_100000210017_100000728582 [0,1,0,0,1,0|1,0,0]=3 1494 B15R2.38 Nc1ccccc1Sc2ccncc2 62a_100000728582_100000210017 [0,1,0,0,1,0|1,0,0]=3 1495 B15R2.38 Nc1ccccc1Sc2ccncn2 62a_100000210017_100000703185 [0,1,0,0,1,0|2,0,0]=4 1496 B15R2.38 Nc1ccccc1Sc2ccncn2 62a_100000703185_100000210017 [0,1,0,0,1,0|2,0,0]=4 1497 B15R2.38 Nc1ccccc1Sc2ccnnc2 62a_100000210017_100000732662 [0,1,0,0,1,0|2,0,0]=4 1498 B15R2.38 Nc1ccccc1Sc2ccnnc2 62a_100000732662_100000210017 [0,1,0,0,1,0|2,0,0]=4 1499 B15R2.38 Nc1cccnc1Sc2ccncc2 62a_100000688686_100000728582 [0,1,0,0,1,0|2,0,0]=4 1500 B15R2.38 Nc1cccnc1Sc2ccncc2 62a_100000728582_100000688686 [0,1,0,0,1,0|2,0,0]=4 1501 B15R2.38 Nc1ccncc1Sc2ccncc2 62a_100000047001_100000728582 [0,1,0,0,1,0|2,0,0]=4 1502 B15R2.38 Nc1ccncc1Sc2ccncc2 62a_100000728582_100000047001 [0,1,0,0,1,0|2,0,0]=4 1503 B15R2.38 Nc1cnccc1Sc2ccccc2 62a_100000719477_100000756074 [0,1,0,0,1,0|1,0,0]=3 1504 B15R2.38 Nc1cnccc1Sc2ccccc2 62a_100000756074_100000041952 [0,1,0,0,1,0|1,0,0]=3 1505 B15R2.38 Nc1cnccc1Sc2ccccn2 62a_100000756074_100011216584 [0,1,0,0,1,0|2,0,0]=4 1506 B15R2.38 Nc1cnccc1Sc2ccccn2 62a_100011216584_100000756074 [0,1,0,0,1,0|2,0,0]=4 1507 B15R2.38 Nc1cnccc1Sc2cccnc2 62a_100000210063_100000756074 [0,1,0,0,1,0|2,0,0]=4 1508 B15R2.38 Nc1cnccc1Sc2cccnc2 62a_100000756074_100000210063 [0,1,0,0,1,0|2,0,0]=4 1509 B15R2.38 Nc1cnccc1Sc2ccncc2 62a_100000728582_100000756074 [0,1,0,0,1,0|0,0,0]=2 1510 B15R2.38 Nc1cnccc1Sc2ccncc2 62a_100000756074_100000728582 [0,1,0,0,1,0|0,0,0]=2 1511 B15R2.38 Nc1cnccc1Sc2ccncn2 62a_100000703185_100000756074 [0,1,0,0,1,0|1,0,0]=3 1512 B15R2.38 Nc1cnccc1Sc2ccncn2 62a_100000756074_100000703185 [0,1,0,0,1,0|1,0,0]=3 1513 B15R2.38 Nc1cnccc1Sc2ccnnc2 62a_100000732662_100000756074 [0,1,0,0,1,0|1,0,0]=3 1514 B15R2.38 Nc1cnccc1Sc2ccnnc2 62a_100000756074_100000732662 [0,1,0,0,1,0|1,0,0]=3 1515 B15R2.38 Nc1cnccc1Sc2cnnnc2 62a_100000756074_100009846058 [0,1,0,0,1,0|2,0,0]=4 1516 B15R2.38 Nc1cnccc1Sc2cnnnc2 62a_100009846058_100000756074 [0,1,0,0,1,0|2,0,0]=4 1517 B15R2.38 Nc1cncnc1Sc2ccccc2 62a_100000709731_100000041952 [0,1,0,0,1,0|2,0,0]=4 1518 B15R2.38 Nc1cncnc1Sc2ccccc2 62a_100000719477_100000709731 [0,1,0,0,1,0|2,0,0]=4 1519 B15R2.38 Nc1cncnc1Sc2ccncc2 62a_100000709731_100000728582 [0,1,0,0,1,0|1,0,0]=3 1520 B15R2.38 Nc1cncnc1Sc2ccncc2 62a_100000728582_100000709731 [0,1,0,0,1,0|1,0,0]=3 1521 B15R2.38 Nc1cncnc1Sc2ccncn2 62a_100000703185_100000709731 [0,1,0,0,1,0|2,0,0]=4 1522 B15R2.38 Nc1cncnc1Sc2ccncn2 62a_100000709731_100000703185 [0,1,0,0,1,0|2,0,0]=4 1523 B15R2.38 Nc1cncnc1Sc2ccnnc2 62a_100000709731_100000732662 [0,1,0,0,1,0|2,0,0]=4 1524 B15R2.38 Nc1cncnc1Sc2ccnnc2 62a_100000732662_100000709731 [0,1,0,0,1,0|2,0,0]=4 1525 B15R2.38 Nc1cnncc1Sc2ccccc2 62a_100000719477_100009829405 [0,1,0,0,1,0|2,0,0]=4 1526 B15R2.38 Nc1cnncc1Sc2ccccc2 62a_100009829405_100000041952 [0,1,0,0,1,0|2,0,0]=4 1527 B15R2.38 Nc1cnncc1Sc2ccncc2 62a_100000728582_100009829405 [0,1,0,0,1,0|1,0,0]=3 1528 B15R2.38 Nc1cnncc1Sc2ccncc2 62a_100009829405_100000728582 [0,1,0,0,1,0|1,0,0]=3 1529 B15R2.38 Nc1cnncc1Sc2ccncn2 62a_100000703185_100009829405 [0,1,0,0,1,0|2,0,0]=4 1530 B15R2.38 Nc1cnncc1Sc2ccncn2 62a_100009829405_100000703185 [0,1,0,0,1,0|2,0,0]=4 1531 B15R2.38 Nc1cnncc1Sc2ccnnc2 62a_100000732662_100009829405 [0,1,0,0,1,0|2,0,0]=4 1532 B15R2.38 Nc1cnncc1Sc2ccnnc2 62a_100009829405_100000732662 [0,1,0,0,1,0|2,0,0]=4 1533 B15R2.38 Nc1ncccc1Sc2ccncc2 62a_100000045569_100000728582 [0,1,0,0,1,0|2,0,0]=4 1534 B15R2.38 Nc1ncccc1Sc2ccncc2 62a_100000728582_100000045569 [0,1,0,0,1,0|2,0,0]=4 1535 B15R2.38 O=c1[nH]nccc1Sc2ccccc2 62a_100000719477_100000087129 [0,1,0,0,1,0|2,0,0]=4 1536 B15R2.38 O=c1[nH]nccc1Sc2ccncc2 62a_100000728582_100000087129 [0,1,0,0,1,0|1,0,0]=3 1537 B15R2.38 O=c1[nH]nccc1Sc2ccncn2 62a_100000703185_100000087129 [0,1,0,0,1,0|2,0,0]=4 1538 B15R2.38 O=c1[nH]nccc1Sc2ccnnc2 62a_100000732662_100000087129 [0,1,0,0,1,0|2,0,0]=4 1539 B15R2.38 O=c1cc[nH]cc1Sc2ccncc2 62a_100000728582_100009998708 [0,1,0,0,1,0|2,0,0]=4 1540 B15R2.38 O=c1cc[nH]cc1Sc2ccncc2 62a_100009998708_100000728582 [0,1,0,0,1,0|2,0,0]=4 1541 B15R2.38 Oc1ccccc1Sc2ccccc2 62a_100000719477_100000739446 [0,1,0,0,1,0|2,0,0]=4 1542 B15R2.38 Oc1ccccc1Sc2ccccc2 62a_100000739446_100000041952 [0,1,0,0,1,0|2,0,0]=4 1543 B15R2.38 Oc1ccccc1Sc2ccncc2 62a_100000728582_100000739446 [0,1,0,0,1,0|1,0,0]=3 1544 B15R2.38 Oc1ccccc1Sc2ccncc2 62a_100000739446_100000728582 [0,1,0,0,1,0|1,0,0]=3 1545 B15R2.38 Oc1ccccc1Sc2ccncn2 62a_100000703185_100000739446 [0,1,0,0,1,0|2,0,0]=4 1546 B15R2.38 Oc1ccccc1Sc2ccncn2 62a_100000739446_100000703185 [0,1,0,0,1,0|2,0,0]=4 1547 B15R2.38 Oc1ccccc1Sc2ccnnc2 62a_100000732662_100000739446 [0,1,0,0,1,0|2,0,0]=4 1548 B15R2.38 Oc1ccccc1Sc2ccnnc2 62a_100000739446_100000732662 [0,1,0,0,1,0|2,0,0]=4 1549 B15R2.38 Oc1cccnc1Sc2ccncc2 62a_100000034122_100000728582 [0,1,0,0,1,0|2,0,0]=4 1550 B15R2.38 Oc1cccnc1Sc2ccncc2 62a_100000728582_100000034122 [0,1,0,0,1,0|2,0,0]=4 1551 B15R2.38 Oc1cnccc1Sc2ccccc2 62a_100000719477_100009817591 [0,1,0,0,1,0|1,0,0]=3 1552 B15R2.38 Oc1cnccc1Sc2ccccc2 62a_100009817591_100000041952 [0,1,0,0,1,0|1,0,0]=3 1553 B15R2.38 Oc1cnccc1Sc2ccccn2 62a_100009817591_100011216584 [0,1,0,0,1,0|2,0,0]=4 1554 B15R2.38 Oc1cnccc1Sc2ccccn2 62a_100011216584_100009817591 [0,1,0,0,1,0|2,0,0]=4 1555 B15R2.38 Oc1cnccc1Sc2cccnc2 62a_100000210063_100009817591 [0,1,0,0,1,0|2,0,0]=4 1556 B15R2.38 Oc1cnccc1Sc2cccnc2 62a_100009817591_100000210063 [0,1,0,0,1,0|2,0,0]=4 1557 B15R2.38 Oc1cnccc1Sc2ccncc2 62a_100000728582_100009817591 [0,1,0,0,1,0|0,0,0]=2 1558 B15R2.38 Oc1cnccc1Sc2ccncc2 62a_100009817591_100000728582 [0,1,0,0,1,0|0,0,0]=2 1559 B15R2.38 Oc1cnccc1Sc2ccncn2 62a_100000703185_100009817591 [0,1,0,0,1,0|1,0,0]=3 1560 B15R2.38 Oc1cnccc1Sc2ccncn2 62a_100009817591_100000703185 [0,1,0,0,1,0|1,0,0]=3 1561 B15R2.38 Oc1cnccc1Sc2ccnnc2 62a_100000732662_100009817591 [0,1,0,0,1,0|1,0,0]=3 1562 B15R2.38 Oc1cnccc1Sc2ccnnc2 62a_100009817591_100000732662 [0,1,0,0,1,0|1,0,0]=3 1563 B15R2.38 Oc1cnccc1Sc2cnnnc2 62a_100009817591_100009846058 [0,1,0,0,1,0|2,0,0]=4 1564 B15R2.38 Oc1cnccc1Sc2cnnnc2 62a_100009846058_100009817591 [0,1,0,0,1,0|2,0,0]=4 1565 B15R2.38 Oc1ncccc1Sc2ccncc2 62a_100000728582_100000760158 [0,1,0,0,1,0|2,0,0]=4 1566 B15R2.38 Oc1ncccc1Sc2ccncc2 62a_100000760158_100000728582 [0,1,0,0,1,0|2,0,0]=4 1567 B15R2.38 S=c1cc[nH]cc1Sc2ccncc2 62a_100000728582_200012280681 [0,1,0,0,1,0|2,0,0]=4 1568 B15R2.38 S=c1cc[nH]cc1Sc2ccncc2 62a_200012280681_100000728582 [0,1,0,0,1,0|2,0,0]=4 1569 B15R2.38 [O-][n+]1ccccc1Sc2ccncc2 62a_100000728582_200000042595 [0,1,0,0,1,0|2,0,0]=4 1570 B15R2.2226 C=C(c1ccccc1)c2ccncc2 271570a_100000068269_100000035832 [0,1,0,0,1,0|2,0,0]=4 1571 B15R2.55 Brc1ccsc1SCc2ccncc2 62a_100012361411_100015193705 [0,1,0,0,1,0|2,0,0]=4 1572 B15R2.55 Brc1ccsc1SCc2ccncc2 62a_100015193705_100012361411 [0,1,0,0,1,0|2,0,0]=4 1573 B15R2.55 Brc1cscc1SCc2ccncc2 62a_100010143727_100015193705 [0,1,0,0,1,0|2,0,0]=4 1574 B15R2.55 Brc1cscc1SCc2ccncc2 62a_100015193705_100010143727 [0,1,0,0,1,0|2,0,0]=4 1575 B15R2.55 Brc1n[nH]cc1SCc2ccncc2 62a_100011012988_100015193705 [0,1,0,0,1,0|2,0,0]=4 1576 B15R2.55 Brc1n[nH]cc1SCc2ccncc2 62a_100015193705_100011012988 [0,1,0,0,1,0|2,0,0]=4 1577 B15R2.55 Brc1sccc1CSc2ccncc2 62a_100000728582_100009814289 [0,1,0,0,1,0|2,0,0]=4 1578 B15R2.55 Brc1sccc1CSc2ccncc2 62a_100009814289_100000728582 [0,1,0,0,1,0|2,0,0]=4 1579 B15R2.55 Cc1ccsc1SCc2ccncc2 62a_100010247149_100015193705 [0,1,0,0,1,0|2,0,0]=4 1580 B15R2.55 Cc1ccsc1SCc2ccncc2 62a_100015193705_100010247149 [0,1,0,0,1,0|2,0,0]=4 1581 B15R2.55 Cc1cscc1SCc2ccncc2 62a_100000759966_100015193705 [0,1,0,0,1,0|2,0,0]=4 1582 B15R2.55 Cc1cscc1SCc2ccncc2 62a_100015193705_100000759966 [0,1,0,0,1,0|2,0,0]=4 1583 B15R2.55 Cc1n[nH]cc1SCc2ccncc2 62a_100000692133_100015193705 [0,1,0,0,1,0|2,0,0]=4 1584 B15R2.55 Cc1n[nH]cc1SCc2ccncc2 62a_100015193705_100000692133 [0,1,0,0,1,0|2,0,0]=4 1585 B15R2.55 Cc1ncsc1SCc2ccncc2 62a_100009817116_100015193705 [0,1,0,0,1,0|2,0,0]=4 1586 B15R2.55 Cc1ncsc1SCc2ccncc2 62a_100015193705_100009817116 [0,1,0,0,1,0|2,0,0]=4 1587 B15R2.55 Cc1oncc1SCc2ccncc2 62a_100009872056_100015193705 [0,1,0,0,1,0|2,0,0]=4 1588 B15R2.55 Cc1oncc1SCc2ccncc2 62a_100015193705_100009872056 [0,1,0,0,1,0|2,0,0]=4 1589 B15R2.55 Cc1sccc1SCc2ccncc2 62a_100000684487_100015193705 [0,1,0,0,1,0|2,0,0]=4 1590 B15R2.55 Cc1sccc1SCc2ccncc2 62a_100015193705_100000684487 [0,1,0,0,1,0|2,0,0]=4 1591 B15R2.55 Clc1nc[nH]c1SCc2ccncc2 62a_100010200774_100015193705 [0,1,0,0,1,0|2,0,0]=4 1592 B15R2.55 Clc1nc[nH]c1SCc2ccncc2 62a_100015193705_100010200774 [0,1,0,0,1,0|2,0,0]=4 1593 B15R2.55 Clc1sccc1CSc2ccncc2 62a_100000728582_100010167017 [0,1,0,0,1,0|2,0,0]=4 1594 B15R2.55 Clc1sccc1CSc2ccncc2 62a_100010167017_100000728582 [0,1,0,0,1,0|2,0,0]=4 1595 B15R2.55 Cn1cncc1SCc2ccncc2 62a_100009814087_100015193705 [0,1,0,0,1,0|2,0,0]=4 1596 B15R2.55 Cn1cncc1SCc2ccncc2 62a_100015193705_100009814087 [0,1,0,0,1,0|2,0,0]=4 1597 B15R2.55 Cn1nccc1CSc2ccncc2 62a_100000691648_100000728582 [0,1,0,0,1,0|2,0,0]=4 1598 B15R2.55 Cn1nccc1CSc2ccncc2 62a_100000728582_100000691648 [0,1,0,0,1,0|2,0,0]=4 1599 B15R2.55 Cn1nccc1SCc2ccncc2 62a_100000688441_100015193705 [0,1,0,0,1,0|2,0,0]=4 1600 B15R2.55 Cn1nccc1SCc2ccncc2 62a_100015193705_100000688441 [0,1,0,0,1,0|2,0,0]=4 1601 B15R2.55 Fc1n[nH]cc1SCc2ccncc2 62a_100015193705_100015597042 [0,1,0,0,1,0|2,0,0]=4 1602 B15R2.55 Fc1n[nH]cc1SCc2ccncc2 62a_100015597042_100015193705 [0,1,0,0,1,0|2,0,0]=4 1603 B15R2.55 Nc1n[nH]cc1SCc2ccncc2 62a_100000717100_100015193705 [0,1,0,0,1,0|2,0,0]=4 1604 B15R2.55 Nc1n[nH]cc1SCc2ccncc2 62a_100015193705_100000717100 [0,1,0,0,1,0|2,0,0]=4 1605 B15R2.55 Nc1nocc1SCc2ccncc2 62a_100012597345_100015193705 [0,1,0,0,1,0|2,0,0]=4 1606 B15R2.55 Nc1nocc1SCc2ccncc2 62a_100015193705_100012597345 [0,1,0,0,1,0|2,0,0]=4 1607 B15R2.283 Brc1cc([nH]n1)SCc2ccncc2 62a_100015193705_100160470719 [0,1,0,0,1,0|2,0,0]=4 1608 B15R2.283 Brc1cc([nH]n1)SCc2ccncc2 62a_100160470719_100015193705 [0,1,0,0,1,0|2,0,0]=4 1609 B15R2.283 Brc1cc(on1)CSc2ccncc2 62a_100000709089_100000728582 [0,1,0,0,1,0|2,0,0]=4 1610 B15R2.283 Brc1cc(on1)CSc2ccncc2 62a_100000728582_100000709089 [0,1,0,0,1,0|2,0,0]=4 1611 B15R2.283 Brc1ccc(s1)CSc2ccncc2 62a_100000708592_100000728582 [0,1,0,0,1,0|2,0,0]=4 1612 B15R2.283 Brc1ccc(s1)CSc2ccncc2 62a_100000728582_100000708592 [0,1,0,0,1,0|2,0,0]=4 1613 B15R2.283 Brc1ccc(s1)SCc2ccncc2 62a_100010197418_100015193705 [0,1,0,0,1,0|2,0,0]=4 1614 B15R2.283 Brc1ccc(s1)SCc2ccncc2 62a_100015193705_100010197418 [0,1,0,0,1,0|2,0,0]=4 1615 B15R2.283 Brc1csc(c1)CSc2ccncc2 62a_100000728582_100000746031 [0,1,0,0,1,0|2,0,0]=4 1616 B15R2.283 Brc1csc(c1)CSc2ccncc2 62a_100000746031_100000728582 [0,1,0,0,1,0|2,0,0]=4 1617 B15R2.283 Brc1ncc(s1)CSc2ccncc2 62a_100000717027_100000728582 [0,1,0,0,1,0|2,0,0]=4 1618 B15R2.283 Brc1ncc(s1)CSc2ccncc2 62a_100000728582_100000717027 [0,1,0,0,1,0|2,0,0]=4 1619 B15R2.283 Brc1ncc(s1)SCc2ccncc2 62a_100012357534_100015193705 [0,1,0,0,1,0|2,0,0]=4 1620 B15R2.283 Brc1ncc(s1)SCc2ccncc2 62a_100015193705_100012357534 [0,1,0,0,1,0|2,0,0]=4 1621 B15R2.283 Cc1cc(cs1)SCc2ccncc2 62a_100000759034_100015193705 [0,1,0,0,1,0|2,0,0]=4 1622 B15R2.283 Cc1cc(cs1)SCc2ccncc2 62a_100015193705_100000759034 [0,1,0,0,1,0|2,0,0]=4 1623 B15R2.283 Cc1cc(on1)CSc2ccncc2 62a_100000707947_100000728582 [0,1,0,0,1,0|2,0,0]=4 1624 B15R2.283 Cc1cc(on1)CSc2ccncc2 62a_100000728582_100000707947 [0,1,0,0,1,0|2,0,0]=4 1625 B15R2.283 Cc1cc(sn1)SCc2ccncc2 62a_100009815735_100015193705 [0,1,0,0,1,0|2,0,0]=4 1626 B15R2.283 Cc1cc(sn1)SCc2ccncc2 62a_100015193705_100009815735 [0,1,0,0,1,0|2,0,0]=4 1627 B15R2.283 Cc1ccc(s1)SCc2ccncc2 62a_100000031368_100015193705 [0,1,0,0,1,0|2,0,0]=4 1628 B15R2.283 Cc1ccc(s1)SCc2ccncc2 62a_100015193705_100000031368 [0,1,0,0,1,0|2,0,0]=4 1629 B15R2.283 Cc1csc(c1)SCc2ccncc2 62a_100009876951_100015193705 [0,1,0,0,1,0|2,0,0]=4 1630 B15R2.283 Cc1csc(c1)SCc2ccncc2 62a_100015193705_100009876951 [0,1,0,0,1,0|2,0,0]=4 1631 B15R2.283 Cc1ncc(s1)CSc2ccncc2 62a_100000728582_100020635045 [0,1,0,0,1,0|2,0,0]=4 1632 B15R2.283 Cc1ncc(s1)CSc2ccncc2 62a_100020635045_100000728582 [0,1,0,0,1,0|2,0,0]=4 1633 B15R2.283 Cc1ncc(s1)SCc2ccncc2 62a_100000764884_100015193705 [0,1,0,0,1,0|2,0,0]=4 1634 B15R2.283 Cc1ncc(s1)SCc2ccncc2 62a_100015193705_100000764884 [0,1,0,0,1,0|2,0,0]=4 1635 B15R2.283 Clc1ccc(s1)CSc2ccncc2 62a_100000185097_100000728582 [0,1,0,0,1,0|2,0,0]=4 1636 B15R2.283 Clc1ccc(s1)CSc2ccncc2 62a_100000728582_100000185097 [0,1,0,0,1,0|2,0,0]=4 1637 B15R2.283 Clc1ncc(s1)CSc2ccncc2 62a_100000058068_100000728582 [0,1,0,0,1,0|2,0,0]=4 1638 B15R2.283 Clc1ncc(s1)CSc2ccncc2 62a_100000728582_100000058068 [0,1,0,0,1,0|2,0,0]=4 1639 B15R2.283 Cn1cc(cn1)CSc2ccncc2 62a_100000728582_100000744441 [0,1,0,0,1,0|2,0,0]=4 1640 B15R2.283 Cn1cc(cn1)CSc2ccncc2 62a_100000744441_100000728582 [0,1,0,0,1,0|2,0,0]=4 1641 B15R2.283 Cn1cc(cn1)SCc2ccncc2 62a_100000745744_100015193705 [0,1,0,0,1,0|2,0,0]=4 1642 B15R2.283 Cn1cc(cn1)SCc2ccncc2 62a_100015193705_100000745744 [0,1,0,0,1,0|2,0,0]=4 1643 B15R2.283 Nc1ncc(s1)SCc2ccncc2 62a_100000718969_100015193705 [0,1,0,0,1,0|2,0,0]=4 1644 B15R2.283 Nc1ncc(s1)SCc2ccncc2 62a_100015193705_100000718969 [0,1,0,0,1,0|2,0,0]=4 1645 B15R2.562 Brc1cnccc1SCc2ccn[nH]2 62a_100000726257_100000728653 [0,1,0,0,1,0|2,0,0]=4 1646 B15R2.562 Brc1cnccc1SCc2ccn[nH]2 62a_100000728653_100000726257 [0,1,0,0,1,0|2,0,0]=4 1647 B15R2.562 Brc1cnccc1SCc2ccsc2 62a_100000726257_100011233845 [0,1,0,0,1,0|2,0,0]=4 1648 B15R2.562 Brc1cnccc1SCc2ccsc2 62a_100011261437_100000726257 [0,1,0,0,1,0|2,0,0]=4 1649 B15R2.562 Brc1cnccc1SCc2cncs2 62a_100000726257_100015185245 [0,1,0,0,1,0|2,0,0]=4 1650 B15R2.562 Brc1cnccc1SCc2cncs2 62a_100015185245_100000726257 [0,1,0,0,1,0|2,0,0]=4 1651 B15R2.562 Cc1cnccc1CSc2ccco2 62a_100009814098_100020672808 [0,1,0,0,1,0|2,0,0]=4 1652 B15R2.562 Cc1cnccc1CSc2ccco2 62a_100020672808_100009814098 [0,1,0,0,1,0|2,0,0]=4 1653 B15R2.562 Cc1cnccc1CSc2cccs2 62a_100011215356_100020672808 [0,1,0,0,1,0|2,0,0]=4 1654 B15R2.562 Cc1cnccc1CSc2cccs2 62a_100020672808_100011215356 [0,1,0,0,1,0|2,0,0]=4 1655 B15R2.562 Cc1cnccc1CSc2ccoc2 62a_100011215275_100020672808 [0,1,0,0,1,0|2,0,0]=4 1656 B15R2.562 Cc1cnccc1CSc2ccoc2 62a_100020672808_100011215275 [0,1,0,0,1,0|2,0,0]=4 1657 B15R2.562 Cc1cnccc1CSc2ccsc2 62a_100000738268_100020672808 [0,1,0,0,1,0|2,0,0]=4 1658 B15R2.562 Cc1cnccc1CSc2ccsc2 62a_100020672808_100000738268 [0,1,0,0,1,0|2,0,0]=4 1659 B15R2.562 Cc1cnccc1CSc2cn[nH]c2 62a_100000238712_100020672808 [0,1,0,0,1,0|2,0,0]=4 1660 B15R2.562 Cc1cnccc1CSc2cn[nH]c2 62a_100020672808_100000238712 [0,1,0,0,1,0|2,0,0]=4 1661 B15R2.562 Cc1cnccc1CSc2cnco2 62a_100020591547_100020672808 [0,1,0,0,1,0|2,0,0]=4 1662 B15R2.562 Cc1cnccc1CSc2cnco2 62a_100020672808_100020591547 [0,1,0,0,1,0|2,0,0]=4 1663 B15R2.562 Cc1cnccc1CSc2cncs2 62a_100011934649_100020672808 [0,1,0,0,1,0|2,0,0]=4 1664 B15R2.562 Cc1cnccc1CSc2cncs2 62a_100020672808_100011934649 [0,1,0,0,1,0|2,0,0]=4 1665 B15R2.562 Cc1cnccc1CSc2cnoc2 62a_100009815712_100020672808 [0,1,0,0,1,0|2,0,0]=4 1666 B15R2.562 Cc1cnccc1CSc2cnoc2 62a_100020672808_100009815712 [0,1,0,0,1,0|2,0,0]=4 1667 B15R2.562 Cc1cnccc1CSc2cnsc2 62a_100009815736_100020672808 [0,1,0,0,1,0|2,0,0]=4 1668 B15R2.562 Cc1cnccc1CSc2cnsc2 62a_100020672808_100009815736 [0,1,0,0,1,0|2,0,0]=4 1669 B15R2.562 Cc1cnccc1SCc2ccn[nH]2 62a_100000728653_100000765111 [0,1,0,0,1,0|2,0,0]=4 1670 B15R2.562 Cc1cnccc1SCc2ccn[nH]2 62a_100000765111_100000728653 [0,1,0,0,1,0|2,0,0]=4 1671 B15R2.562 Cc1cnccc1SCc2ccsc2 62a_100000765111_100011233845 [0,1,0,0,1,0|2,0,0]=4 1672 B15R2.562 Cc1cnccc1SCc2ccsc2 62a_100011261437_100000765111 [0,1,0,0,1,0|2,0,0]=4 1673 B15R2.562 Cc1cnccc1SCc2cncs2 62a_100000765111_100015185245 [0,1,0,0,1,0|2,0,0]=4 1674 B15R2.562 Cc1cnccc1SCc2cncs2 62a_100015185245_100000765111 [0,1,0,0,1,0|2,0,0]=4 1675 B15R2.562 Clc1cnccc1CSc2ccco2 62a_100000763264_100009814098 [0,1,0,0,1,0|2,0,0]=4 1676 B15R2.562 Clc1cnccc1CSc2ccco2 62a_100009814098_100000763264 [0,1,0,0,1,0|2,0,0]=4 1677 B15R2.562 Clc1cnccc1CSc2cccs2 62a_100000763264_100011215356 [0,1,0,0,1,0|2,0,0]=4 1678 B15R2.562 Clc1cnccc1CSc2cccs2 62a_100011215356_100000763264 [0,1,0,0,1,0|2,0,0]=4 1679 B15R2.562 Clc1cnccc1CSc2ccoc2 62a_100000763264_100011215275 [0,1,0,0,1,0|2,0,0]=4 1680 B15R2.562 Clc1cnccc1CSc2ccoc2 62a_100011215275_100000763264 [0,1,0,0,1,0|2,0,0]=4 1681 B15R2.562 Clc1cnccc1CSc2ccsc2 62a_100000738268_100000763264 [0,1,0,0,1,0|2,0,0]=4 1682 B15R2.562 Clc1cnccc1CSc2ccsc2 62a_100000763264_100000738268 [0,1,0,0,1,0|2,0,0]=4 1683 B15R2.562 Clc1cnccc1CSc2cn[nH]c2 62a_100000238712_100000763264 [0,1,0,0,1,0|2,0,0]=4 1684 B15R2.562 Clc1cnccc1CSc2cn[nH]c2 62a_100000763264_100000238712 [0,1,0,0,1,0|2,0,0]=4 1685 B15R2.562 Clc1cnccc1CSc2cnco2 62a_100000763264_100020591547 [0,1,0,0,1,0|2,0,0]=4 1686 B15R2.562 Clc1cnccc1CSc2cnco2 62a_100020591547_100000763264 [0,1,0,0,1,0|2,0,0]=4 1687 B15R2.562 Clc1cnccc1CSc2cncs2 62a_100000763264_100011934649 [0,1,0,0,1,0|2,0,0]=4 1688 B15R2.562 Clc1cnccc1CSc2cncs2 62a_100011934649_100000763264 [0,1,0,0,1,0|2,0,0]=4 1689 B15R2.562 Clc1cnccc1CSc2cnoc2 62a_100000763264_100009815712 [0,1,0,0,1,0|2,0,0]=4 1690 B15R2.562 Clc1cnccc1CSc2cnoc2 62a_100009815712_100000763264 [0,1,0,0,1,0|2,0,0]=4 1691 B15R2.562 Clc1cnccc1CSc2cnsc2 62a_100000763264_100009815736 [0,1,0,0,1,0|2,0,0]=4 1692 B15R2.562 Clc1cnccc1CSc2cnsc2 62a_100009815736_100000763264 [0,1,0,0,1,0|2,0,0]=4 1693 B15R2.562 Clc1cnccc1SCc2ccn[nH]2 62a_100000708259_100000728653 [0,1,0,0,1,0|2,0,0]=4 1694 B15R2.562 Clc1cnccc1SCc2ccn[nH]2 62a_100000728653_100000708259 [0,1,0,0,1,0|2,0,0]=4 1695 B15R2.562 Clc1cnccc1SCc2ccsc2 62a_100000708259_100011233845 [0,1,0,0,1,0|2,0,0]=4 1696 B15R2.562 Clc1cnccc1SCc2ccsc2 62a_100011261437_100000708259 [0,1,0,0,1,0|2,0,0]=4 1697 B15R2.562 Clc1cnccc1SCc2cncs2 62a_100000708259_100015185245 [0,1,0,0,1,0|2,0,0]=4 1698 B15R2.562 Clc1cnccc1SCc2cncs2 62a_100015185245_100000708259 [0,1,0,0,1,0|2,0,0]=4 1699 B15R2.562 Fc1cnccc1SCc2ccn[nH]2 62a_100000047030_100000728653 [0,1,0,0,1,0|2,0,0]=4 1700 B15R2.562 Fc1cnccc1SCc2ccn[nH]2 62a_100000728653_100000047030 [0,1,0,0,1,0|2,0,0]=4 1701 B15R2.562 Fc1cnccc1SCc2ccsc2 62a_100000047030_100011233845 [0,1,0,0,1,0|2,0,0]=4 1702 B15R2.562 Fc1cnccc1SCc2ccsc2 62a_100011261437_100000047030 [0,1,0,0,1,0|2,0,0]=4 1703 B15R2.562 Fc1cnccc1SCc2cncs2 62a_100000047030_100015185245 [0,1,0,0,1,0|2,0,0]=4 1704 B15R2.562 Fc1cnccc1SCc2cncs2 62a_100015185245_100000047030 [0,1,0,0,1,0|2,0,0]=4 1705 B15R2.562 Nc1cnccc1SCc2ccn[nH]2 62a_100000728653_100000756074 [0,1,0,0,1,0|2,0,0]=4 1706 B15R2.562 Nc1cnccc1SCc2ccn[nH]2 62a_100000756074_100000728653 [0,1,0,0,1,0|2,0,0]=4 1707 B15R2.562 Nc1cnccc1SCc2ccsc2 62a_100000756074_100011233845 [0,1,0,0,1,0|2,0,0]=4 1708 B15R2.562 Nc1cnccc1SCc2ccsc2 62a_100011261437_100000756074 [0,1,0,0,1,0|2,0,0]=4 1709 B15R2.562 Nc1cnccc1SCc2cncs2 62a_100000756074_100015185245 [0,1,0,0,1,0|2,0,0]=4 1710 B15R2.562 Nc1cnccc1SCc2cncs2 62a_100015185245_100000756074 [0,1,0,0,1,0|2,0,0]=4 1711 B15R2.562 Oc1cnccc1SCc2ccn[nH]2 62a_100000728653_100009817591 [0,1,0,0,1,0|2,0,0]=4 1712 B15R2.562 Oc1cnccc1SCc2ccn[nH]2 62a_100009817591_100000728653 [0,1,0,0,1,0|2,0,0]=4 1713 B15R2.562 Oc1cnccc1SCc2ccsc2 62a_100009817591_100011233845 [0,1,0,0,1,0|2,0,0]=4 1714 B15R2.562 Oc1cnccc1SCc2ccsc2 62a_100011261437_100009817591 [0,1,0,0,1,0|2,0,0]=4 1715 B15R2.562 Oc1cnccc1SCc2cncs2 62a_100009817591_100015185245 [0,1,0,0,1,0|2,0,0]=4 1716 B15R2.562 Oc1cnccc1SCc2cncs2 62a_100015185245_100009817591 [0,1,0,0,1,0|2,0,0]=4 1717 B15R2.1117 Brc1cc(ccn1)CSc2ccco2 62a_100009814098_100010243470 [0,1,0,0,1,0|2,0,0]=4 1718 B15R2.1117 Brc1cc(ccn1)CSc2ccco2 62a_100010254460_100009814098 [0,1,0,0,1,0|2,0,0]=4 1719 B15R2.1117 Brc1cc(ccn1)CSc2cccs2 62a_100010254460_100011215356 [0,1,0,0,1,0|2,0,0]=4 1720 B15R2.1117 Brc1cc(ccn1)CSc2cccs2 62a_100011215356_100010243470 [0,1,0,0,1,0|2,0,0]=4 1721 B15R2.1117 Brc1cc(ccn1)CSc2ccoc2 62a_100010254460_100011215275 [0,1,0,0,1,0|2,0,0]=4 1722 B15R2.1117 Brc1cc(ccn1)CSc2ccoc2 62a_100011215275_100010243470 [0,1,0,0,1,0|2,0,0]=4 1723 B15R2.1117 Brc1cc(ccn1)CSc2ccsc2 62a_100000738268_100010243470 [0,1,0,0,1,0|2,0,0]=4 1724 B15R2.1117 Brc1cc(ccn1)CSc2ccsc2 62a_100010254460_100000738268 [0,1,0,0,1,0|2,0,0]=4 1725 B15R2.1117 Brc1cc(ccn1)CSc2cn[nH]c2 62a_100000238712_100010243470 [0,1,0,0,1,0|2,0,0]=4 1726 B15R2.1117 Brc1cc(ccn1)CSc2cn[nH]c2 62a_100010254460_100000238712 [0,1,0,0,1,0|2,0,0]=4 1727 B15R2.1117 Brc1cc(ccn1)CSc2cnco2 62a_100010254460_100020591547 [0,1,0,0,1,0|2,0,0]=4 1728 B15R2.1117 Brc1cc(ccn1)CSc2cnco2 62a_100020591547_100010243470 [0,1,0,0,1,0|2,0,0]=4 1729 B15R2.1117 Brc1cc(ccn1)CSc2cncs2 62a_100010254460_100011934649 [0,1,0,0,1,0|2,0,0]=4 1730 B15R2.1117 Brc1cc(ccn1)CSc2cncs2 62a_100011934649_100010243470 [0,1,0,0,1,0|2,0,0]=4 1731 B15R2.1117 Brc1cc(ccn1)CSc2cnoc2 62a_100009815712_100010243470 [0,1,0,0,1,0|2,0,0]=4 1732 B15R2.1117 Brc1cc(ccn1)CSc2cnoc2 62a_100010254460_100009815712 [0,1,0,0,1,0|2,0,0]=4 1733 B15R2.1117 Brc1cc(ccn1)CSc2cnsc2 62a_100009815736_100010243470 [0,1,0,0,1,0|2,0,0]=4 1734 B15R2.1117 Brc1cc(ccn1)CSc2cnsc2 62a_100010254460_100009815736 [0,1,0,0,1,0|2,0,0]=4 1735 B15R2.1117 Brc1cc(ccn1)SCc2ccn[nH]2 62a_100000728653_100009814637 [0,1,0,0,1,0|2,0,0]=4 1736 B15R2.1117 Brc1cc(ccn1)SCc2ccn[nH]2 62a_100009814637_100000728653 [0,1,0,0,1,0|2,0,0]=4 1737 B15R2.1117 Brc1cc(ccn1)SCc2ccsc2 62a_100009814637_100011233845 [0,1,0,0,1,0|2,0,0]=4 1738 B15R2.1117 Brc1cc(ccn1)SCc2ccsc2 62a_100011261437_100009814637 [0,1,0,0,1,0|2,0,0]=4 1739 B15R2.1117 Brc1cc(ccn1)SCc2cncs2 62a_100009814637_100015185245 [0,1,0,0,1,0|2,0,0]=4 1740 B15R2.1117 Brc1cc(ccn1)SCc2cncs2 62a_100015185245_100009814637 [0,1,0,0,1,0|2,0,0]=4 1741 B15R2.1117 Cc1cc(ccn1)CSc2ccco2 62a_100009814098_200020672517 [0,1,0,0,1,0|2,0,0]=4 1742 B15R2.1117 Cc1cc(ccn1)CSc2ccco2 62a_200020672517_100009814098 [0,1,0,0,1,0|2,0,0]=4 1743 B15R2.1117 Cc1cc(ccn1)CSc2cccs2 62a_100011215356_200020672517 [0,1,0,0,1,0|2,0,0]=4 1744 B15R2.1117 Cc1cc(ccn1)CSc2cccs2 62a_200020672517_100011215356 [0,1,0,0,1,0|2,0,0]=4 1745 B15R2.1117 Cc1cc(ccn1)CSc2ccoc2 62a_100011215275_200020672517 [0,1,0,0,1,0|2,0,0]=4 1746 B15R2.1117 Cc1cc(ccn1)CSc2ccoc2 62a_200020672517_100011215275 [0,1,0,0,1,0|2,0,0]=4 1747 B15R2.1117 Cc1cc(ccn1)CSc2ccsc2 62a_100000738268_200020672517 [0,1,0,0,1,0|2,0,0]=4 1748 B15R2.1117 Cc1cc(ccn1)CSc2ccsc2 62a_200020672517_100000738268 [0,1,0,0,1,0|2,0,0]=4 1749 B15R2.1117 Cc1cc(ccn1)CSc2cn[nH]c2 62a_100000238712_200020672517 [0,1,0,0,1,0|2,0,0]=4 1750 B15R2.1117 Cc1cc(ccn1)CSc2cn[nH]c2 62a_200020672517_100000238712 [0,1,0,0,1,0|2,0,0]=4 1751 B15R2.1117 Cc1cc(ccn1)CSc2cnco2 62a_100020591547_200020672517 [0,1,0,0,1,0|2,0,0]=4 1752 B15R2.1117 Cc1cc(ccn1)CSc2cnco2 62a_200020672517_100020591547 [0,1,0,0,1,0|2,0,0]=4 1753 B15R2.1117 Cc1cc(ccn1)CSc2cncs2 62a_100011934649_200020672517 [0,1,0,0,1,0|2,0,0]=4 1754 B15R2.1117 Cc1cc(ccn1)CSc2cncs2 62a_200020672517_100011934649 [0,1,0,0,1,0|2,0,0]=4 1755 B15R2.1117 Cc1cc(ccn1)CSc2cnoc2 62a_100009815712_200020672517 [0,1,0,0,1,0|2,0,0]=4 1756 B15R2.1117 Cc1cc(ccn1)CSc2cnoc2 62a_200020672517_100009815712 [0,1,0,0,1,0|2,0,0]=4 1757 B15R2.1117 Cc1cc(ccn1)CSc2cnsc2 62a_100009815736_200020672517 [0,1,0,0,1,0|2,0,0]=4 1758 B15R2.1117 Cc1cc(ccn1)CSc2cnsc2 62a_200020672517_100009815736 [0,1,0,0,1,0|2,0,0]=4 1759 B15R2.1117 Cc1cc(ccn1)SCc2ccn[nH]2 62a_100000728653_100000758586 [0,1,0,0,1,0|2,0,0]=4 1760 B15R2.1117 Cc1cc(ccn1)SCc2ccn[nH]2 62a_100000758586_100000728653 [0,1,0,0,1,0|2,0,0]=4 1761 B15R2.1117 Cc1cc(ccn1)SCc2ccsc2 62a_100000758586_100011233845 [0,1,0,0,1,0|2,0,0]=4 1762 B15R2.1117 Cc1cc(ccn1)SCc2ccsc2 62a_100011261437_100000758586 [0,1,0,0,1,0|2,0,0]=4 1763 B15R2.1117 Cc1cc(ccn1)SCc2cncs2 62a_100000758586_100015185245 [0,1,0,0,1,0|2,0,0]=4 1764 B15R2.1117 Cc1cc(ccn1)SCc2cncs2 62a_100015185245_100000758586 [0,1,0,0,1,0|2,0,0]=4 1765 B15R2.1117 Clc1cc(ccn1)CSc2ccco2 62a_100000764220_100009814098 [0,1,0,0,1,0|2,0,0]=4 1766 B15R2.1117 Clc1cc(ccn1)CSc2ccco2 62a_100009814098_100000764220 [0,1,0,0,1,0|2,0,0]=4 1767 B15R2.1117 Clc1cc(ccn1)CSc2cccs2 62a_100000764220_100011215356 [0,1,0,0,1,0|2,0,0]=4 1768 B15R2.1117 Clc1cc(ccn1)CSc2cccs2 62a_100011215356_100000764220 [0,1,0,0,1,0|2,0,0]=4 1769 B15R2.1117 Clc1cc(ccn1)CSc2ccoc2 62a_100000764220_100011215275 [0,1,0,0,1,0|2,0,0]=4 1770 B15R2.1117 Clc1cc(ccn1)CSc2ccoc2 62a_100011215275_100000764220 [0,1,0,0,1,0|2,0,0]=4 1771 B15R2.1117 Clc1cc(ccn1)CSc2ccsc2 62a_100000738268_100000764220 [0,1,0,0,1,0|2,0,0]=4 1772 B15R2.1117 Clc1cc(ccn1)CSc2ccsc2 62a_100000764220_100000738268 [0,1,0,0,1,0|2,0,0]=4 1773 B15R2.1117 Clc1cc(ccn1)CSc2cn[nH]c2 62a_100000238712_100000764220 [0,1,0,0,1,0|2,0,0]=4 1774 B15R2.1117 Clc1cc(ccn1)CSc2cn[nH]c2 62a_100000764220_100000238712 [0,1,0,0,1,0|2,0,0]=4 1775 B15R2.1117 Clc1cc(ccn1)CSc2cnco2 62a_100000764220_100020591547 [0,1,0,0,1,0|2,0,0]=4 1776 B15R2.1117 Clc1cc(ccn1)CSc2cnco2 62a_100020591547_100000764220 [0,1,0,0,1,0|2,0,0]=4 1777 B15R2.1117 Clc1cc(ccn1)CSc2cncs2 62a_100000764220_100011934649 [0,1,0,0,1,0|2,0,0]=4 1778 B15R2.1117 Clc1cc(ccn1)CSc2cncs2 62a_100011934649_100000764220 [0,1,0,0,1,0|2,0,0]=4 1779 B15R2.1117 Clc1cc(ccn1)CSc2cnoc2 62a_100000764220_100009815712 [0,1,0,0,1,0|2,0,0]=4 1780 B15R2.1117 Clc1cc(ccn1)CSc2cnoc2 62a_100009815712_100000764220 [0,1,0,0,1,0|2,0,0]=4 1781 B15R2.1117 Clc1cc(ccn1)CSc2cnsc2 62a_100000764220_100009815736 [0,1,0,0,1,0|2,0,0]=4 1782 B15R2.1117 Clc1cc(ccn1)CSc2cnsc2 62a_100009815736_100000764220 [0,1,0,0,1,0|2,0,0]=4 1783 B15R2.1117 Clc1cc(ccn1)SCc2ccn[nH]2 62a_100000035001_100000728653 [0,1,0,0,1,0|2,0,0]=4 1784 B15R2.1117 Clc1cc(ccn1)SCc2ccn[nH]2 62a_100000728653_100000035001 [0,1,0,0,1,0|2,0,0]=4 1785 B15R2.1117 Clc1cc(ccn1)SCc2ccsc2 62a_100000035001_100011233845 [0,1,0,0,1,0|2,0,0]=4 1786 B15R2.1117 Clc1cc(ccn1)SCc2ccsc2 62a_100011261437_100000035001 [0,1,0,0,1,0|2,0,0]=4 1787 B15R2.1117 Clc1cc(ccn1)SCc2cncs2 62a_100000035001_100015185245 [0,1,0,0,1,0|2,0,0]=4 1788 B15R2.1117 Clc1cc(ccn1)SCc2cncs2 62a_100015185245_100000035001 [0,1,0,0,1,0|2,0,0]=4 1789 B15R2.1117 Fc1cc(ccn1)SCc2ccn[nH]2 62a_100000728653_100009816116 [0,1,0,0,1,0|2,0,0]=4 1790 B15R2.1117 Fc1cc(ccn1)SCc2ccn[nH]2 62a_100009816116_100000728653 [0,1,0,0,1,0|2,0,0]=4 1791 B15R2.1117 Fc1cc(ccn1)SCc2ccsc2 62a_100009816116_100011233845 [0,1,0,0,1,0|2,0,0]=4 1792 B15R2.1117 Fc1cc(ccn1)SCc2ccsc2 62a_100011261437_100009816116 [0,1,0,0,1,0|2,0,0]=4 1793 B15R2.1117 Fc1cc(ccn1)SCc2cncs2 62a_100009816116_100015185245 [0,1,0,0,1,0|2,0,0]=4 1794 B15R2.1117 Fc1cc(ccn1)SCc2cncs2 62a_100015185245_100009816116 [0,1,0,0,1,0|2,0,0]=4 1795 B15R2.1117 Nc1cc(ccn1)SCc2ccn[nH]2 62a_100000049665_100000728653 [0,1,0,0,1,0|2,0,0]=4 1796 B15R2.1117 Nc1cc(ccn1)SCc2ccn[nH]2 62a_100000728653_100000049665 [0,1,0,0,1,0|2,0,0]=4 1797 B15R2.1117 Nc1cc(ccn1)SCc2ccsc2 62a_100000049665_100011233845 [0,1,0,0,1,0|2,0,0]=4 1798 B15R2.1117 Nc1cc(ccn1)SCc2ccsc2 62a_100011261437_100000049665 [0,1,0,0,1,0|2,0,0]=4 1799 B15R2.1117 Nc1cc(ccn1)SCc2cncs2 62a_100000049665_100015185245 [0,1,0,0,1,0|2,0,0]=4 1800 B15R2.1117 Nc1cc(ccn1)SCc2cncs2 62a_100015185245_100000049665 [0,1,0,0,1,0|2,0,0]=4 1801 B17R2.143 CC(Cc1ccccc1)Sc2ccncc2 62a_100000728582_200011218536 [0,1,0,0,0,1|2,0,0]=4 1802 B17R2.143 CC(Cc1ccccc1)Sc2ccncc2 62a_200011218536_100000728582 [0,1,0,0,0,1|2,0,0]=4 1803 B17R2.143 CN(Cc1ccncc1)Cc2ccncc2 2230a_100000187231_100015193705 [0,1,0,0,0,1|2,0,0]=4 1804 B17R2.143 CN(Cc1ccncc1)Cc2ccncc2 269982a_100000187231_100015193705 [0,1,0,0,0,1|2,0,0]=4 1805 B17R2.143 CN(Cc1ccncc1)Cc2ccncc2 269982a_200000200768_200000210301 [0,1,0,0,0,1|2,0,0]=4 1806 B17R2.143 [13CH3]N(Cc1ccncc1)Cc2ccncc2 269982a_200000200768_200025704644 [0,1,0,0,0,1|2,0,0]=4 1807 B17R2.216 Brc1ccc(cc1)CCSc2ccncc2 62a_100000728582_100011740612 [0,1,0,0,0,1|2,0,0]=4 1808 B17R2.216 Brc1ccc(cc1)CCSc2ccncc2 62a_100011740612_100000728582 [0,1,0,0,0,1|2,0,0]=4 1809 B17R2.216 Brc1ccc(cc1)CSCc2ccncc2 62a_100000189115_100015193705 [0,1,0,0,0,1|2,0,0]=4 1810 B17R2.216 Brc1ccc(cc1)CSCc2ccncc2 62a_100015193705_100000189115 [0,1,0,0,0,1|2,0,0]=4 1811 B17R2.216 Brc1ccc(cc1)SCCc2ccncc2 62a_100000723409_100000752885 [0,1,0,0,0,1|2,0,0]=4 1812 B17R2.216 Brc1ccc(cc1)SCCc2ccncc2 62a_100000752885_100000723409 [0,1,0,0,0,1|2,0,0]=4 1813 B17R2.216 Cc1ccc(cc1)CCSc2ccncc2 62a_100000728582_100011713686 [0,1,0,0,0,1|2,0,0]=4 1814 B17R2.216 Cc1ccc(cc1)CCSc2ccncc2 62a_100011713686_100000728582 [0,1,0,0,0,1|2,0,0]=4 1815 B17R2.216 Cc1ccc(cc1)CSCc2ccncc2 62a_100000210814_100015193705 [0,1,0,0,0,1|2,0,0]=4 1816 B17R2.216 Cc1ccc(cc1)CSCc2ccncc2 62a_100015193705_100000210814 [0,1,0,0,0,1|2,0,0]=4 1817 B17R2.216 Cc1ccc(cc1)SCCc2ccncc2 62a_100000186775_100000723409 [0,1,0,0,0,1|2,0,0]=4 1818 B17R2.216 Cc1ccc(cc1)SCCc2ccncc2 62a_100000723409_100000186775 [0,1,0,0,0,1|2,0,0]=4 1819 B17R2.216 Cc1ccc(cc1)SCSc2ccccc2 62a_100000186775_100011218342 [0,1,0,0,0,1|2,0,0]=4 1820 B17R2.216 Cc1ccc(cc1)SCSc2ccccc2 62a_100011218342_100000186775 [0,1,0,0,0,1|2,0,0]=4 1821 B17R2.216 Clc1ccc(cc1)CCSc2ccncc2 62a_100000728582_100011713675 [0,1,0,0,0,1|2,0,0]=4 1822 B17R2.216 Clc1ccc(cc1)CCSc2ccncc2 62a_100011713675_100000728582 [0,1,0,0,0,1|2,0,0]=4 1823 B17R2.216 Clc1ccc(cc1)CSCc2ccncc2 62a_100000187161_100015193705 [0,1,0,0,0,1|2,0,0]=4 1824 B17R2.216 Clc1ccc(cc1)CSCc2ccncc2 62a_100015193705_100000187161 [0,1,0,0,0,1|2,0,0]=4 1825 B17R2.216 Clc1ccc(cc1)SCCc2ccncc2 62a_100000723409_100000755918 [0,1,0,0,0,1|2,0,0]=4 1826 B17R2.216 Clc1ccc(cc1)SCCc2ccncc2 62a_100000755918_100000723409 [0,1,0,0,0,1|2,0,0]=4 1827 B17R2.216 Fc1ccc(cc1)CCSc2ccncc2 62a_100000728582_100011217392 [0,1,0,0,0,1|2,0,0]=4 1828 B17R2.216 Fc1ccc(cc1)CCSc2ccncc2 62a_100011217392_100000728582 [0,1,0,0,0,1|2,0,0]=4 1829 B17R2.216 Fc1ccc(cc1)CSCc2ccncc2 62a_100000198546_100015193705 [0,1,0,0,0,1|2,0,0]=4 1830 B17R2.216 Fc1ccc(cc1)CSCc2ccncc2 62a_100015193705_100000187164 [0,1,0,0,0,1|2,0,0]=4 1831 B17R2.216 Fc1ccc(cc1)SCCc2ccncc2 62a_100000211213_100000723409 [0,1,0,0,0,1|2,0,0]=4 1832 B17R2.216 Fc1ccc(cc1)SCCc2ccncc2 62a_100000723409_100000211213 [0,1,0,0,0,1|2,0,0]=4 1833 B17R2.216 Fc1ccc(cc1)SCSc2ccccc2 62a_100000211213_100011218342 [0,1,0,0,0,1|2,0,0]=4 1834 B17R2.216 Fc1ccc(cc1)SCSc2ccccc2 62a_100011218342_100000211213 [0,1,0,0,0,1|2,0,0]=4 1835 B17R2.216 Ic1ccc(cc1)CSCc2ccncc2 62a_100000189116_100015193705 [0,1,0,0,0,1|2,0,0]=4 1836 B17R2.216 Ic1ccc(cc1)CSCc2ccncc2 62a_100015193705_100000189116 [0,1,0,0,0,1|2,0,0]=4 1837 B17R2.216 Nc1ccc(cc1)SCCc2ccncc2 62a_100000185761_100000723409 [0,1,0,0,0,1|2,0,0]=4 1838 B17R2.216 Nc1ccc(cc1)SCCc2ccncc2 62a_100000723409_100000185761 [0,1,0,0,0,1|2,0,0]=4 1839 B17R2.216 Nc1ccc(cc1)SCSc2ccccc2 62a_100000185761_100011218342 [0,1,0,0,0,1|2,0,0]=4 1840 B17R2.216 Nc1ccc(cc1)SCSc2ccccc2 62a_100011218342_100000185761 [0,1,0,0,0,1|2,0,0]=4 1841 B17R2.216 Oc1ccc(cc1)CCSc2ccncc2 62a_100000728582_100009816426 [0,1,0,0,0,1|2,0,0]=4 1842 B17R2.216 Oc1ccc(cc1)CCSc2ccncc2 62a_100009816426_100000728582 [0,1,0,0,0,1|2,0,0]=4 1843 B17R2.216 Oc1ccc(cc1)SCCc2ccncc2 62a_100000723409_100000185759 [0,1,0,0,0,1|2,0,0]=4 1844 B17R2.216 Oc1ccc(cc1)SCSc2ccccc2 62a_100011218342_100000185759 [0,1,0,0,0,1|2,0,0]=4 1845 B17R2.216 [O-][n+]1ccc(cc1)SCCc2ccncc2 62a_100000723409_100000039755 [0,1,0,0,0,1|1,0,1]=4 1846 B17R2.216 [O-][n+]1ccc(cc1)SCSc2ccccc2 62a_100011218342_100000039755 [0,1,0,0,0,1|1,0,1]=4 1847 B17R2.2342 CC(=NNc1ccncc1)c2ccncc2 4a_100000698918_100000185792 [0,1,0,0,0,1|2,0,0]=4 1848 B17R2.2342 CC(CSc1ccncc1)c2ccccc2 62a_100000728582_100000756946 [0,1,0,0,0,1|2,0,0]=4 1849 B17R2.2342 CC(CSc1ccncc1)c2ccccc2 62a_100000756946_100000728582 [0,1,0,0,0,1|2,0,0]=4 1850 B17R2.2342 CC(NCc1ccncc1)c2ccncc2 207a_100000181269_100000186114 [0,1,0,0,0,1|2,0,0]=4 1851 B17R2.2342 CC(NCc1ccncc1)c2ccncc2 2230a_100000181269_100015193705 [0,1,0,0,0,1|2,0,0]=4 1852 B17R2.2342 CC(NCc1ccncc1)c2ccncc2 269862a_100000210450_100000185792 [0,1,0,0,0,1|2,0,0]=4 1853 B17R2.2342 CC(SCc1ccncc1)c2ccccc2 62a_100000230085_100015193705 [0,1,0,0,0,1|2,0,0]=4 1854 B17R2.2342 CC(SCc1ccncc1)c2ccccc2 62a_100015193705_100000230085 [0,1,0,0,0,1|2,0,0]=4 1855 B17R2.2342 O=C(CSc1ccccc1)c2ccncc2 62a_100000027454_100000041952 [0,1,0,0,0,1|2,0,0]=4 1856 B17R2.2342 O=C(CSc1ccccc1)c2ccncc2 62a_100000719477_100000027454 [0,1,0,0,0,1|2,0,0]=4 1857 B17R2.2342 O=C(CSc1ccncc1)c2ccccc2 62a_100000211460_100000728582 [0,1,0,0,0,1|2,0,0]=4 1858 B17R2.2342 O=C(CSc1ccncc1)c2ccccc2 62a_100000728582_100000211460 [0,1,0,0,0,1|2,0,0]=4 1859 B17R2.2342 O=C(CSc1ccncc1)c2ccncc2 62a_100000027454_100000728582 [0,1,0,0,0,1|1,0,0]=3 1860 B17R2.2342 O=C(CSc1ccncc1)c2ccncc2 62a_100000728582_100000027454 [0,1,0,0,0,1|1,0,0]=3 1861 B17R2.2342 O=C(CSc1ccncn1)c2ccncc2 62a_100000027454_100000703185 [0,1,0,0,0,1|2,0,0]=4 1862 B17R2.2342 O=C(CSc1ccncn1)c2ccncc2 62a_100000703185_100000027454 [0,1,0,0,0,1|2,0,0]=4 1863 B17R2.2342 O=C(CSc1ccnnc1)c2ccncc2 62a_100000027454_100000732662 [0,1,0,0,0,1|2,0,0]=4 1864 B17R2.2342 O=C(CSc1ccnnc1)c2ccncc2 62a_100000732662_100000027454 [0,1,0,0,0,1|2,0,0]=4 1865 B17R2.2342 O=S(CSc1ccncc1)c2ccccc2 62a_100000728582_100000031784 [0,1,0,0,0,1|1,0,1]=4 1866 B17R2.2342 OC(CSc1ccncc1)c2ccccc2 62a_100000185958_100000728582 [0,1,0,0,0,1|2,0,0]=4 1867 B17R2.2342 OC(CSc1ccncc1)c2ccccc2 62a_100000728582_100000185958 [0,1,0,0,0,1|2,0,0]=4 1868 B17R2.2342 O[C@H](CSc1ccncc1)c2ccccc2 62a_100000728582_100011933945 [0,1,0,0,0,1|2,0,0]=4 1869 B17R2.2342 O[C@H](CSc1ccncc1)c2ccccc2 62a_100011933945_100000728582 [0,1,0,0,0,1|2,0,0]=4 1870 B17R2.3956 Brc1ccccc1CCSc2ccncc2 62a_100000728582_100012161201 [0,1,0,0,0,1|2,0,0]=4 1871 B17R2.3956 Brc1ccccc1CCSc2ccncc2 62a_100012161201_100000728582 [0,1,0,0,0,1|2,0,0]=4 1872 B17R2.3956 Brc1ccccc1CSCc2ccncc2 62a_100000184730_100015193705 [0,1,0,0,0,1|2,0,0]=4 1873 B17R2.3956 Brc1ccccc1CSCc2ccncc2 62a_100015193705_100000184730 [0,1,0,0,0,1|2,0,0]=4 1874 B17R2.3956 Brc1ccccc1SCCc2ccncc2 62a_100000695589_100000723409 [0,1,0,0,0,1|2,0,0]=4 1875 B17R2.3956 Brc1ccccc1SCCc2ccncc2 62a_100000723409_100000695589 [0,1,0,0,0,1|2,0,0]=4 1876 B17R2.3956 Brc1cnccc1C=NNc2ccncc2 4a_100000698918_100000755692 [0,1,0,0,0,1|2,0,0]=4 1877 B17R2.3956 Brc1cnccc1CNCc2ccncc2 207a_100020640021_100000186114 [0,1,0,0,0,1|2,0,0]=4 1878 B17R2.3956 Brc1cnccc1NCCc2ccncc2 27a_100000742849_100000726257 [0,1,0,0,0,1|2,0,0]=4 1879 B17R2.3956 Brc1cnccc1NN=Cc2ccncc2 4a_100013404636_100000186114 [0,1,0,0,0,1|2,0,0]=4 1880 B17R2.3956 Brc1cnccc1SCCc2ccccc2 62a_100000726257_100011218657 [0,1,0,0,0,1|2,0,0]=4 1881 B17R2.3956 Brc1cnccc1SCCc2ccccc2 62a_100000765856_100000726257 [0,1,0,0,0,1|2,0,0]=4 1882 B17R2.3956 Brc1cnccc1SCCc2ccncc2 62a_100000723409_100000726257 [0,1,0,0,0,1|1,0,0]=3 1883 B17R2.3956 Brc1cnccc1SCCc2ccncc2 62a_100000726257_100000723409 [0,1,0,0,0,1|1,0,0]=3 1884 B17R2.3956 Brc1cnccc1SCSc2ccccc2 62a_100000726257_100011218342 [0,1,0,0,0,1|1,0,0]=3 1885 B17R2.3956 Brc1cnccc1SCSc2ccccc2 62a_100011218342_100000726257 [0,1,0,0,0,1|1,0,0]=3 1886 B17R2.3956 Cc1ccccc1CCSc2ccncc2 62a_100000728582_100011713688 [0,1,0,0,0,1|2,0,0]=4 1887 B17R2.3956 Cc1ccccc1CCSc2ccncc2 62a_100011713688_100000728582 [0,1,0,0,0,1|2,0,0]=4 1888 B17R2.3956 Cc1ccccc1CSCc2ccncc2 62a_100000211839_100015193705 [0,1,0,0,0,1|2,0,0]=4 1889 B17R2.3956 Cc1ccccc1CSCc2ccncc2 62a_100015193705_100000211839 [0,1,0,0,0,1|2,0,0]=4 1890 B17R2.3956 Cc1ccccc1SCCc2ccncc2 62a_100000210755_100000723409 [0,1,0,0,0,1|2,0,0]=4 1891 B17R2.3956 Cc1ccccc1SCCc2ccncc2 62a_100000723409_100000210755 [0,1,0,0,0,1|2,0,0]=4 1892 B17R2.3956 Cc1ccccc1SCSc2ccccc2 62a_100000210755_100011218342 [0,1,0,0,0,1|2,0,0]=4 1893 B17R2.3956 Cc1ccccc1SCSc2ccccc2 62a_100011218342_100000210755 [0,1,0,0,0,1|2,0,0]=4 1894 B17R2.3956 Cc1cnccc1CNCc2ccncc2 207a_100000708811_100000186114 [0,1,0,0,0,1|2,0,0]=4 1895 B17R2.3956 Cc1cnccc1CSCc2ccccc2 62a_100000211182_100020672808 [0,1,0,0,0,1|2,0,0]=4 1896 B17R2.3956 Cc1cnccc1CSCc2ccccc2 62a_100020672808_100015291786 [0,1,0,0,0,1|2,0,0]=4 1897 B17R2.3956 Cc1cnccc1CSCc2ccncc2 62a_100015193705_100020672808 [0,1,0,0,0,1|1,0,0]=3 1898 B17R2.3956 Cc1cnccc1CSCc2ccncc2 62a_100020672808_100015193705 [0,1,0,0,0,1|1,0,0]=3 1899 B17R2.3956 Cc1cnccc1NCCc2ccncc2 27a_100000742849_100000765111 [0,1,0,0,0,1|2,0,0]=4 1900 B17R2.3956 Cc1cnccc1NN=Cc2ccncc2 4a_100011935204_100000186114 [0,1,0,0,0,1|2,0,0]=4 1901 B17R2.3956 Cc1cnccc1SCCc2ccccc2 62a_100000765111_100011218657 [0,1,0,0,0,1|2,0,0]=4 1902 B17R2.3956 Cc1cnccc1SCCc2ccccc2 62a_100000765856_100000765111 [0,1,0,0,0,1|2,0,0]=4 1903 B17R2.3956 Cc1cnccc1SCCc2ccncc2 62a_100000723409_100000765111 [0,1,0,0,0,1|1,0,0]=3 1904 B17R2.3956 Cc1cnccc1SCCc2ccncc2 62a_100000765111_100000723409 [0,1,0,0,0,1|1,0,0]=3 1905 B17R2.3956 Cc1cnccc1SCSc2ccccc2 62a_100000765111_100011218342 [0,1,0,0,0,1|1,0,0]=3 1906 B17R2.3956 Cc1cnccc1SCSc2ccccc2 62a_100011218342_100000765111 [0,1,0,0,0,1|1,0,0]=3 1907 B17R2.3956 Cc1cncnc1SCCc2ccncc2 62a_100000723409_100011998708 [0,1,0,0,0,1|2,0,0]=4 1908 B17R2.3956 Cc1cncnc1SCCc2ccncc2 62a_100011998708_100000723409 [0,1,0,0,0,1|2,0,0]=4 1909 B17R2.3956 Cc1cncnc1SCSc2ccccc2 62a_100011218342_100011998708 [0,1,0,0,0,1|2,0,0]=4 1910 B17R2.3956 Cc1cncnc1SCSc2ccccc2 62a_100011998708_100011218342 [0,1,0,0,0,1|2,0,0]=4 1911 B17R2.3956 Clc1ccccc1CCSc2ccncc2 62a_100000728582_100011713703 [0,1,0,0,0,1|2,0,0]=4 1912 B17R2.3956 Clc1ccccc1CCSc2ccncc2 62a_100011713703_100000728582 [0,1,0,0,0,1|2,0,0]=4 1913 B17R2.3956 Clc1ccccc1CSCc2ccncc2 62a_100000187162_100015193705 [0,1,0,0,0,1|2,0,0]=4 1914 B17R2.3956 Clc1ccccc1CSCc2ccncc2 62a_100015193705_100000187162 [0,1,0,0,0,1|2,0,0]=4 1915 B17R2.3956 Clc1ccccc1SCCc2ccncc2 62a_100000723409_100000764095 [0,1,0,0,0,1|2,0,0]=4 1916 B17R2.3956 Clc1ccccc1SCCc2ccncc2 62a_100000764095_100000723409 [0,1,0,0,0,1|2,0,0]=4 1917 B17R2.3956 Clc1cnccc1C=NNc2ccncc2 4a_100000698918_100011934409 [0,1,0,0,0,1|2,0,0]=4 1918 B17R2.3956 Clc1cnccc1CSCc2ccccc2 62a_100000211182_100000763264 [0,1,0,0,0,1|2,0,0]=4 1919 B17R2.3956 Clc1cnccc1CSCc2ccccc2 62a_100000763264_100015291786 [0,1,0,0,0,1|2,0,0]=4 1920 B17R2.3956 Clc1cnccc1CSCc2ccncc2 62a_100000763264_100015193705 [0,1,0,0,0,1|1,0,0]=3 1921 B17R2.3956 Clc1cnccc1CSCc2ccncc2 62a_100015193705_100000763264 [0,1,0,0,0,1|1,0,0]=3 1922 B17R2.3956 Clc1cnccc1SCCc2ccccc2 62a_100000708259_100011218657 [0,1,0,0,0,1|2,0,0]=4 1923 B17R2.3956 Clc1cnccc1SCCc2ccccc2 62a_100000765856_100000708259 [0,1,0,0,0,1|2,0,0]=4 1924 B17R2.3956 Clc1cnccc1SCCc2ccncc2 62a_100000708259_100000723409 [0,1,0,0,0,1|1,0,0]=3 1925 B17R2.3956 Clc1cnccc1SCCc2ccncc2 62a_100000723409_100000708259 [0,1,0,0,0,1|1,0,0]=3 1926 B17R2.3956 Clc1cnccc1SCSc2ccccc2 62a_100000708259_100011218342 [0,1,0,0,0,1|1,0,0]=3 1927 B17R2.3956 Clc1cnccc1SCSc2ccccc2 62a_100011218342_100000708259 [0,1,0,0,0,1|1,0,0]=3 1928 B17R2.3956 Fc1ccccc1CCSc2ccncc2 62a_100000728582_100011713696 [0,1,0,0,0,1|2,0,0]=4 1929 B17R2.3956 Fc1ccccc1CCSc2ccncc2 62a_100011713696_100000728582 [0,1,0,0,0,1|2,0,0]=4 1930 B17R2.3956 Fc1ccccc1CSCc2ccncc2 62a_100000211605_100015193705 [0,1,0,0,0,1|2,0,0]=4 1931 B17R2.3956 Fc1ccccc1CSCc2ccncc2 62a_100015193705_100000211605 [0,1,0,0,0,1|2,0,0]=4 1932 B17R2.3956 Fc1ccccc1SCCc2ccncc2 62a_100000723409_100011215700 [0,1,0,0,0,1|2,0,0]=4 1933 B17R2.3956 Fc1ccccc1SCCc2ccncc2 62a_100011215700_100000723409 [0,1,0,0,0,1|2,0,0]=4 1934 B17R2.3956 Fc1ccccc1SCSc2ccccc2 62a_100011215700_100011218342 [0,1,0,0,0,1|2,0,0]=4 1935 B17R2.3956 Fc1ccccc1SCSc2ccccc2 62a_100011218342_100011215700 [0,1,0,0,0,1|2,0,0]=4 1936 B17R2.3956 Fc1cnccc1C=NNc2ccncc2 4a_100000698918_100011934595 [0,1,0,0,0,1|2,0,0]=4 1937 B17R2.3956 Fc1cnccc1CNCc2ccncc2 207a_100011935246_100000186114 [0,1,0,0,0,1|2,0,0]=4 1938 B17R2.3956 Fc1cnccc1NCCc2ccncc2 27a_100000742849_100000035921 [0,1,0,0,0,1|2,0,0]=4 1939 B17R2.3956 Fc1cnccc1SCCc2ccccc2 62a_100000047030_100011218657 [0,1,0,0,0,1|2,0,0]=4 1940 B17R2.3956 Fc1cnccc1SCCc2ccccc2 62a_100000765856_100000047030 [0,1,0,0,0,1|2,0,0]=4 1941 B17R2.3956 Fc1cnccc1SCCc2ccncc2 62a_100000047030_100000723409 [0,1,0,0,0,1|1,0,0]=3 1942 B17R2.3956 Fc1cnccc1SCCc2ccncc2 62a_100000723409_100000047030 [0,1,0,0,0,1|1,0,0]=3 1943 B17R2.3956 Fc1cnccc1SCSc2ccccc2 62a_100000047030_100011218342 [0,1,0,0,0,1|1,0,0]=3 1944 B17R2.3956 Fc1cnccc1SCSc2ccccc2 62a_100011218342_100000047030 [0,1,0,0,0,1|1,0,0]=3 1945 B17R2.3956 Fc1cncnc1SCCc2ccncc2 62a_100000069762_100000723409 [0,1,0,0,0,1|2,0,0]=4 1946 B17R2.3956 Fc1cncnc1SCCc2ccncc2 62a_100000723409_100000069762 [0,1,0,0,0,1|2,0,0]=4 1947 B17R2.3956 Fc1cncnc1SCSc2ccccc2 62a_100000069762_100011218342 [0,1,0,0,0,1|2,0,0]=4 1948 B17R2.3956 Fc1cncnc1SCSc2ccccc2 62a_100011218342_100000069762 [0,1,0,0,0,1|2,0,0]=4 1949 B17R2.3956 Ic1ccccc1CSCc2ccncc2 62a_100011216222_100015193705 [0,1,0,0,0,1|2,0,0]=4 1950 B17R2.3956 Ic1ccccc1CSCc2ccncc2 62a_100015193705_100011216222 [0,1,0,0,0,1|2,0,0]=4 1951 B17R2.3956 Nc1ccccc1SCCc2ccncc2 62a_100000210017_100000723409 [0,1,0,0,0,1|2,0,0]=4 1952 B17R2.3956 Nc1ccccc1SCCc2ccncc2 62a_100000723409_100000210017 [0,1,0,0,0,1|2,0,0]=4 1953 B17R2.3956 Nc1ccccc1SCSc2ccccc2 62a_100000210017_100011218342 [0,1,0,0,0,1|2,0,0]=4 1954 B17R2.3956 Nc1ccccc1SCSc2ccccc2 62a_100011218342_100000210017 [0,1,0,0,0,1|2,0,0]=4 1955 B17R2.3956 Nc1cnccc1SCCc2ccccc2 62a_100000756074_100011218657 [0,1,0,0,0,1|2,0,0]=4 1956 B17R2.3956 Nc1cnccc1SCCc2ccccc2 62a_100000765856_100000756074 [0,1,0,0,0,1|2,0,0]=4 1957 B17R2.3956 Nc1cnccc1SCCc2ccncc2 62a_100000723409_100000756074 [0,1,0,0,0,1|1,0,0]=3 1958 B17R2.3956 Nc1cnccc1SCCc2ccncc2 62a_100000756074_100000723409 [0,1,0,0,0,1|1,0,0]=3 1959 B17R2.3956 Nc1cnccc1SCSc2ccccc2 62a_100000756074_100011218342 [0,1,0,0,0,1|1,0,0]=3 1960 B17R2.3956 Nc1cnccc1SCSc2ccccc2 62a_100011218342_100000756074 [0,1,0,0,0,1|1,0,0]=3 1961 B17R2.3956 Nc1cncnc1SCCc2ccncc2 62a_100000709731_100000723409 [0,1,0,0,0,1|2,0,0]=4 1962 B17R2.3956 Nc1cncnc1SCCc2ccncc2 62a_100000723409_100000709731 [0,1,0,0,0,1|2,0,0]=4 1963 B17R2.3956 Nc1cncnc1SCSc2ccccc2 62a_100000709731_100011218342 [0,1,0,0,0,1|2,0,0]=4 1964 B17R2.3956 Nc1cncnc1SCSc2ccccc2 62a_100011218342_100000709731 [0,1,0,0,0,1|2,0,0]=4 1965 B17R2.3956 Nc1cnncc1SCCc2ccncc2 62a_100000723409_100009829405 [0,1,0,0,0,1|2,0,0]=4 1966 B17R2.3956 Nc1cnncc1SCCc2ccncc2 62a_100009829405_100000723409 [0,1,0,0,0,1|2,0,0]=4 1967 B17R2.3956 Nc1cnncc1SCSc2ccccc2 62a_100009829405_100011218342 [0,1,0,0,0,1|2,0,0]=4 1968 B17R2.3956 Nc1cnncc1SCSc2ccccc2 62a_100011218342_100009829405 [0,1,0,0,0,1|2,0,0]=4 1969 B17R2.3956 O=c1[nH]nccc1SCCc2ccncc2 62a_100000723409_100000087129 [0,1,0,0,0,1|2,0,0]=4 1970 B17R2.3956 O=c1[nH]nccc1SCSc2ccccc2 62a_100011218342_100000087129 [0,1,0,0,0,1|2,0,0]=4 1971 B17R2.3956 Oc1ccccc1CCSc2ccncc2 62a_100000722297_100000728582 [0,1,0,0,0,1|2,0,0]=4 1972 B17R2.3956 Oc1ccccc1CCSc2ccncc2 62a_100000728582_100000722297 [0,1,0,0,0,1|2,0,0]=4 1973 B17R2.3956 Oc1ccccc1SCCc2ccncc2 62a_100000723409_100000739446 [0,1,0,0,0,1|2,0,0]=4 1974 B17R2.3956 Oc1ccccc1SCCc2ccncc2 62a_100000739446_100000723409 [0,1,0,0,0,1|2,0,0]=4 1975 B17R2.3956 Oc1ccccc1SCSc2ccccc2 62a_100000739446_100011218342 [0,1,0,0,0,1|2,0,0]=4 1976 B17R2.3956 Oc1ccccc1SCSc2ccccc2 62a_100011218342_100000739446 [0,1,0,0,0,1|2,0,0]=4 1977 B17R2.3956 Oc1cnccc1C=NNc2ccncc2 4a_100000698918_100000077405 [0,1,0,0,0,1|2,0,0]=4 1978 B17R2.3956 Oc1cnccc1SCCc2ccccc2 62a_100000765856_100009817591 [0,1,0,0,0,1|2,0,0]=4 1979 B17R2.3956 Oc1cnccc1SCCc2ccccc2 62a_100009817591_100011218657 [0,1,0,0,0,1|2,0,0]=4 1980 B17R2.3956 Oc1cnccc1SCCc2ccncc2 62a_100000723409_100009817591 [0,1,0,0,0,1|1,0,0]=3 1981 B17R2.3956 Oc1cnccc1SCCc2ccncc2 62a_100009817591_100000723409 [0,1,0,0,0,1|1,0,0]=3 1982 B17R2.3956 Oc1cnccc1SCSc2ccccc2 62a_100009817591_100011218342 [0,1,0,0,0,1|1,0,0]=3 1983 B17R2.3956 Oc1cnccc1SCSc2ccccc2 62a_100011218342_100009817591 [0,1,0,0,0,1|1,0,0]=3 1984 B17R2.5301 Brc1cc(ccn1)C=NNc2ccncc2 4a_100000698918_100009814634 [0,1,0,0,0,1|2,0,0]=4 1985 B17R2.5301 Brc1cc(ccn1)CNCc2ccncc2 2230a_100025757509_100015193705 [0,1,0,0,0,1|2,0,0]=4 1986 B17R2.5301 Brc1cc(ccn1)COCc2ccncc2 7a_100009814636_100015193705 [0,1,0,0,0,1|1,1,0]=4 1987 B17R2.5301 Brc1cc(ccn1)CSCc2ccccc2 62a_100000211182_100010243470 [0,1,0,0,0,1|2,0,0]=4 1988 B17R2.5301 Brc1cc(ccn1)CSCc2ccccc2 62a_100010254460_100015291786 [0,1,0,0,0,1|2,0,0]=4 1989 B17R2.5301 Brc1cc(ccn1)CSCc2ccncc2 62a_100010254460_100015193705 [0,1,0,0,0,1|1,0,0]=3 1990 B17R2.5301 Brc1cc(ccn1)CSCc2ccncc2 62a_100015193705_100010243470 [0,1,0,0,0,1|1,0,0]=3 1991 B17R2.5301 Brc1cc(ccn1)SCCc2ccccc2 62a_100000765856_100009814637 [0,1,0,0,0,1|2,0,0]=4 1992 B17R2.5301 Brc1cc(ccn1)SCCc2ccccc2 62a_100009814637_100011218657 [0,1,0,0,0,1|2,0,0]=4 1993 B17R2.5301 Brc1cc(ccn1)SCCc2ccncc2 62a_100000723409_100009814637 [0,1,0,0,0,1|1,0,0]=3 1994 B17R2.5301 Brc1cc(ccn1)SCCc2ccncc2 62a_100009814637_100000723409 [0,1,0,0,0,1|1,0,0]=3 1995 B17R2.5301 Brc1cc(ccn1)SCSc2ccccc2 62a_100009814637_100011218342 [0,1,0,0,0,1|1,0,0]=3 1996 B17R2.5301 Brc1cc(ccn1)SCSc2ccccc2 62a_100011218342_100009814637 [0,1,0,0,0,1|1,0,0]=3 1997 B17R2.5301 Brc1cccc(c1)CCSc2ccncc2 62a_100000728582_100011740638 [0,1,0,0,0,1|2,0,0]=4 1998 B17R2.5301 Brc1cccc(c1)CCSc2ccncc2 62a_100011740638_100000728582 [0,1,0,0,0,1|2,0,0]=4 1999 B17R2.5301 Brc1cccc(c1)CSCc2ccncc2 62a_100000211773_100015193705 [0,1,0,0,0,1|2,0,0]=4 2000 B17R2.5301 Brc1cccc(c1)CSCc2ccncc2 62a_100015193705_100000211773 [0,1,0,0,0,1|2,0,0]=4 2001 B17R2.5301 Brc1cccc(c1)SCCc2ccncc2 62a_100000691529_100000723409 [0,1,0,0,0,1|2,0,0]=4 2002 B17R2.5301 Brc1cccc(c1)SCCc2ccncc2 62a_100000723409_100000691529 [0,1,0,0,0,1|2,0,0]=4 2003 B17R2.5301 Cc1cc(ccn1)C=NNc2ccncc2 4a_100000698918_100011361630 [0,1,0,0,0,1|2,0,0]=4 2004 B17R2.5301 Cc1cc(ccn1)CNCc2ccncc2 207a_100011934566_100000186114 [0,1,0,0,0,1|2,0,0]=4 2005 B17R2.5301 Cc1cc(ccn1)CSCc2ccccc2 62a_100000211182_200020672517 [0,1,0,0,0,1|2,0,0]=4 2006 B17R2.5301 Cc1cc(ccn1)CSCc2ccccc2 62a_200020672517_100015291786 [0,1,0,0,0,1|2,0,0]=4 2007 B17R2.5301 Cc1cc(ccn1)CSCc2ccncc2 62a_100015193705_200020672517 [0,1,0,0,0,1|1,0,0]=3 2008 B17R2.5301 Cc1cc(ccn1)CSCc2ccncc2 62a_200020672517_100015193705 [0,1,0,0,0,1|1,0,0]=3 2009 B17R2.5301 Cc1cc(ccn1)NCCc2ccncc2 27a_100000742849_100000758586 [0,1,0,0,0,1|2,0,0]=4 2010 B17R2.5301 Cc1cc(ccn1)SCCc2ccccc2 62a_100000758586_100011218657 [0,1,0,0,0,1|2,0,0]=4 2011 B17R2.5301 Cc1cc(ccn1)SCCc2ccccc2 62a_100000765856_100000758586 [0,1,0,0,0,1|2,0,0]=4 2012 B17R2.5301 Cc1cc(ccn1)SCCc2ccncc2 62a_100000723409_100000758586 [0,1,0,0,0,1|1,0,0]=3 2013 B17R2.5301 Cc1cc(ccn1)SCCc2ccncc2 62a_100000758586_100000723409 [0,1,0,0,0,1|1,0,0]=3 2014 B17R2.5301 Cc1cc(ccn1)SCSc2ccccc2 62a_100000758586_100011218342 [0,1,0,0,0,1|1,0,0]=3 2015 B17R2.5301 Cc1cc(ccn1)SCSc2ccccc2 62a_100011218342_100000758586 [0,1,0,0,0,1|1,0,0]=3 2016 B17R2.5301 Cc1cc(ncn1)SCCc2ccncc2 62a_100000723409_100000744208 [0,1,0,0,0,1|2,0,0]=4 2017 B17R2.5301 Cc1cc(ncn1)SCCc2ccncc2 62a_100000744208_100000723409 [0,1,0,0,0,1|2,0,0]=4 2018 B17R2.5301 Cc1cc(ncn1)SCSc2ccccc2 62a_100000744208_100011218342 [0,1,0,0,0,1|2,0,0]=4 2019 B17R2.5301 Cc1cc(ncn1)SCSc2ccccc2 62a_100011218342_100000744208 [0,1,0,0,0,1|2,0,0]=4 2020 B17R2.5301 Cc1cccc(c1)CCSc2ccncc2 62a_100000728582_100011713685 [0,1,0,0,0,1|2,0,0]=4 2021 B17R2.5301 Cc1cccc(c1)CCSc2ccncc2 62a_100011713685_100000728582 [0,1,0,0,0,1|2,0,0]=4 2022 B17R2.5301 Cc1cccc(c1)CSCc2ccncc2 62a_100000211840_100015193705 [0,1,0,0,0,1|2,0,0]=4 2023 B17R2.5301 Cc1cccc(c1)CSCc2ccncc2 62a_100015193705_100000211840 [0,1,0,0,0,1|2,0,0]=4 2024 B17R2.5301 Cc1cccc(c1)SCCc2ccncc2 62a_100000723409_100011215228 [0,1,0,0,0,1|2,0,0]=4 2025 B17R2.5301 Cc1cccc(c1)SCCc2ccncc2 62a_100011215228_100000723409 [0,1,0,0,0,1|2,0,0]=4 2026 B17R2.5301 Cc1cccc(c1)SCSc2ccccc2 62a_100011215228_100011218342 [0,1,0,0,0,1|2,0,0]=4 2027 B17R2.5301 Cc1cccc(c1)SCSc2ccccc2 62a_100011218342_100011215228 [0,1,0,0,0,1|2,0,0]=4 2028 B17R2.5301 Cc1nccc(n1)SCCc2ccncc2 62a_100000723409_100000749937 [0,1,0,0,0,1|2,0,0]=4 2029 B17R2.5301 Cc1nccc(n1)SCCc2ccncc2 62a_100000749937_100000723409 [0,1,0,0,0,1|2,0,0]=4 2030 B17R2.5301 Cc1nccc(n1)SCSc2ccccc2 62a_100000749937_100011218342 [0,1,0,0,0,1|2,0,0]=4 2031 B17R2.5301 Cc1nccc(n1)SCSc2ccccc2 62a_100011218342_100000749937 [0,1,0,0,0,1|2,0,0]=4 2032 B17R2.5301 Clc1cc(ccn1)C=NNc2ccncc2 4a_100000698918_100011290808 [0,1,0,0,0,1|2,0,0]=4 2033 B17R2.5301 Clc1cc(ccn1)CNCc2ccncc2 2230a_100015205668_100015193705 [0,1,0,0,0,1|2,0,0]=4 2034 B17R2.5301 Clc1cc(ccn1)CSCc2ccccc2 62a_100000211182_100000764220 [0,1,0,0,0,1|2,0,0]=4 2035 B17R2.5301 Clc1cc(ccn1)CSCc2ccccc2 62a_100000764220_100015291786 [0,1,0,0,0,1|2,0,0]=4 2036 B17R2.5301 Clc1cc(ccn1)CSCc2ccncc2 62a_100000764220_100015193705 [0,1,0,0,0,1|1,0,0]=3 2037 B17R2.5301 Clc1cc(ccn1)CSCc2ccncc2 62a_100015193705_100000764220 [0,1,0,0,0,1|1,0,0]=3 2038 B17R2.5301 Clc1cc(ccn1)NN=Cc2ccncc2 4a_100000089018_100000186114 [0,1,0,0,0,1|2,0,0]=4 2039 B17R2.5301 Clc1cc(ccn1)SCCc2ccccc2 62a_100000035001_100011218657 [0,1,0,0,0,1|2,0,0]=4 2040 B17R2.5301 Clc1cc(ccn1)SCCc2ccccc2 62a_100000765856_100000035001 [0,1,0,0,0,1|2,0,0]=4 2041 B17R2.5301 Clc1cc(ccn1)SCCc2ccncc2 62a_100000035001_100000723409 [0,1,0,0,0,1|1,0,0]=3 2042 B17R2.5301 Clc1cc(ccn1)SCCc2ccncc2 62a_100000723409_100000035001 [0,1,0,0,0,1|1,0,0]=3 2043 B17R2.5301 Clc1cc(ccn1)SCSc2ccccc2 62a_100000035001_100011218342 [0,1,0,0,0,1|1,0,0]=3 2044 B17R2.5301 Clc1cc(ccn1)SCSc2ccccc2 62a_100011218342_100000035001 [0,1,0,0,0,1|1,0,0]=3 2045 B17R2.5301 Clc1cc(ncn1)SCCc2ccncc2 62a_100000723409_100010161198 [0,1,0,0,0,1|2,0,0]=4 2046 B17R2.5301 Clc1cc(ncn1)SCCc2ccncc2 62a_100010161198_100000723409 [0,1,0,0,0,1|2,0,0]=4 2047 B17R2.5301 Clc1cc(ncn1)SCSc2ccccc2 62a_100010161198_100011218342 [0,1,0,0,0,1|2,0,0]=4 2048 B17R2.5301 Clc1cc(ncn1)SCSc2ccccc2 62a_100011218342_100010161198 [0,1,0,0,0,1|2,0,0]=4 2049 B17R2.5301 Clc1cccc(c1)CCSc2ccncc2 62a_100000728582_100011713710 [0,1,0,0,0,1|2,0,0]=4 2050 B17R2.5301 Clc1cccc(c1)CCSc2ccncc2 62a_100011713710_100000728582 [0,1,0,0,0,1|2,0,0]=4 2051 B17R2.5301 Clc1cccc(c1)CSCc2ccncc2 62a_100000187163_100015193705 [0,1,0,0,0,1|2,0,0]=4 2052 B17R2.5301 Clc1cccc(c1)CSCc2ccncc2 62a_100015193705_100000187163 [0,1,0,0,0,1|2,0,0]=4 2053 B17R2.5301 Clc1cccc(c1)SCCc2ccncc2 62a_100000699651_100000723409 [0,1,0,0,0,1|2,0,0]=4 2054 B17R2.5301 Clc1cccc(c1)SCCc2ccncc2 62a_100000723409_100000699651 [0,1,0,0,0,1|2,0,0]=4 2055 B17R2.5301 Clc1nccc(n1)CSCc2ccncc2 62a_100000099655_100015193705 [0,1,0,0,0,1|2,0,0]=4 2056 B17R2.5301 Clc1nccc(n1)CSCc2ccncc2 62a_100015193705_100000099655 [0,1,0,0,0,1|2,0,0]=4 2057 B17R2.5301 Clc1nccc(n1)SCCc2ccncc2 62a_100000723409_100010154678 [0,1,0,0,0,1|2,0,0]=4 2058 B17R2.5301 Clc1nccc(n1)SCCc2ccncc2 62a_100010154678_100000723409 [0,1,0,0,0,1|2,0,0]=4 2059 B17R2.5301 Clc1nccc(n1)SCSc2ccccc2 62a_100010154678_100011218342 [0,1,0,0,0,1|2,0,0]=4 2060 B17R2.5301 Clc1nccc(n1)SCSc2ccccc2 62a_100011218342_100010154678 [0,1,0,0,0,1|2,0,0]=4 2061 B17R2.5301 Fc1cc(ccn1)C=NNc2ccncc2 4a_100000698918_100000068331 [0,1,0,0,0,1|2,0,0]=4 2062 B17R2.5301 Fc1cc(ccn1)CNCc2ccncc2 2230a_100015188774_100015193705 [0,1,0,0,0,1|2,0,0]=4 2063 B17R2.5301 Fc1cc(ccn1)NCCc2ccncc2 27a_100000742849_100009816116 [0,1,0,0,0,1|2,0,0]=4 2064 B17R2.5301 Fc1cc(ccn1)SCCc2ccccc2 62a_100000765856_100009816116 [0,1,0,0,0,1|2,0,0]=4 2065 B17R2.5301 Fc1cc(ccn1)SCCc2ccccc2 62a_100009816116_100011218657 [0,1,0,0,0,1|2,0,0]=4 2066 B17R2.5301 Fc1cc(ccn1)SCCc2ccncc2 62a_100000723409_100009816116 [0,1,0,0,0,1|1,0,0]=3 2067 B17R2.5301 Fc1cc(ccn1)SCCc2ccncc2 62a_100009816116_100000723409 [0,1,0,0,0,1|1,0,0]=3 2068 B17R2.5301 Fc1cc(ccn1)SCSc2ccccc2 62a_100009816116_100011218342 [0,1,0,0,0,1|1,0,0]=3 2069 B17R2.5301 Fc1cc(ccn1)SCSc2ccccc2 62a_100011218342_100009816116 [0,1,0,0,0,1|1,0,0]=3 2070 B17R2.5301 Fc1cc(ncn1)SCCc2ccncc2 62a_100000723409_200009880791 [0,1,0,0,0,1|2,0,0]=4 2071 B17R2.5301 Fc1cc(ncn1)SCCc2ccncc2 62a_200009880791_100000723409 [0,1,0,0,0,1|2,0,0]=4 2072 B17R2.5301 Fc1cc(ncn1)SCSc2ccccc2 62a_100011218342_200009880791 [0,1,0,0,0,1|2,0,0]=4 2073 B17R2.5301 Fc1cc(ncn1)SCSc2ccccc2 62a_200009880791_100011218342 [0,1,0,0,0,1|2,0,0]=4 2074 B17R2.5301 Fc1cccc(c1)CCSc2ccncc2 62a_100000728582_100011217235 [0,1,0,0,0,1|2,0,0]=4 2075 B17R2.5301 Fc1cccc(c1)CCSc2ccncc2 62a_100011217235_100000728582 [0,1,0,0,0,1|2,0,0]=4 2076 B17R2.5301 Fc1cccc(c1)CSCc2ccncc2 62a_100000230114_100015193705 [0,1,0,0,0,1|2,0,0]=4 2077 B17R2.5301 Fc1cccc(c1)CSCc2ccncc2 62a_100015193705_100000230114 [0,1,0,0,0,1|2,0,0]=4 2078 B17R2.5301 Fc1cccc(c1)SCCc2ccncc2 62a_100000685547_100000723409 [0,1,0,0,0,1|2,0,0]=4 2079 B17R2.5301 Fc1cccc(c1)SCCc2ccncc2 62a_100000723409_100000685547 [0,1,0,0,0,1|2,0,0]=4 2080 B17R2.5301 Fc1cccc(c1)SCSc2ccccc2 62a_100000685547_100011218342 [0,1,0,0,0,1|2,0,0]=4 2081 B17R2.5301 Fc1cccc(c1)SCSc2ccccc2 62a_100011218342_100000685547 [0,1,0,0,0,1|2,0,0]=4 2082 B17R2.5301 Ic1cccc(c1)CSCc2ccncc2 62a_100011218688_100015193705 [0,1,0,0,0,1|2,0,0]=4 2083 B17R2.5301 Ic1cccc(c1)CSCc2ccncc2 62a_100015193705_100011218688 [0,1,0,0,0,1|2,0,0]=4 2084 B17R2.5301 Nc1cc(ccn1)SCCc2ccccc2 62a_100000049665_100011218657 [0,1,0,0,0,1|2,0,0]=4 2085 B17R2.5301 Nc1cc(ccn1)SCCc2ccccc2 62a_100000765856_100000049665 [0,1,0,0,0,1|2,0,0]=4 2086 B17R2.5301 Nc1cc(ccn1)SCCc2ccncc2 62a_100000049665_100000723409 [0,1,0,0,0,1|1,0,0]=3 2087 B17R2.5301 Nc1cc(ccn1)SCCc2ccncc2 62a_100000723409_100000049665 [0,1,0,0,0,1|1,0,0]=3 2088 B17R2.5301 Nc1cc(ccn1)SCSc2ccccc2 62a_100000049665_100011218342 [0,1,0,0,0,1|1,0,0]=3 2089 B17R2.5301 Nc1cc(ccn1)SCSc2ccccc2 62a_100011218342_100000049665 [0,1,0,0,0,1|1,0,0]=3 2090 B17R2.5301 Nc1cc(cnn1)SCCc2ccncc2 62a_100000130277_100000723409 [0,1,0,0,0,1|2,0,0]=4 2091 B17R2.5301 Nc1cc(cnn1)SCCc2ccncc2 62a_100000723409_100000130277 [0,1,0,0,0,1|2,0,0]=4 2092 B17R2.5301 Nc1cc(cnn1)SCSc2ccccc2 62a_100000130277_100011218342 [0,1,0,0,0,1|2,0,0]=4 2093 B17R2.5301 Nc1cc(cnn1)SCSc2ccccc2 62a_100011218342_100000130277 [0,1,0,0,0,1|2,0,0]=4 2094 B17R2.5301 Nc1cc(ncn1)SCCc2ccncc2 62a_100000701291_100000723409 [0,1,0,0,0,1|2,0,0]=4 2095 B17R2.5301 Nc1cc(ncn1)SCCc2ccncc2 62a_100000723409_100000701291 [0,1,0,0,0,1|2,0,0]=4 2096 B17R2.5301 Nc1cc(ncn1)SCSc2ccccc2 62a_100000701291_100011218342 [0,1,0,0,0,1|2,0,0]=4 2097 B17R2.5301 Nc1cc(ncn1)SCSc2ccccc2 62a_100011218342_100000701291 [0,1,0,0,0,1|2,0,0]=4 2098 B17R2.5301 Nc1cccc(c1)SCCc2ccncc2 62a_100000210019_100000723409 [0,1,0,0,0,1|2,0,0]=4 2099 B17R2.5301 Nc1cccc(c1)SCCc2ccncc2 62a_100000723409_100000210019 [0,1,0,0,0,1|2,0,0]=4 2100 B17R2.5301 Nc1cccc(c1)SCSc2ccccc2 62a_100000210019_100011218342 [0,1,0,0,0,1|2,0,0]=4 2101 B17R2.5301 Nc1cccc(c1)SCSc2ccccc2 62a_100011218342_100000210019 [0,1,0,0,0,1|2,0,0]=4 2102 B17R2.5301 Nc1nccc(n1)SCCc2ccncc2 62a_100000055538_100000723409 [0,1,0,0,0,1|2,0,0]=4 2103 B17R2.5301 Nc1nccc(n1)SCCc2ccncc2 62a_100000723409_100000055538 [0,1,0,0,0,1|2,0,0]=4 2104 B17R2.5301 Nc1nccc(n1)SCSc2ccccc2 62a_100000055538_100011218342 [0,1,0,0,0,1|2,0,0]=4 2105 B17R2.5301 Nc1nccc(n1)SCSc2ccccc2 62a_100011218342_100000055538 [0,1,0,0,0,1|2,0,0]=4 2106 B17R2.5301 O=c1cc(cc[nH]1)SCCc2ccncc2 62a_100000723409_100009816521 [0,1,0,0,0,1|1,0,1]=4 2107 B17R2.5301 O=c1cc(cc[nH]1)SCCc2ccncc2 62a_100009816521_100000723409 [0,1,0,0,0,1|1,0,1]=4 2108 B17R2.5301 O=c1cc(cc[nH]1)SCSc2ccccc2 62a_100009816521_100011218342 [0,1,0,0,0,1|1,0,1]=4 2109 B17R2.5301 O=c1cc(cc[nH]1)SCSc2ccccc2 62a_100011218342_100009816521 [0,1,0,0,0,1|1,0,1]=4 2110 B17R2.5301 Oc1cc(ccn1)C=NNc2ccncc2 4a_100000698918_100000688113 [0,1,0,0,0,1|2,0,0]=4 2111 B17R2.5301 Oc1cc(ncn1)SCCc2ccncc2 62a_100000723409_100000765262 [0,1,0,0,0,1|2,0,0]=4 2112 B17R2.5301 Oc1cc(ncn1)SCSc2ccccc2 62a_100011218342_100000765262 [0,1,0,0,0,1|2,0,0]=4 2113 B17R2.5301 Oc1cccc(c1)CSCc2ccncc2 62a_100011660834_100015193705 [0,1,0,0,0,1|2,0,0]=4 2114 B17R2.5301 Oc1cccc(c1)CSCc2ccncc2 62a_100015193705_100011660834 [0,1,0,0,0,1|2,0,0]=4 2115 B17R2.5301 Oc1cccc(c1)SCCc2ccncc2 62a_100000723409_100000211634 [0,1,0,0,0,1|2,0,0]=4 2116 B17R2.5301 Oc1cccc(c1)SCSc2ccccc2 62a_100011218342_100000211634 [0,1,0,0,0,1|2,0,0]=4 2117 B17R2.5301 [S]c1cccc(c1)SCCc2ccncc2 62a_100000723409_114929384022 [0,1,0,0,0,1|2,0,0]=4 2118 B17R2.5301 [S]c1cccc(c1)SCCc2ccncc2 62a_114929384022_100000723409 [0,1,0,0,0,1|2,0,0]=4 2119 B17R2.262 C=Cc1ccccc1SCc2ccncc2 62a_100011218376_100015193705 [0,2,0,0,0,0|2,0,0]=4 2120 B17R2.262 C=Cc1ccccc1SCc2ccncc2 62a_100015193705_100011218376 [0,2,0,0,0,0|2,0,0]=4 2121 B17R2.262 CCc1ccccc1SCc2ccncc2 62a_100011215823_100015193705 [0,2,0,0,0,0|2,0,0]=4 2122 B17R2.262 CCc1ccccc1SCc2ccncc2 62a_100015193705_100011215823 [0,2,0,0,0,0|2,0,0]=4 2123 B17R2.262 CCc1cnccc1SCc2ccccc2 62a_100000211182_100025704421 [0,2,0,0,0,0|2,0,0]=4 2124 B17R2.262 CCc1cnccc1SCc2ccccc2 62a_100025704421_100015291786 [0,2,0,0,0,0|2,0,0]=4 2125 B17R2.262 CCc1cnccc1SCc2ccncc2 62a_100015193705_100025704421 [0,2,0,0,0,0|1,0,0]=3 2126 B17R2.262 CCc1cnccc1SCc2ccncc2 62a_100025704421_100015193705 [0,2,0,0,0,0|1,0,0]=3 2127 B17R2.262 CCc1cncnc1SCc2ccncc2 62a_100015193705_200000100055 [0,2,0,0,0,0|2,0,0]=4 2128 B17R2.262 CCc1cncnc1SCc2ccncc2 62a_200000100055_100015193705 [0,2,0,0,0,0|2,0,0]=4 2129 B17R2.262 CNc1ccccc1SCc2ccncc2 62a_100015193705_100020606079 [0,2,0,0,0,0|2,0,0]=4 2130 B17R2.262 CNc1ccccc1SCc2ccncc2 62a_100020606079_100015193705 [0,2,0,0,0,0|2,0,0]=4 2131 B17R2.262 COc1ccccc1CSc2ccncc2 62a_100000210004_100000728582 [0,2,0,0,0,0|2,0,0]=4 2132 B17R2.262 COc1ccccc1CSc2ccncc2 62a_100000728582_100000210004 [0,2,0,0,0,0|2,0,0]=4 2133 B17R2.262 COc1ccccc1SCc2ccncc2 62a_100000210334_100015193705 [0,2,0,0,0,0|2,0,0]=4 2134 B17R2.262 COc1ccccc1SCc2ccncc2 62a_100015193705_100000210334 [0,2,0,0,0,0|2,0,0]=4 2135 B17R2.262 COc1cnccc1CSc2ccccc2 62a_100000719477_100020635607 [0,2,0,0,0,0|2,0,0]=4 2136 B17R2.262 COc1cnccc1CSc2ccccc2 62a_100020635607_100000041952 [0,2,0,0,0,0|2,0,0]=4 2137 B17R2.262 COc1cnccc1CSc2ccncc2 62a_100000728582_100020635607 [0,2,0,0,0,0|1,0,0]=3 2138 B17R2.262 COc1cnccc1CSc2ccncc2 62a_100020635607_100000728582 [0,2,0,0,0,0|1,0,0]=3 2139 B17R2.262 COc1cnccc1CSc2ccncn2 62a_100000703185_100020635607 [0,2,0,0,0,0|2,0,0]=4 2140 B17R2.262 COc1cnccc1CSc2ccncn2 62a_100020635607_100000703185 [0,2,0,0,0,0|2,0,0]=4 2141 B17R2.262 COc1cnccc1CSc2ccnnc2 62a_100000732662_100020635607 [0,2,0,0,0,0|2,0,0]=4 2142 B17R2.262 COc1cnccc1CSc2ccnnc2 62a_100020635607_100000732662 [0,2,0,0,0,0|2,0,0]=4 2143 B17R2.262 COc1cnccc1SCc2ccccc2 62a_100000211182_100016988167 [0,2,0,0,0,0|2,0,0]=4 2144 B17R2.262 COc1cnccc1SCc2ccccc2 62a_100016988167_100015291786 [0,2,0,0,0,0|2,0,0]=4 2145 B17R2.262 COc1cnccc1SCc2ccncc2 62a_100015193705_100016988167 [0,2,0,0,0,0|1,0,0]=3 2146 B17R2.262 COc1cnccc1SCc2ccncc2 62a_100016988167_100015193705 [0,2,0,0,0,0|1,0,0]=3 2147 B17R2.262 COc1cncnc1SCc2ccncc2 62a_100012001275_100015193705 [0,2,0,0,0,0|2,0,0]=4 2148 B17R2.262 COc1cncnc1SCc2ccncc2 62a_100015193705_100012001275 [0,2,0,0,0,0|2,0,0]=4 2149 B17R2.262 CSc1ccccc1CSc2ccncc2 62a_100000699184_100000728582 [0,2,0,0,0,0|2,0,0]=4 2150 B17R2.262 CSc1ccccc1CSc2ccncc2 62a_100000728582_100000699184 [0,2,0,0,0,0|2,0,0]=4 2151 B17R2.262 CSc1ccccc1SCc2ccncc2 62a_100011217816_100015193705 [0,2,0,0,0,0|2,0,0]=4 2152 B17R2.262 CSc1ccccc1SCc2ccncc2 62a_100015193705_100011217816 [0,2,0,0,0,0|2,0,0]=4 2153 B17R2.262 N#Cc1ccccc1CSc2ccncc2 62a_100000186380_100000728582 [0,2,0,0,0,0|2,0,0]=4 2154 B17R2.262 N#Cc1ccccc1CSc2ccncc2 62a_100000728582_100000181865 [0,2,0,0,0,0|2,0,0]=4 2155 B17R2.262 N#Cc1ccccc1SCc2ccncc2 62a_100015193705_100000188569 [0,2,0,0,0,0|2,0,0]=4 2156 B17R2.262 N#Cc1cnccc1NCc2ccncc2 27a_100000210450_100000687039 [0,2,0,0,0,0|2,0,0]=4 2157 B17R2.262 N#Cc1cnccc1SCc2ccccc2 62a_100000211182_100000687039 [0,2,0,0,0,0|2,0,0]=4 2158 B17R2.262 N#Cc1cnccc1SCc2ccncc2 62a_100015193705_100000687039 [0,2,0,0,0,0|1,0,0]=3 2159 B17R2.262 N#Cc1cncnc1SCc2ccncc2 62a_100015193705_100000687955 [0,2,0,0,0,0|2,0,0]=4 2160 B17R2.262 NCc1ccccc1SCc2ccncc2 62a_100000689332_100015193705 [0,2,0,0,0,0|2,0,0]=4 2161 B17R2.262 NCc1ccccc1SCc2ccncc2 62a_100015193705_100000689332 [0,2,0,0,0,0|2,0,0]=4 2162 B17R2.262 NNc1ccccc1SCc2ccncc2 62a_100000241748_100015193705 [0,2,0,0,0,0|2,0,0]=4 2163 B17R2.262 NNc1ccccc1SCc2ccncc2 62a_100015193705_100000241748 [0,2,0,0,0,0|2,0,0]=4 2164 B17R2.262 O=Cc1ccccc1CSc2ccncc2 62a_100000728582_200009853537 [0,2,0,0,0,0|2,0,0]=4 2165 B17R2.262 O=Cc1ccccc1CSc2ccncc2 62a_200009853537_100000728582 [0,2,0,0,0,0|2,0,0]=4 2166 B17R2.262 O=Cc1ccccc1SCc2ccncc2 62a_100000210073_100015193705 [0,2,0,0,0,0|2,0,0]=4 2167 B17R2.262 O=Cc1ccccc1SCc2ccncc2 62a_100015193705_100000210073 [0,2,0,0,0,0|2,0,0]=4 2168 B17R2.262 O=Cc1cnccc1SCc2ccccc2 62a_100000050567_100015291786 [0,2,0,0,0,0|2,0,0]=4 2169 B17R2.262 O=Cc1cnccc1SCc2ccccc2 62a_100000211182_100000050567 [0,2,0,0,0,0|2,0,0]=4 2170 B17R2.262 O=Cc1cnccc1SCc2ccncc2 62a_100000050567_100015193705 [0,2,0,0,0,0|1,0,0]=3 2171 B17R2.262 O=Cc1cnccc1SCc2ccncc2 62a_100015193705_100000050567 [0,2,0,0,0,0|1,0,0]=3 2172 B17R2.262 OCc1ccccc1CSc2ccncc2 62a_100000728582_100009816955 [0,2,0,0,0,0|2,0,0]=4 2173 B17R2.262 OCc1ccccc1CSc2ccncc2 62a_100009816955_100000728582 [0,2,0,0,0,0|2,0,0]=4 2174 B17R2.262 OCc1ccccc1SCc2ccncc2 62a_100000187465_100015193705 [0,2,0,0,0,0|2,0,0]=4 2175 B17R2.262 OCc1ccccc1SCc2ccncc2 62a_100015193705_100000187465 [0,2,0,0,0,0|2,0,0]=4 2176 B17R2.262 OCc1cnccc1NCc2ccncc2 27a_100000210450_100000117392 [0,2,0,0,0,0|2,0,0]=4 2177 B17R2.262 OCc1cnccc1SCc2ccccc2 62a_100000117392_100015291786 [0,2,0,0,0,0|2,0,0]=4 2178 B17R2.262 OCc1cnccc1SCc2ccccc2 62a_100000211182_100000117392 [0,2,0,0,0,0|2,0,0]=4 2179 B17R2.262 OCc1cnccc1SCc2ccncc2 62a_100000117392_100015193705 [0,2,0,0,0,0|1,0,0]=3 2180 B17R2.262 OCc1cnccc1SCc2ccncc2 62a_100015193705_100000117392 [0,2,0,0,0,0|1,0,0]=3 2181 B17R2.496 Brc1ccc(cc1)CSc2ccncc2Br 62a_100000189115_100000726257 [0,2,0,0,0,0|2,0,0]=4 2182 B17R2.496 Brc1ccc(cc1)CSc2ccncc2Br 62a_100000726257_100000189115 [0,2,0,0,0,0|2,0,0]=4 2183 B17R2.496 Brc1cnccc1SCc2ccc(cc2)I 62a_100000189116_100000726257 [0,2,0,0,0,0|2,0,0]=4 2184 B17R2.496 Brc1cnccc1SCc2ccc(cc2)I 62a_100000726257_100000189116 [0,2,0,0,0,0|2,0,0]=4 2185 B17R2.496 Cc1ccc(cc1)CSc2ccncc2Br 62a_100000210814_100000726257 [0,2,0,0,0,0|2,0,0]=4 2186 B17R2.496 Cc1ccc(cc1)CSc2ccncc2Br 62a_100000726257_100000210814 [0,2,0,0,0,0|2,0,0]=4 2187 B17R2.496 Cc1ccc(cc1)CSc2ccncc2C 62a_100000210814_100000765111 [0,2,0,0,0,0|2,0,0]=4 2188 B17R2.496 Cc1ccc(cc1)CSc2ccncc2C 62a_100000765111_100000210814 [0,2,0,0,0,0|2,0,0]=4 2189 B17R2.496 Cc1ccc(cc1)CSc2ccncc2Cl 62a_100000210814_100000708259 [0,2,0,0,0,0|2,0,0]=4 2190 B17R2.496 Cc1ccc(cc1)CSc2ccncc2Cl 62a_100000708259_100000210814 [0,2,0,0,0,0|2,0,0]=4 2191 B17R2.496 Cc1ccc(cc1)CSc2ccncc2F 62a_100000047030_100000210814 [0,2,0,0,0,0|2,0,0]=4 2192 B17R2.496 Cc1ccc(cc1)CSc2ccncc2F 62a_100000210814_100000047030 [0,2,0,0,0,0|2,0,0]=4 2193 B17R2.496 Cc1ccc(cc1)CSc2ccncc2N 62a_100000210814_100000756074 [0,2,0,0,0,0|2,0,0]=4 2194 B17R2.496 Cc1ccc(cc1)CSc2ccncc2N 62a_100000756074_100000210814 [0,2,0,0,0,0|2,0,0]=4 2195 B17R2.496 Cc1ccc(cc1)CSc2ccncc2O 62a_100000210814_100009817591 [0,2,0,0,0,0|2,0,0]=4 2196 B17R2.496 Cc1ccc(cc1)CSc2ccncc2O 62a_100009817591_100000210814 [0,2,0,0,0,0|2,0,0]=4 2197 B17R2.496 Cc1ccc(cc1)SCc2ccncc2C 62a_100000186775_100020672808 [0,2,0,0,0,0|2,0,0]=4 2198 B17R2.496 Cc1ccc(cc1)SCc2ccncc2C 62a_100020672808_100000186775 [0,2,0,0,0,0|2,0,0]=4 2199 B17R2.496 Cc1ccc(cc1)SCc2ccncc2Cl 62a_100000186775_100000763264 [0,2,0,0,0,0|2,0,0]=4 2200 B17R2.496 Cc1ccc(cc1)SCc2ccncc2Cl 62a_100000763264_100000186775 [0,2,0,0,0,0|2,0,0]=4 2201 B17R2.496 Cc1cnccc1CSc2cc[n+](cc2)[O-] 62a_100020672808_100000039755 [0,2,0,0,0,0|1,0,1]=4 2202 B17R2.496 Cc1cnccc1CSc2ccc(cc2)Br 62a_100000752885_100020672808 [0,2,0,0,0,0|2,0,0]=4 2203 B17R2.496 Cc1cnccc1CSc2ccc(cc2)Br 62a_100020672808_100000752885 [0,2,0,0,0,0|2,0,0]=4 2204 B17R2.496 Cc1cnccc1CSc2ccc(cc2)Cl 62a_100000755918_100020672808 [0,2,0,0,0,0|2,0,0]=4 2205 B17R2.496 Cc1cnccc1CSc2ccc(cc2)Cl 62a_100020672808_100000755918 [0,2,0,0,0,0|2,0,0]=4 2206 B17R2.496 Cc1cnccc1CSc2ccc(cc2)F 62a_100000211213_100020672808 [0,2,0,0,0,0|2,0,0]=4 2207 B17R2.496 Cc1cnccc1CSc2ccc(cc2)F 62a_100020672808_100000211213 [0,2,0,0,0,0|2,0,0]=4 2208 B17R2.496 Cc1cnccc1CSc2ccc(cc2)N 62a_100000185761_100020672808 [0,2,0,0,0,0|2,0,0]=4 2209 B17R2.496 Cc1cnccc1CSc2ccc(cc2)N 62a_100020672808_100000185761 [0,2,0,0,0,0|2,0,0]=4 2210 B17R2.496 Cc1cnccc1CSc2ccc(cc2)O 62a_100020672808_100000185759 [0,2,0,0,0,0|2,0,0]=4 2211 B17R2.496 Cc1cnccc1SCc2ccc(cc2)Br 62a_100000189115_100000765111 [0,2,0,0,0,0|2,0,0]=4 2212 B17R2.496 Cc1cnccc1SCc2ccc(cc2)Br 62a_100000765111_100000189115 [0,2,0,0,0,0|2,0,0]=4 2213 B17R2.496 Cc1cnccc1SCc2ccc(cc2)Cl 62a_100000187161_100000765111 [0,2,0,0,0,0|2,0,0]=4 2214 B17R2.496 Cc1cnccc1SCc2ccc(cc2)Cl 62a_100000765111_100000187161 [0,2,0,0,0,0|2,0,0]=4 2215 B17R2.496 Cc1cnccc1SCc2ccc(cc2)F 62a_100000198546_100000765111 [0,2,0,0,0,0|2,0,0]=4 2216 B17R2.496 Cc1cnccc1SCc2ccc(cc2)F 62a_100000765111_100000187164 [0,2,0,0,0,0|2,0,0]=4 2217 B17R2.496 Cc1cnccc1SCc2ccc(cc2)I 62a_100000189116_100000765111 [0,2,0,0,0,0|2,0,0]=4 2218 B17R2.496 Cc1cnccc1SCc2ccc(cc2)I 62a_100000765111_100000189116 [0,2,0,0,0,0|2,0,0]=4 2219 B17R2.496 Clc1ccc(cc1)CSc2ccncc2Br 62a_100000187161_100000726257 [0,2,0,0,0,0|2,0,0]=4 2220 B17R2.496 Clc1ccc(cc1)CSc2ccncc2Br 62a_100000726257_100000187161 [0,2,0,0,0,0|2,0,0]=4 2221 B17R2.496 Clc1ccc(cc1)CSc2ccncc2Cl 62a_100000187161_100000708259 [0,2,0,0,0,0|2,0,0]=4 2222 B17R2.496 Clc1ccc(cc1)CSc2ccncc2Cl 62a_100000708259_100000187161 [0,2,0,0,0,0|2,0,0]=4 2223 B17R2.496 Clc1ccc(cc1)SCc2ccncc2Cl 62a_100000755918_100000763264 [0,2,0,0,0,0|2,0,0]=4 2224 B17R2.496 Clc1ccc(cc1)SCc2ccncc2Cl 62a_100000763264_100000755918 [0,2,0,0,0,0|2,0,0]=4 2225 B17R2.496 Clc1cnccc1CSc2ccc(cc2)Br 62a_100000752885_100000763264 [0,2,0,0,0,0|2,0,0]=4 2226 B17R2.496 Clc1cnccc1CSc2ccc(cc2)Br 62a_100000763264_100000752885 [0,2,0,0,0,0|2,0,0]=4 2227 B17R2.496 Clc1cnccc1SCc2ccc(cc2)Br 62a_100000189115_100000708259 [0,2,0,0,0,0|2,0,0]=4 2228 B17R2.496 Clc1cnccc1SCc2ccc(cc2)Br 62a_100000708259_100000189115 [0,2,0,0,0,0|2,0,0]=4 2229 B17R2.496 Clc1cnccc1SCc2ccc(cc2)I 62a_100000189116_100000708259 [0,2,0,0,0,0|2,0,0]=4 2230 B17R2.496 Clc1cnccc1SCc2ccc(cc2)I 62a_100000708259_100000189116 [0,2,0,0,0,0|2,0,0]=4 2231 B17R2.496 Fc1ccc(cc1)CSc2ccncc2Br 62a_100000198546_100000726257 [0,2,0,0,0,0|2,0,0]=4 2232 B17R2.496 Fc1ccc(cc1)CSc2ccncc2Br 62a_100000726257_100000187164 [0,2,0,0,0,0|2,0,0]=4 2233 B17R2.496 Fc1ccc(cc1)CSc2ccncc2Cl 62a_100000198546_100000708259 [0,2,0,0,0,0|2,0,0]=4 2234 B17R2.496 Fc1ccc(cc1)CSc2ccncc2Cl 62a_100000708259_100000187164 [0,2,0,0,0,0|2,0,0]=4 2235 B17R2.496 Fc1ccc(cc1)CSc2ccncc2F 62a_100000047030_100000187164 [0,2,0,0,0,0|2,0,0]=4 2236 B17R2.496 Fc1ccc(cc1)CSc2ccncc2F 62a_100000198546_100000047030 [0,2,0,0,0,0|2,0,0]=4 2237 B17R2.496 Fc1ccc(cc1)SCc2ccncc2Cl 62a_100000211213_100000763264 [0,2,0,0,0,0|2,0,0]=4 2238 B17R2.496 Fc1ccc(cc1)SCc2ccncc2Cl 62a_100000763264_100000211213 [0,2,0,0,0,0|2,0,0]=4 2239 B17R2.496 Fc1cnccc1SCc2ccc(cc2)Br 62a_100000047030_100000189115 [0,2,0,0,0,0|2,0,0]=4 2240 B17R2.496 Fc1cnccc1SCc2ccc(cc2)Br 62a_100000189115_100000047030 [0,2,0,0,0,0|2,0,0]=4 2241 B17R2.496 Fc1cnccc1SCc2ccc(cc2)Cl 62a_100000047030_100000187161 [0,2,0,0,0,0|2,0,0]=4 2242 B17R2.496 Fc1cnccc1SCc2ccc(cc2)Cl 62a_100000187161_100000047030 [0,2,0,0,0,0|2,0,0]=4 2243 B17R2.496 Fc1cnccc1SCc2ccc(cc2)I 62a_100000047030_100000189116 [0,2,0,0,0,0|2,0,0]=4 2244 B17R2.496 Fc1cnccc1SCc2ccc(cc2)I 62a_100000189116_100000047030 [0,2,0,0,0,0|2,0,0]=4 2245 B17R2.496 Nc1ccc(cc1)SCc2ccncc2Cl 62a_100000185761_100000763264 [0,2,0,0,0,0|2,0,0]=4 2246 B17R2.496 Nc1ccc(cc1)SCc2ccncc2Cl 62a_100000763264_100000185761 [0,2,0,0,0,0|2,0,0]=4 2247 B17R2.496 Nc1cnccc1SCc2ccc(cc2)Br 62a_100000189115_100000756074 [0,2,0,0,0,0|2,0,0]=4 2248 B17R2.496 Nc1cnccc1SCc2ccc(cc2)Br 62a_100000756074_100000189115 [0,2,0,0,0,0|2,0,0]=4 2249 B17R2.496 Nc1cnccc1SCc2ccc(cc2)Cl 62a_100000187161_100000756074 [0,2,0,0,0,0|2,0,0]=4 2250 B17R2.496 Nc1cnccc1SCc2ccc(cc2)Cl 62a_100000756074_100000187161 [0,2,0,0,0,0|2,0,0]=4 2251 B17R2.496 Nc1cnccc1SCc2ccc(cc2)F 62a_100000198546_100000756074 [0,2,0,0,0,0|2,0,0]=4 2252 B17R2.496 Nc1cnccc1SCc2ccc(cc2)F 62a_100000756074_100000187164 [0,2,0,0,0,0|2,0,0]=4 2253 B17R2.496 Nc1cnccc1SCc2ccc(cc2)I 62a_100000189116_100000756074 [0,2,0,0,0,0|2,0,0]=4 2254 B17R2.496 Nc1cnccc1SCc2ccc(cc2)I 62a_100000756074_100000189116 [0,2,0,0,0,0|2,0,0]=4 2255 B17R2.496 Oc1ccc(cc1)SCc2ccncc2Cl 62a_100000763264_100000185759 [0,2,0,0,0,0|2,0,0]=4 2256 B17R2.496 Oc1cnccc1SCc2ccc(cc2)Br 62a_100000189115_100009817591 [0,2,0,0,0,0|2,0,0]=4 2257 B17R2.496 Oc1cnccc1SCc2ccc(cc2)Br 62a_100009817591_100000189115 [0,2,0,0,0,0|2,0,0]=4 2258 B17R2.496 Oc1cnccc1SCc2ccc(cc2)Cl 62a_100000187161_100009817591 [0,2,0,0,0,0|2,0,0]=4 2259 B17R2.496 Oc1cnccc1SCc2ccc(cc2)Cl 62a_100009817591_100000187161 [0,2,0,0,0,0|2,0,0]=4 2260 B17R2.496 Oc1cnccc1SCc2ccc(cc2)F 62a_100000198546_100009817591 [0,2,0,0,0,0|2,0,0]=4 2261 B17R2.496 Oc1cnccc1SCc2ccc(cc2)F 62a_100009817591_100000187164 [0,2,0,0,0,0|2,0,0]=4 2262 B17R2.496 Oc1cnccc1SCc2ccc(cc2)I 62a_100000189116_100009817591 [0,2,0,0,0,0|2,0,0]=4 2263 B17R2.496 Oc1cnccc1SCc2ccc(cc2)I 62a_100009817591_100000189116 [0,2,0,0,0,0|2,0,0]=4 2264 B17R2.496 [O-][n+]1ccc(cc1)SCc2ccncc2Cl 62a_100000763264_100000039755 [0,2,0,0,0,0|1,0,1]=4 2265 B17R2.3417 CC(Sc1ccncc1)c2ccccc2Cl 62a_100000181259_100000728582 [0,2,0,0,0,0|2,0,0]=4 2266 B17R2.3417 CC(Sc1ccncc1)c2ccccc2Cl 62a_100000728582_100000181259 [0,2,0,0,0,0|2,0,0]=4 2267 B17R2.3417 CC(Sc1ccncc1)c2ccccc2F 62a_100000728582_200000741388 [0,2,0,0,0,0|2,0,0]=4 2268 B17R2.3417 CC(Sc1ccncc1)c2ccccc2F 62a_200000741388_100000728582 [0,2,0,0,0,0|2,0,0]=4 2269 B17R2.3417 CN(Cc1ccncc1)c2ccncc2Br 27a_100000187231_100000726257 [0,2,0,0,0,0|2,0,0]=4 2270 B17R2.3417 CN(Cc1ccncc1)c2ccncc2F 27a_100000187231_100000035921 [0,2,0,0,0,0|2,0,0]=4 2271 B17R2.3417 Cc1cnccc1N(C)Cc2ccncc2 27a_100000187231_100000765111 [0,2,0,0,0,0|2,0,0]=4 2272 B17R2.3426 CC(Nc1ccncc1Br)c2ccncc2 27a_100000181269_100000726257 [0,2,0,0,0,0|2,0,0]=4 2273 B17R2.3426 CC(Nc1ccncc1F)c2ccncc2 27a_100000181269_100000035921 [0,2,0,0,0,0|2,0,0]=4 2274 B17R2.3426 CC(Sc1ccncc1Br)c2ccccc2 62a_100000230085_100000726257 [0,2,0,0,0,0|2,0,0]=4 2275 B17R2.3426 CC(Sc1ccncc1Br)c2ccccc2 62a_100000726257_100000230085 [0,2,0,0,0,0|2,0,0]=4 2276 B17R2.3426 CC(Sc1ccncc1Cl)c2ccccc2 62a_100000230085_100000708259 [0,2,0,0,0,0|2,0,0]=4 2277 B17R2.3426 CC(Sc1ccncc1Cl)c2ccccc2 62a_100000708259_100000230085 [0,2,0,0,0,0|2,0,0]=4 2278 B17R2.3426 CC(Sc1ccncc1F)c2ccccc2 62a_100000047030_100000230085 [0,2,0,0,0,0|2,0,0]=4 2279 B17R2.3426 CC(Sc1ccncc1F)c2ccccc2 62a_100000230085_100000047030 [0,2,0,0,0,0|2,0,0]=4 2280 B17R2.3426 CC(Sc1ccncc1N)c2ccccc2 62a_100000230085_100000756074 [0,2,0,0,0,0|2,0,0]=4 2281 B17R2.3426 CC(Sc1ccncc1N)c2ccccc2 62a_100000756074_100000230085 [0,2,0,0,0,0|2,0,0]=4 2282 B17R2.3426 CC(Sc1ccncc1O)c2ccccc2 62a_100000230085_100009817591 [0,2,0,0,0,0|2,0,0]=4 2283 B17R2.3426 CC(Sc1ccncc1O)c2ccccc2 62a_100009817591_100000230085 [0,2,0,0,0,0|2,0,0]=4 2284 B17R2.3426 Cc1cnccc1NC(C)c2ccncc2 27a_100000181269_100000765111 [0,2,0,0,0,0|2,0,0]=4 2285 B17R2.3426 Cc1cnccc1SC(C)c2ccccc2 62a_100000230085_100000765111 [0,2,0,0,0,0|2,0,0]=4 2286 B17R2.3426 Cc1cnccc1SC(C)c2ccccc2 62a_100000765111_100000230085 [0,2,0,0,0,0|2,0,0]=4 2287 B17R2.3933 Brc1cccc(c1CSc2ccncc2)I 62a_100000728582_100010146611 [0,2,0,0,0,0|2,0,0]=4 2288 B17R2.3933 Brc1cccc(c1CSc2ccncc2)I 62a_100010146611_100000728582 [0,2,0,0,0,0|2,0,0]=4 2289 B17R2.3933 Brc1cccc(c1SCc2ccncc2)Br 62a_100009994525_100015193705 [0,2,0,0,0,0|2,0,0]=4 2290 B17R2.3933 Brc1cccc(c1SCc2ccncc2)Br 62a_100015193705_100009994525 [0,2,0,0,0,0|2,0,0]=4 2291 B17R2.3933 Brc1cncc(c1SCc2ccccc2)Br 62a_100000211182_100010172828 [0,2,0,0,0,0|2,0,0]=4 2292 B17R2.3933 Brc1cncc(c1SCc2ccccc2)Br 62a_100010172828_100015291786 [0,2,0,0,0,0|2,0,0]=4 2293 B17R2.3933 Brc1cncc(c1SCc2ccncc2)Br 62a_100010172828_100015193705 [0,2,0,0,0,0|1,0,0]=3 2294 B17R2.3933 Brc1cncc(c1SCc2ccncc2)Br 62a_100015193705_100010172828 [0,2,0,0,0,0|1,0,0]=3 2295 B17R2.3933 Cc1cccc(c1CSc2ccncc2)Br 62a_100000728582_100010146847 [0,2,0,0,0,0|2,0,0]=4 2296 B17R2.3933 Cc1cccc(c1CSc2ccncc2)Br 62a_100010146847_100000728582 [0,2,0,0,0,0|2,0,0]=4 2297 B17R2.3933 Cc1cccc(c1CSc2ccncc2)C 62a_100000728582_100000758300 [0,2,0,0,0,0|2,0,0]=4 2298 B17R2.3933 Cc1cccc(c1CSc2ccncc2)C 62a_100000758300_100000728582 [0,2,0,0,0,0|2,0,0]=4 2299 B17R2.3933 Cc1cccc(c1CSc2ccncc2)F 62a_100000728582_100009814554 [0,2,0,0,0,0|2,0,0]=4 2300 B17R2.3933 Cc1cccc(c1CSc2ccncc2)F 62a_100009814554_100000728582 [0,2,0,0,0,0|2,0,0]=4 2301 B17R2.3933 Cc1cccc(c1CSc2ccncc2)I 62a_100000728582_100010150146 [0,2,0,0,0,0|2,0,0]=4 2302 B17R2.3933 Cc1cccc(c1CSc2ccncc2)I 62a_100010150146_100000728582 [0,2,0,0,0,0|2,0,0]=4 2303 B17R2.3933 Cc1cccc(c1SCc2ccncc2)Br 62a_100010141302_100015193705 [0,2,0,0,0,0|2,0,0]=4 2304 B17R2.3933 Cc1cccc(c1SCc2ccncc2)Br 62a_100015193705_100010141302 [0,2,0,0,0,0|2,0,0]=4 2305 B17R2.3933 Cc1cccc(c1SCc2ccncc2)C 62a_100000033847_100015193705 [0,2,0,0,0,0|2,0,0]=4 2306 B17R2.3933 Cc1cccc(c1SCc2ccncc2)C 62a_100015193705_100000033847 [0,2,0,0,0,0|2,0,0]=4 2307 B17R2.3933 Cc1cccc(c1SCc2ccncc2)Cl 62a_100000043165_100015193705 [0,2,0,0,0,0|2,0,0]=4 2308 B17R2.3933 Cc1cccc(c1SCc2ccncc2)Cl 62a_100015193705_100000043165 [0,2,0,0,0,0|2,0,0]=4 2309 B17R2.3933 Cc1cccc(c1SCc2ccncc2)F 62a_100011218421_100015193705 [0,2,0,0,0,0|2,0,0]=4 2310 B17R2.3933 Cc1cccc(c1SCc2ccncc2)F 62a_100015193705_100011218421 [0,2,0,0,0,0|2,0,0]=4 2311 B17R2.3933 Cc1cccc(c1SCc2ccncc2)N 62a_100000684715_100015193705 [0,2,0,0,0,0|2,0,0]=4 2312 B17R2.3933 Cc1cccc(c1SCc2ccncc2)N 62a_100015193705_100000684715 [0,2,0,0,0,0|2,0,0]=4 2313 B17R2.3933 Cc1cccc(c1SCc2ccncc2)O 62a_100000686692_100015193705 [0,2,0,0,0,0|2,0,0]=4 2314 B17R2.3933 Cc1cccc(c1SCc2ccncc2)O 62a_100015193705_100000686692 [0,2,0,0,0,0|2,0,0]=4 2315 B17R2.3933 Cc1cncc(c1SCc2ccccc2)C 62a_100000211182_100009817138 [0,2,0,0,0,0|2,0,0]=4 2316 B17R2.3933 Cc1cncc(c1SCc2ccccc2)C 62a_100009817138_100015291786 [0,2,0,0,0,0|2,0,0]=4 2317 B17R2.3933 Cc1cncc(c1SCc2ccncc2)C 62a_100009817138_100015193705 [0,2,0,0,0,0|1,0,0]=3 2318 B17R2.3933 Cc1cncc(c1SCc2ccncc2)C 62a_100015193705_100009817138 [0,2,0,0,0,0|1,0,0]=3 2319 B17R2.3933 Clc1cccc(c1CSc2ccncc2)Br 62a_100000728582_100010138402 [0,2,0,0,0,0|2,0,0]=4 2320 B17R2.3933 Clc1cccc(c1CSc2ccncc2)Br 62a_100010138402_100000728582 [0,2,0,0,0,0|2,0,0]=4 2321 B17R2.3933 Clc1cccc(c1CSc2ccncc2)Cl 62a_100000187851_100000728582 [0,2,0,0,0,0|2,0,0]=4 2322 B17R2.3933 Clc1cccc(c1CSc2ccncc2)Cl 62a_100000728582_100000187851 [0,2,0,0,0,0|2,0,0]=4 2323 B17R2.3933 Clc1cccc(c1SCc2ccncc2)Br 62a_100010214488_100015193705 [0,2,0,0,0,0|2,0,0]=4 2324 B17R2.3933 Clc1cccc(c1SCc2ccncc2)Br 62a_100015193705_100010214488 [0,2,0,0,0,0|2,0,0]=4 2325 B17R2.3933 Clc1cccc(c1SCc2ccncc2)Cl 62a_100000034237_100015193705 [0,2,0,0,0,0|2,0,0]=4 2326 B17R2.3933 Clc1cccc(c1SCc2ccncc2)Cl 62a_100015193705_100000034237 [0,2,0,0,0,0|2,0,0]=4 2327 B17R2.3933 Clc1cncc(c1COc2ccncc2)Cl 34a_100000212176_200009872113 [0,2,0,0,0,0|1,1,0]=4 2328 B17R2.3933 Clc1cncc(c1CSc2ccccc2)Cl 62a_100000719477_200009872113 [0,2,0,0,0,0|2,0,0]=4 2329 B17R2.3933 Clc1cncc(c1CSc2ccccc2)Cl 62a_200009872113_100000041952 [0,2,0,0,0,0|2,0,0]=4 2330 B17R2.3933 Clc1cncc(c1CSc2ccncc2)Cl 62a_100000728582_200009872113 [0,2,0,0,0,0|1,0,0]=3 2331 B17R2.3933 Clc1cncc(c1CSc2ccncc2)Cl 62a_200009872113_100000728582 [0,2,0,0,0,0|1,0,0]=3 2332 B17R2.3933 Clc1cncc(c1CSc2ccncn2)Cl 62a_100000703185_200009872113 [0,2,0,0,0,0|2,0,0]=4 2333 B17R2.3933 Clc1cncc(c1CSc2ccncn2)Cl 62a_200009872113_100000703185 [0,2,0,0,0,0|2,0,0]=4 2334 B17R2.3933 Clc1cncc(c1CSc2ccnnc2)Cl 62a_100000732662_200009872113 [0,2,0,0,0,0|2,0,0]=4 2335 B17R2.3933 Clc1cncc(c1CSc2ccnnc2)Cl 62a_200009872113_100000732662 [0,2,0,0,0,0|2,0,0]=4 2336 B17R2.3933 Clc1cncc(c1SCc2ccccc2)Cl 62a_100000036193_100015291786 [0,2,0,0,0,0|2,0,0]=4 2337 B17R2.3933 Clc1cncc(c1SCc2ccccc2)Cl 62a_100000211182_100000036193 [0,2,0,0,0,0|2,0,0]=4 2338 B17R2.3933 Clc1cncc(c1SCc2ccncc2)Cl 62a_100000036193_100015193705 [0,2,0,0,0,0|1,0,0]=3 2339 B17R2.3933 Clc1cncc(c1SCc2ccncc2)Cl 62a_100015193705_100000036193 [0,2,0,0,0,0|1,0,0]=3 2340 B17R2.3933 Fc1cccc(c1CSc2ccncc2)Br 62a_100000728582_100012145669 [0,2,0,0,0,0|2,0,0]=4 2341 B17R2.3933 Fc1cccc(c1CSc2ccncc2)Br 62a_100012145669_100000728582 [0,2,0,0,0,0|2,0,0]=4 2342 B17R2.3933 Fc1cccc(c1CSc2ccncc2)Cl 62a_100000187852_100000728582 [0,2,0,0,0,0|2,0,0]=4 2343 B17R2.3933 Fc1cccc(c1CSc2ccncc2)Cl 62a_100000728582_100000187852 [0,2,0,0,0,0|2,0,0]=4 2344 B17R2.3933 Fc1cccc(c1CSc2ccncc2)F 62a_100000709179_100000728582 [0,2,0,0,0,0|2,0,0]=4 2345 B17R2.3933 Fc1cccc(c1CSc2ccncc2)F 62a_100000728582_100000698325 [0,2,0,0,0,0|2,0,0]=4 2346 B17R2.3933 Fc1cccc(c1CSc2ccncc2)I 62a_100000728582_100010149602 [0,2,0,0,0,0|2,0,0]=4 2347 B17R2.3933 Fc1cccc(c1CSc2ccncc2)I 62a_100010149602_100000728582 [0,2,0,0,0,0|2,0,0]=4 2348 B17R2.3933 Fc1cccc(c1SCc2ccncc2)Br 62a_100011219512_100015193705 [0,2,0,0,0,0|2,0,0]=4 2349 B17R2.3933 Fc1cccc(c1SCc2ccncc2)Br 62a_100015193705_100011219512 [0,2,0,0,0,0|2,0,0]=4 2350 B17R2.3933 Fc1cccc(c1SCc2ccncc2)Cl 62a_100000050007_100015193705 [0,2,0,0,0,0|2,0,0]=4 2351 B17R2.3933 Fc1cccc(c1SCc2ccncc2)Cl 62a_100015193705_100000050007 [0,2,0,0,0,0|2,0,0]=4 2352 B17R2.3933 Fc1cccc(c1SCc2ccncc2)F 62a_100000693133_100015193705 [0,2,0,0,0,0|2,0,0]=4 2353 B17R2.3933 Fc1cccc(c1SCc2ccncc2)F 62a_100015193705_100000693133 [0,2,0,0,0,0|2,0,0]=4 2354 B17R2.3933 Fc1cncc(c1SCc2ccccc2)F 62a_100000211182_100000760538 [0,2,0,0,0,0|2,0,0]=4 2355 B17R2.3933 Fc1cncc(c1SCc2ccccc2)F 62a_100000760538_100015291786 [0,2,0,0,0,0|2,0,0]=4 2356 B17R2.3933 Fc1cncc(c1SCc2ccncc2)F 62a_100000760538_100015193705 [0,2,0,0,0,0|1,0,0]=3 2357 B17R2.3933 Fc1cncc(c1SCc2ccncc2)F 62a_100015193705_100000760538 [0,2,0,0,0,0|1,0,0]=3 2358 B17R2.3933 Nc1cccc(c1SCc2ccncc2)Br 62a_100015193705_100020590159 [0,2,0,0,0,0|2,0,0]=4 2359 B17R2.3933 Nc1cccc(c1SCc2ccncc2)Br 62a_100020590159_100015193705 [0,2,0,0,0,0|2,0,0]=4 2360 B17R2.3933 Nc1cccc(c1SCc2ccncc2)Cl 62a_100000049713_100015193705 [0,2,0,0,0,0|2,0,0]=4 2361 B17R2.3933 Nc1cccc(c1SCc2ccncc2)Cl 62a_100015193705_100000049713 [0,2,0,0,0,0|2,0,0]=4 2362 B17R2.3933 Nc1cccc(c1SCc2ccncc2)F 62a_100000690935_100015193705 [0,2,0,0,0,0|2,0,0]=4 2363 B17R2.3933 Nc1cccc(c1SCc2ccncc2)F 62a_100015193705_100000690935 [0,2,0,0,0,0|2,0,0]=4 2364 B17R2.3933 Nc1cccc(c1SCc2ccncc2)O 62a_100012183704_100015193705 [0,2,0,0,0,0|2,0,0]=4 2365 B17R2.3933 Nc1cccc(c1SCc2ccncc2)O 62a_100015193705_100012183704 [0,2,0,0,0,0|2,0,0]=4 2366 B17R2.3933 Nc1cn[nH]c(=O)c1SCc2ccncc2 62a_100015193705_100000687681 [0,2,0,0,0,0|2,0,0]=4 2367 B17R2.3933 O=c1[nH]ncc(c1SCc2ccncc2)O 62a_100015193705_100000116976 [0,2,0,0,0,0|2,0,0]=4 2368 B17R2.3933 Oc1cccc(c1SCc2ccncc2)Br 62a_100010187912_100015193705 [0,2,0,0,0,0|2,0,0]=4 2369 B17R2.3933 Oc1cccc(c1SCc2ccncc2)Br 62a_100015193705_100010187912 [0,2,0,0,0,0|2,0,0]=4 2370 B17R2.3933 Oc1cccc(c1SCc2ccncc2)Cl 62a_100015193705_100000050174 [0,2,0,0,0,0|2,0,0]=4 2371 B17R2.3933 Oc1cccc(c1SCc2ccncc2)F 62a_100009820682_100015193705 [0,2,0,0,0,0|2,0,0]=4 2372 B17R2.3933 Oc1cccc(c1SCc2ccncc2)F 62a_100015193705_100009820682 [0,2,0,0,0,0|2,0,0]=4 2373 B17R2.3933 Oc1cccc(c1SCc2ccncc2)O 62a_100015193705_100010205330 [0,2,0,0,0,0|2,0,0]=4 2374 B17R2.5121 Brc1ccccc1CSc2ccncc2Br 62a_100000184730_100000726257 [0,2,0,0,0,0|2,0,0]=4 2375 B17R2.5121 Brc1ccccc1CSc2ccncc2Br 62a_100000726257_100000184730 [0,2,0,0,0,0|2,0,0]=4 2376 B17R2.5121 Brc1cnccc1CNc2ccncc2Br 27a_100020640021_100000726257 [0,2,0,0,0,0|2,0,0]=4 2377 B17R2.5121 Brc1cnccc1SCc2ccccc2I 62a_100000726257_100011216222 [0,2,0,0,0,0|2,0,0]=4 2378 B17R2.5121 Brc1cnccc1SCc2ccccc2I 62a_100011216222_100000726257 [0,2,0,0,0,0|2,0,0]=4 2379 B17R2.5121 Cc1ccccc1CSc2ccncc2Br 62a_100000211839_100000726257 [0,2,0,0,0,0|2,0,0]=4 2380 B17R2.5121 Cc1ccccc1CSc2ccncc2Br 62a_100000726257_100000211839 [0,2,0,0,0,0|2,0,0]=4 2381 B17R2.5121 Cc1ccccc1CSc2ccncc2C 62a_100000211839_100000765111 [0,2,0,0,0,0|2,0,0]=4 2382 B17R2.5121 Cc1ccccc1CSc2ccncc2C 62a_100000765111_100000211839 [0,2,0,0,0,0|2,0,0]=4 2383 B17R2.5121 Cc1ccccc1CSc2ccncc2Cl 62a_100000211839_100000708259 [0,2,0,0,0,0|2,0,0]=4 2384 B17R2.5121 Cc1ccccc1CSc2ccncc2Cl 62a_100000708259_100000211839 [0,2,0,0,0,0|2,0,0]=4 2385 B17R2.5121 Cc1ccccc1CSc2ccncc2F 62a_100000047030_100000211839 [0,2,0,0,0,0|2,0,0]=4 2386 B17R2.5121 Cc1ccccc1CSc2ccncc2F 62a_100000211839_100000047030 [0,2,0,0,0,0|2,0,0]=4 2387 B17R2.5121 Cc1ccccc1CSc2ccncc2N 62a_100000211839_100000756074 [0,2,0,0,0,0|2,0,0]=4 2388 B17R2.5121 Cc1ccccc1CSc2ccncc2N 62a_100000756074_100000211839 [0,2,0,0,0,0|2,0,0]=4 2389 B17R2.5121 Cc1ccccc1CSc2ccncc2O 62a_100000211839_100009817591 [0,2,0,0,0,0|2,0,0]=4 2390 B17R2.5121 Cc1ccccc1CSc2ccncc2O 62a_100009817591_100000211839 [0,2,0,0,0,0|2,0,0]=4 2391 B17R2.5121 Cc1ccccc1SCc2ccncc2Cl 62a_100000210755_100000763264 [0,2,0,0,0,0|2,0,0]=4 2392 B17R2.5121 Cc1ccccc1SCc2ccncc2Cl 62a_100000763264_100000210755 [0,2,0,0,0,0|2,0,0]=4 2393 B17R2.5121 Cc1cnccc1CNc2ccncc2Br 27a_100000708811_100000726257 [0,2,0,0,0,0|2,0,0]=4 2394 B17R2.5121 Cc1cnccc1CNc2ccncc2C 27a_100000708811_100000765111 [0,2,0,0,0,0|2,0,0]=4 2395 B17R2.5121 Cc1cnccc1CNc2ccncc2F 27a_100000708811_100000035921 [0,2,0,0,0,0|2,0,0]=4 2396 B17R2.5121 Cc1cnccc1COc2ccncc2Br 34a_100011996408_100020672809 [0,2,0,0,0,0|1,1,0]=4 2397 B17R2.5121 Cc1cnccc1COc2ccncc2C 34a_100000694293_100020672809 [0,2,0,0,0,0|1,1,0]=4 2398 B17R2.5121 Cc1cnccc1COc2ccncc2Cl 34a_100011997054_100020672809 [0,2,0,0,0,0|1,1,0]=4 2399 B17R2.5121 Cc1cnccc1COc2ccncc2F 34a_200000081243_100020672809 [0,2,0,0,0,0|1,1,0]=4 2400 B17R2.5121 Cc1cnccc1CSc2ccccc2Br 62a_100000695589_100020672808 [0,2,0,0,0,0|2,0,0]=4 2401 B17R2.5121 Cc1cnccc1CSc2ccccc2Br 62a_100020672808_100000695589 [0,2,0,0,0,0|2,0,0]=4 2402 B17R2.5121 Cc1cnccc1CSc2ccccc2C 62a_100000210755_100020672808 [0,2,0,0,0,0|2,0,0]=4 2403 B17R2.5121 Cc1cnccc1CSc2ccccc2C 62a_100020672808_100000210755 [0,2,0,0,0,0|2,0,0]=4 2404 B17R2.5121 Cc1cnccc1CSc2ccccc2Cl 62a_100000764095_100020672808 [0,2,0,0,0,0|2,0,0]=4 2405 B17R2.5121 Cc1cnccc1CSc2ccccc2Cl 62a_100020672808_100000764095 [0,2,0,0,0,0|2,0,0]=4 2406 B17R2.5121 Cc1cnccc1CSc2ccccc2F 62a_100011215700_100020672808 [0,2,0,0,0,0|2,0,0]=4 2407 B17R2.5121 Cc1cnccc1CSc2ccccc2F 62a_100020672808_100011215700 [0,2,0,0,0,0|2,0,0]=4 2408 B17R2.5121 Cc1cnccc1CSc2ccccc2N 62a_100000210017_100020672808 [0,2,0,0,0,0|2,0,0]=4 2409 B17R2.5121 Cc1cnccc1CSc2ccccc2N 62a_100020672808_100000210017 [0,2,0,0,0,0|2,0,0]=4 2410 B17R2.5121 Cc1cnccc1CSc2ccccc2O 62a_100000739446_100020672808 [0,2,0,0,0,0|2,0,0]=4 2411 B17R2.5121 Cc1cnccc1CSc2ccccc2O 62a_100020672808_100000739446 [0,2,0,0,0,0|2,0,0]=4 2412 B17R2.5121 Cc1cnccc1CSc2ccn[nH]c2=O 62a_100020672808_100000087129 [0,2,0,0,0,0|2,0,0]=4 2413 B17R2.5121 Cc1cnccc1CSc2ccncc2Br 62a_100000726257_100020672808 [0,2,0,0,0,0|1,0,0]=3 2414 B17R2.5121 Cc1cnccc1CSc2ccncc2Br 62a_100020672808_100000726257 [0,2,0,0,0,0|1,0,0]=3 2415 B17R2.5121 Cc1cnccc1CSc2ccncc2C 62a_100000765111_100020672808 [0,2,0,0,0,0|1,0,0]=3 2416 B17R2.5121 Cc1cnccc1CSc2ccncc2C 62a_100020672808_100000765111 [0,2,0,0,0,0|1,0,0]=3 2417 B17R2.5121 Cc1cnccc1CSc2ccncc2Cl 62a_100000708259_100020672808 [0,2,0,0,0,0|1,0,0]=3 2418 B17R2.5121 Cc1cnccc1CSc2ccncc2Cl 62a_100020672808_100000708259 [0,2,0,0,0,0|1,0,0]=3 2419 B17R2.5121 Cc1cnccc1CSc2ccncc2F 62a_100000047030_100020672808 [0,2,0,0,0,0|1,0,0]=3 2420 B17R2.5121 Cc1cnccc1CSc2ccncc2F 62a_100020672808_100000047030 [0,2,0,0,0,0|1,0,0]=3 2421 B17R2.5121 Cc1cnccc1CSc2ccncc2N 62a_100000756074_100020672808 [0,2,0,0,0,0|1,0,0]=3 2422 B17R2.5121 Cc1cnccc1CSc2ccncc2N 62a_100020672808_100000756074 [0,2,0,0,0,0|1,0,0]=3 2423 B17R2.5121 Cc1cnccc1CSc2ccncc2O 62a_100009817591_100020672808 [0,2,0,0,0,0|1,0,0]=3 2424 B17R2.5121 Cc1cnccc1CSc2ccncc2O 62a_100020672808_100009817591 [0,2,0,0,0,0|1,0,0]=3 2425 B17R2.5121 Cc1cnccc1CSc2cnncc2N 62a_100009829405_100020672808 [0,2,0,0,0,0|2,0,0]=4 2426 B17R2.5121 Cc1cnccc1CSc2cnncc2N 62a_100020672808_100009829405 [0,2,0,0,0,0|2,0,0]=4 2427 B17R2.5121 Cc1cnccc1CSc2ncncc2C 62a_100011998708_100020672808 [0,2,0,0,0,0|2,0,0]=4 2428 B17R2.5121 Cc1cnccc1CSc2ncncc2C 62a_100020672808_100011998708 [0,2,0,0,0,0|2,0,0]=4 2429 B17R2.5121 Cc1cnccc1CSc2ncncc2F 62a_100000069762_100020672808 [0,2,0,0,0,0|2,0,0]=4 2430 B17R2.5121 Cc1cnccc1CSc2ncncc2F 62a_100020672808_100000069762 [0,2,0,0,0,0|2,0,0]=4 2431 B17R2.5121 Cc1cnccc1CSc2ncncc2N 62a_100000709731_100020672808 [0,2,0,0,0,0|2,0,0]=4 2432 B17R2.5121 Cc1cnccc1CSc2ncncc2N 62a_100020672808_100000709731 [0,2,0,0,0,0|2,0,0]=4 2433 B17R2.5121 Cc1cnccc1NCc2ccncc2Br 27a_100020640021_100000765111 [0,2,0,0,0,0|2,0,0]=4 2434 B17R2.5121 Cc1cnccc1NCc2ccncc2F 27a_100011935246_100000765111 [0,2,0,0,0,0|2,0,0]=4 2435 B17R2.5121 Cc1cnccc1SCc2ccccc2Br 62a_100000184730_100000765111 [0,2,0,0,0,0|2,0,0]=4 2436 B17R2.5121 Cc1cnccc1SCc2ccccc2Br 62a_100000765111_100000184730 [0,2,0,0,0,0|2,0,0]=4 2437 B17R2.5121 Cc1cnccc1SCc2ccccc2Cl 62a_100000187162_100000765111 [0,2,0,0,0,0|2,0,0]=4 2438 B17R2.5121 Cc1cnccc1SCc2ccccc2Cl 62a_100000765111_100000187162 [0,2,0,0,0,0|2,0,0]=4 2439 B17R2.5121 Cc1cnccc1SCc2ccccc2F 62a_100000211605_100000765111 [0,2,0,0,0,0|2,0,0]=4 2440 B17R2.5121 Cc1cnccc1SCc2ccccc2F 62a_100000765111_100000211605 [0,2,0,0,0,0|2,0,0]=4 2441 B17R2.5121 Cc1cnccc1SCc2ccccc2I 62a_100000765111_100011216222 [0,2,0,0,0,0|2,0,0]=4 2442 B17R2.5121 Cc1cnccc1SCc2ccccc2I 62a_100011216222_100000765111 [0,2,0,0,0,0|2,0,0]=4 2443 B17R2.5121 Cc1cnccc1SCc2ccncc2Cl 62a_100000763264_100000765111 [0,2,0,0,0,0|1,0,0]=3 2444 B17R2.5121 Cc1cnccc1SCc2ccncc2Cl 62a_100000765111_100000763264 [0,2,0,0,0,0|1,0,0]=3 2445 B17R2.5121 Cc1cncnc1SCc2ccncc2Cl 62a_100000763264_100011998708 [0,2,0,0,0,0|2,0,0]=4 2446 B17R2.5121 Cc1cncnc1SCc2ccncc2Cl 62a_100011998708_100000763264 [0,2,0,0,0,0|2,0,0]=4 2447 B17R2.5121 Clc1ccccc1CSc2ccncc2Br 62a_100000187162_100000726257 [0,2,0,0,0,0|2,0,0]=4 2448 B17R2.5121 Clc1ccccc1CSc2ccncc2Br 62a_100000726257_100000187162 [0,2,0,0,0,0|2,0,0]=4 2449 B17R2.5121 Clc1ccccc1CSc2ccncc2Cl 62a_100000187162_100000708259 [0,2,0,0,0,0|2,0,0]=4 2450 B17R2.5121 Clc1ccccc1CSc2ccncc2Cl 62a_100000708259_100000187162 [0,2,0,0,0,0|2,0,0]=4 2451 B17R2.5121 Clc1cnccc1CSc2ccccc2Br 62a_100000695589_100000763264 [0,2,0,0,0,0|2,0,0]=4 2452 B17R2.5121 Clc1cnccc1CSc2ccccc2Br 62a_100000763264_100000695589 [0,2,0,0,0,0|2,0,0]=4 2453 B17R2.5121 Clc1cnccc1CSc2ccccc2Cl 62a_100000763264_100000764095 [0,2,0,0,0,0|2,0,0]=4 2454 B17R2.5121 Clc1cnccc1CSc2ccccc2Cl 62a_100000764095_100000763264 [0,2,0,0,0,0|2,0,0]=4 2455 B17R2.5121 Clc1cnccc1CSc2ccncc2Br 62a_100000726257_100000763264 [0,2,0,0,0,0|1,0,0]=3 2456 B17R2.5121 Clc1cnccc1CSc2ccncc2Br 62a_100000763264_100000726257 [0,2,0,0,0,0|1,0,0]=3 2457 B17R2.5121 Clc1cnccc1CSc2ccncc2Cl 62a_100000708259_100000763264 [0,2,0,0,0,0|1,0,0]=3 2458 B17R2.5121 Clc1cnccc1CSc2ccncc2Cl 62a_100000763264_100000708259 [0,2,0,0,0,0|1,0,0]=3 2459 B17R2.5121 Clc1cnccc1SCc2ccccc2Br 62a_100000184730_100000708259 [0,2,0,0,0,0|2,0,0]=4 2460 B17R2.5121 Clc1cnccc1SCc2ccccc2Br 62a_100000708259_100000184730 [0,2,0,0,0,0|2,0,0]=4 2461 B17R2.5121 Clc1cnccc1SCc2ccccc2I 62a_100000708259_100011216222 [0,2,0,0,0,0|2,0,0]=4 2462 B17R2.5121 Clc1cnccc1SCc2ccccc2I 62a_100011216222_100000708259 [0,2,0,0,0,0|2,0,0]=4 2463 B17R2.5121 Fc1ccccc1CSc2ccncc2Br 62a_100000211605_100000726257 [0,2,0,0,0,0|2,0,0]=4 2464 B17R2.5121 Fc1ccccc1CSc2ccncc2Br 62a_100000726257_100000211605 [0,2,0,0,0,0|2,0,0]=4 2465 B17R2.5121 Fc1ccccc1CSc2ccncc2Cl 62a_100000211605_100000708259 [0,2,0,0,0,0|2,0,0]=4 2466 B17R2.5121 Fc1ccccc1CSc2ccncc2Cl 62a_100000708259_100000211605 [0,2,0,0,0,0|2,0,0]=4 2467 B17R2.5121 Fc1ccccc1CSc2ccncc2F 62a_100000047030_100000211605 [0,2,0,0,0,0|2,0,0]=4 2468 B17R2.5121 Fc1ccccc1CSc2ccncc2F 62a_100000211605_100000047030 [0,2,0,0,0,0|2,0,0]=4 2469 B17R2.5121 Fc1ccccc1SCc2ccncc2Cl 62a_100000763264_100011215700 [0,2,0,0,0,0|2,0,0]=4 2470 B17R2.5121 Fc1ccccc1SCc2ccncc2Cl 62a_100011215700_100000763264 [0,2,0,0,0,0|2,0,0]=4 2471 B17R2.5121 Fc1cnccc1CNc2ccncc2Br 27a_100011935246_100000726257 [0,2,0,0,0,0|2,0,0]=4 2472 B17R2.5121 Fc1cnccc1CNc2ccncc2F 27a_100011935246_100000035921 [0,2,0,0,0,0|2,0,0]=4 2473 B17R2.5121 Fc1cnccc1NCc2ccncc2Br 27a_100020640021_100000035921 [0,2,0,0,0,0|2,0,0]=4 2474 B17R2.5121 Fc1cnccc1SCc2ccccc2Br 62a_100000047030_100000184730 [0,2,0,0,0,0|2,0,0]=4 2475 B17R2.5121 Fc1cnccc1SCc2ccccc2Br 62a_100000184730_100000047030 [0,2,0,0,0,0|2,0,0]=4 2476 B17R2.5121 Fc1cnccc1SCc2ccccc2Cl 62a_100000047030_100000187162 [0,2,0,0,0,0|2,0,0]=4 2477 B17R2.5121 Fc1cnccc1SCc2ccccc2Cl 62a_100000187162_100000047030 [0,2,0,0,0,0|2,0,0]=4 2478 B17R2.5121 Fc1cnccc1SCc2ccccc2I 62a_100000047030_100011216222 [0,2,0,0,0,0|2,0,0]=4 2479 B17R2.5121 Fc1cnccc1SCc2ccccc2I 62a_100011216222_100000047030 [0,2,0,0,0,0|2,0,0]=4 2480 B17R2.5121 Fc1cnccc1SCc2ccncc2Cl 62a_100000047030_100000763264 [0,2,0,0,0,0|1,0,0]=3 2481 B17R2.5121 Fc1cnccc1SCc2ccncc2Cl 62a_100000763264_100000047030 [0,2,0,0,0,0|1,0,0]=3 2482 B17R2.5121 Fc1cncnc1SCc2ccncc2Cl 62a_100000069762_100000763264 [0,2,0,0,0,0|2,0,0]=4 2483 B17R2.5121 Fc1cncnc1SCc2ccncc2Cl 62a_100000763264_100000069762 [0,2,0,0,0,0|2,0,0]=4 2484 B17R2.5121 Nc1ccccc1SCc2ccncc2Cl 62a_100000210017_100000763264 [0,2,0,0,0,0|2,0,0]=4 2485 B17R2.5121 Nc1ccccc1SCc2ccncc2Cl 62a_100000763264_100000210017 [0,2,0,0,0,0|2,0,0]=4 2486 B17R2.5121 Nc1cnccc1SCc2ccccc2Br 62a_100000184730_100000756074 [0,2,0,0,0,0|2,0,0]=4 2487 B17R2.5121 Nc1cnccc1SCc2ccccc2Br 62a_100000756074_100000184730 [0,2,0,0,0,0|2,0,0]=4 2488 B17R2.5121 Nc1cnccc1SCc2ccccc2Cl 62a_100000187162_100000756074 [0,2,0,0,0,0|2,0,0]=4 2489 B17R2.5121 Nc1cnccc1SCc2ccccc2Cl 62a_100000756074_100000187162 [0,2,0,0,0,0|2,0,0]=4 2490 B17R2.5121 Nc1cnccc1SCc2ccccc2F 62a_100000211605_100000756074 [0,2,0,0,0,0|2,0,0]=4 2491 B17R2.5121 Nc1cnccc1SCc2ccccc2F 62a_100000756074_100000211605 [0,2,0,0,0,0|2,0,0]=4 2492 B17R2.5121 Nc1cnccc1SCc2ccccc2I 62a_100000756074_100011216222 [0,2,0,0,0,0|2,0,0]=4 2493 B17R2.5121 Nc1cnccc1SCc2ccccc2I 62a_100011216222_100000756074 [0,2,0,0,0,0|2,0,0]=4 2494 B17R2.5121 Nc1cnccc1SCc2ccncc2Cl 62a_100000756074_100000763264 [0,2,0,0,0,0|1,0,0]=3 2495 B17R2.5121 Nc1cnccc1SCc2ccncc2Cl 62a_100000763264_100000756074 [0,2,0,0,0,0|1,0,0]=3 2496 B17R2.5121 Nc1cncnc1SCc2ccncc2Cl 62a_100000709731_100000763264 [0,2,0,0,0,0|2,0,0]=4 2497 B17R2.5121 Nc1cncnc1SCc2ccncc2Cl 62a_100000763264_100000709731 [0,2,0,0,0,0|2,0,0]=4 2498 B17R2.5121 Nc1cnncc1SCc2ccncc2Cl 62a_100000763264_100009829405 [0,2,0,0,0,0|2,0,0]=4 2499 B17R2.5121 Nc1cnncc1SCc2ccncc2Cl 62a_100009829405_100000763264 [0,2,0,0,0,0|2,0,0]=4 2500 B17R2.5121 O=c1[nH]nccc1SCc2ccncc2Cl 62a_100000763264_100000087129 [0,2,0,0,0,0|2,0,0]=4 2501 B17R2.5121 Oc1ccccc1SCc2ccncc2Cl 62a_100000739446_100000763264 [0,2,0,0,0,0|2,0,0]=4 2502 B17R2.5121 Oc1ccccc1SCc2ccncc2Cl 62a_100000763264_100000739446 [0,2,0,0,0,0|2,0,0]=4 2503 B17R2.5121 Oc1cnccc1SCc2ccccc2Br 62a_100000184730_100009817591 [0,2,0,0,0,0|2,0,0]=4 2504 B17R2.5121 Oc1cnccc1SCc2ccccc2Br 62a_100009817591_100000184730 [0,2,0,0,0,0|2,0,0]=4 2505 B17R2.5121 Oc1cnccc1SCc2ccccc2Cl 62a_100000187162_100009817591 [0,2,0,0,0,0|2,0,0]=4 2506 B17R2.5121 Oc1cnccc1SCc2ccccc2Cl 62a_100009817591_100000187162 [0,2,0,0,0,0|2,0,0]=4 2507 B17R2.5121 Oc1cnccc1SCc2ccccc2F 62a_100000211605_100009817591 [0,2,0,0,0,0|2,0,0]=4 2508 B17R2.5121 Oc1cnccc1SCc2ccccc2F 62a_100009817591_100000211605 [0,2,0,0,0,0|2,0,0]=4 2509 B17R2.5121 Oc1cnccc1SCc2ccccc2I 62a_100009817591_100011216222 [0,2,0,0,0,0|2,0,0]=4 2510 B17R2.5121 Oc1cnccc1SCc2ccccc2I 62a_100011216222_100009817591 [0,2,0,0,0,0|2,0,0]=4 2511 B17R2.5121 Oc1cnccc1SCc2ccncc2Cl 62a_100000763264_100009817591 [0,2,0,0,0,0|1,0,0]=3 2512 B17R2.5121 Oc1cnccc1SCc2ccncc2Cl 62a_100009817591_100000763264 [0,2,0,0,0,0|1,0,0]=3 2513 B17R2.5274 Brc1c(cccc1CSc2ccncc2)I 62a_100000728582_100010254545 [0,2,0,0,0,0|2,0,0]=4 2514 B17R2.5274 Brc1c(cccc1CSc2ccncc2)I 62a_100010254545_100000728582 [0,2,0,0,0,0|2,0,0]=4 2515 B17R2.5274 Brc1cccc(c1Br)SCc2ccncc2 62a_100010175083_100015193705 [0,2,0,0,0,0|2,0,0]=4 2516 B17R2.5274 Brc1cccc(c1Br)SCc2ccncc2 62a_100015193705_100010175083 [0,2,0,0,0,0|2,0,0]=4 2517 B17R2.5274 Cc1c(cccc1CSc2ccncc2)Br 62a_100000694682_100000728582 [0,2,0,0,0,0|2,0,0]=4 2518 B17R2.5274 Cc1c(cccc1CSc2ccncc2)Br 62a_100000728582_100000694682 [0,2,0,0,0,0|2,0,0]=4 2519 B17R2.5274 Cc1c(cccc1CSc2ccncc2)Cl 62a_100000728582_100012186920 [0,2,0,0,0,0|2,0,0]=4 2520 B17R2.5274 Cc1c(cccc1CSc2ccncc2)Cl 62a_100012186920_100000728582 [0,2,0,0,0,0|2,0,0]=4 2521 B17R2.5274 Cc1c(cccc1CSc2ccncc2)F 62a_100000728582_100009813626 [0,2,0,0,0,0|2,0,0]=4 2522 B17R2.5274 Cc1c(cccc1CSc2ccncc2)F 62a_100009813626_100000728582 [0,2,0,0,0,0|2,0,0]=4 2523 B17R2.5274 Cc1c(cccc1CSc2ccncc2)I 62a_100000728582_100010150147 [0,2,0,0,0,0|2,0,0]=4 2524 B17R2.5274 Cc1c(cccc1CSc2ccncc2)I 62a_100010150147_100000728582 [0,2,0,0,0,0|2,0,0]=4 2525 B17R2.5274 Cc1c(cccc1SCc2ccncc2)Br 62a_100012353703_100015193705 [0,2,0,0,0,0|2,0,0]=4 2526 B17R2.5274 Cc1c(cccc1SCc2ccncc2)Br 62a_100015193705_100012353703 [0,2,0,0,0,0|2,0,0]=4 2527 B17R2.5274 Cc1c(cccc1SCc2ccncc2)Cl 62a_100000726075_100015193705 [0,2,0,0,0,0|2,0,0]=4 2528 B17R2.5274 Cc1c(cccc1SCc2ccncc2)Cl 62a_100015193705_100000726075 [0,2,0,0,0,0|2,0,0]=4 2529 B17R2.5274 Cc1c(cccc1SCc2ccncc2)F 62a_100011216893_100015193705 [0,2,0,0,0,0|2,0,0]=4 2530 B17R2.5274 Cc1c(cccc1SCc2ccncc2)F 62a_100015193705_100011216893 [0,2,0,0,0,0|2,0,0]=4 2531 B17R2.5274 Cc1c(cccc1SCc2ccncc2)N 62a_100000761887_100015193705 [0,2,0,0,0,0|2,0,0]=4 2532 B17R2.5274 Cc1c(cccc1SCc2ccncc2)N 62a_100015193705_100000761887 [0,2,0,0,0,0|2,0,0]=4 2533 B17R2.5274 Cc1c(cccc1SCc2ccncc2)O 62a_100012002258_100015193705 [0,2,0,0,0,0|2,0,0]=4 2534 B17R2.5274 Cc1c(cccc1SCc2ccncc2)O 62a_100015193705_100012002258 [0,2,0,0,0,0|2,0,0]=4 2535 B17R2.5274 Cc1c(ccnc1Cl)SCc2ccccc2 62a_100000047055_100015291786 [0,2,0,0,0,0|2,0,0]=4 2536 B17R2.5274 Cc1c(ccnc1Cl)SCc2ccccc2 62a_100000211182_100000047055 [0,2,0,0,0,0|2,0,0]=4 2537 B17R2.5274 Cc1c(ccnc1Cl)SCc2ccncc2 62a_100000047055_100015193705 [0,2,0,0,0,0|1,0,0]=3 2538 B17R2.5274 Cc1c(ccnc1Cl)SCc2ccncc2 62a_100015193705_100000047055 [0,2,0,0,0,0|1,0,0]=3 2539 B17R2.5274 Cc1c(ccnc1F)NCc2ccncc2 27a_100000210450_100010006593 [0,2,0,0,0,0|2,0,0]=4 2540 B17R2.5274 Cc1c(ccnc1F)SCc2ccccc2 62a_100000211182_100010006593 [0,2,0,0,0,0|2,0,0]=4 2541 B17R2.5274 Cc1c(ccnc1F)SCc2ccccc2 62a_100010006593_100015291786 [0,2,0,0,0,0|2,0,0]=4 2542 B17R2.5274 Cc1c(ccnc1F)SCc2ccncc2 62a_100010006593_100015193705 [0,2,0,0,0,0|1,0,0]=3 2543 B17R2.5274 Cc1c(ccnc1F)SCc2ccncc2 62a_100015193705_100010006593 [0,2,0,0,0,0|1,0,0]=3 2544 B17R2.5274 Cc1c(ccnc1N)SCc2ccccc2 62a_100000211182_100009865460 [0,2,0,0,0,0|2,0,0]=4 2545 B17R2.5274 Cc1c(ccnc1N)SCc2ccccc2 62a_100009865460_100015291786 [0,2,0,0,0,0|2,0,0]=4 2546 B17R2.5274 Cc1c(ccnc1N)SCc2ccncc2 62a_100009865460_100015193705 [0,2,0,0,0,0|1,0,0]=3 2547 B17R2.5274 Cc1c(ccnc1N)SCc2ccncc2 62a_100015193705_100009865460 [0,2,0,0,0,0|1,0,0]=3 2548 B17R2.5274 Cc1c(ccnc1O)SCc2ccccc2 62a_100000211182_100009858498 [0,2,0,0,0,0|2,0,0]=4 2549 B17R2.5274 Cc1c(ccnc1O)SCc2ccccc2 62a_100009858498_100015291786 [0,2,0,0,0,0|2,0,0]=4 2550 B17R2.5274 Cc1c(ccnc1O)SCc2ccncc2 62a_100009858498_100015193705 [0,2,0,0,0,0|1,0,0]=3 2551 B17R2.5274 Cc1c(ccnc1O)SCc2ccncc2 62a_100015193705_100009858498 [0,2,0,0,0,0|1,0,0]=3 2552 B17R2.5274 Cc1c(cnnc1N)SCc2ccncc2 62a_100015193705_200011012967 [0,2,0,0,0,0|2,0,0]=4 2553 B17R2.5274 Cc1c(cnnc1N)SCc2ccncc2 62a_200011012967_100015193705 [0,2,0,0,0,0|2,0,0]=4 2554 B17R2.5274 Cc1c(ncnc1SCc2ccncc2)N 62a_100011913465_100015193705 [0,2,0,0,0,0|2,0,0]=4 2555 B17R2.5274 Cc1c(ncnc1SCc2ccncc2)N 62a_100015193705_100011913465 [0,2,0,0,0,0|2,0,0]=4 2556 B17R2.5274 Cc1c(ncnc1SCc2ccncc2)O 62a_100015193705_100011912821 [0,2,0,0,0,0|2,0,0]=4 2557 B17R2.5274 Cc1cccc(c1Br)CSc2ccncc2 62a_100000728582_200012349612 [0,2,0,0,0,0|2,0,0]=4 2558 B17R2.5274 Cc1cccc(c1Br)CSc2ccncc2 62a_200012349612_100000728582 [0,2,0,0,0,0|2,0,0]=4 2559 B17R2.5274 Cc1cccc(c1Br)SCc2ccncc2 62a_100012362457_100015193705 [0,2,0,0,0,0|2,0,0]=4 2560 B17R2.5274 Cc1cccc(c1Br)SCc2ccncc2 62a_100015193705_100012362457 [0,2,0,0,0,0|2,0,0]=4 2561 B17R2.5274 Cc1cccc(c1C)CSc2ccncc2 62a_100000728582_100011515928 [0,2,0,0,0,0|2,0,0]=4 2562 B17R2.5274 Cc1cccc(c1C)CSc2ccncc2 62a_100011515928_100000728582 [0,2,0,0,0,0|2,0,0]=4 2563 B17R2.5274 Cc1cccc(c1C)SCc2ccncc2 62a_100011214922_100015193705 [0,2,0,0,0,0|2,0,0]=4 2564 B17R2.5274 Cc1cccc(c1C)SCc2ccncc2 62a_100015193705_100011214922 [0,2,0,0,0,0|2,0,0]=4 2565 B17R2.5274 Cc1cccc(c1Cl)SCc2ccncc2 62a_100015193705_200012352035 [0,2,0,0,0,0|2,0,0]=4 2566 B17R2.5274 Cc1cccc(c1Cl)SCc2ccncc2 62a_200012352035_100015193705 [0,2,0,0,0,0|2,0,0]=4 2567 B17R2.5274 Cc1cccc(c1F)CSc2ccncc2 62a_100000728582_100011216058 [0,2,0,0,0,0|2,0,0]=4 2568 B17R2.5274 Cc1cccc(c1F)CSc2ccncc2 62a_100011216058_100000728582 [0,2,0,0,0,0|2,0,0]=4 2569 B17R2.5274 Cc1cccc(c1F)SCc2ccncc2 62a_100000717567_100015193705 [0,2,0,0,0,0|2,0,0]=4 2570 B17R2.5274 Cc1cccc(c1F)SCc2ccncc2 62a_100015193705_100000717567 [0,2,0,0,0,0|2,0,0]=4 2571 B17R2.5274 Cc1cccc(c1N)SCc2ccncc2 62a_100011834072_100015193705 [0,2,0,0,0,0|2,0,0]=4 2572 B17R2.5274 Cc1cccc(c1N)SCc2ccncc2 62a_100015193705_100011834072 [0,2,0,0,0,0|2,0,0]=4 2573 B17R2.5274 Cc1cccc(c1O)SCc2ccncc2 62a_100009817157_100015193705 [0,2,0,0,0,0|2,0,0]=4 2574 B17R2.5274 Cc1cccc(c1O)SCc2ccncc2 62a_100015193705_100009817157 [0,2,0,0,0,0|2,0,0]=4 2575 B17R2.5274 Cc1nccc(c1C)SCc2ccccc2 62a_100000211182_100009846815 [0,2,0,0,0,0|2,0,0]=4 2576 B17R2.5274 Cc1nccc(c1C)SCc2ccccc2 62a_100009846815_100015291786 [0,2,0,0,0,0|2,0,0]=4 2577 B17R2.5274 Cc1nccc(c1C)SCc2ccncc2 62a_100009846815_100015193705 [0,2,0,0,0,0|1,0,0]=3 2578 B17R2.5274 Cc1nccc(c1C)SCc2ccncc2 62a_100015193705_100009846815 [0,2,0,0,0,0|1,0,0]=3 2579 B17R2.5274 Cc1nccc(c1Cl)NCc2ccncc2 27a_100000210450_100000698670 [0,2,0,0,0,0|2,0,0]=4 2580 B17R2.5274 Cc1nccc(c1Cl)SCc2ccccc2 62a_100000211182_100000698670 [0,2,0,0,0,0|2,0,0]=4 2581 B17R2.5274 Cc1nccc(c1Cl)SCc2ccccc2 62a_100000698670_100015291786 [0,2,0,0,0,0|2,0,0]=4 2582 B17R2.5274 Cc1nccc(c1Cl)SCc2ccncc2 62a_100000698670_100015193705 [0,2,0,0,0,0|1,0,0]=3 2583 B17R2.5274 Cc1nccc(c1Cl)SCc2ccncc2 62a_100015193705_100000698670 [0,2,0,0,0,0|1,0,0]=3 2584 B17R2.5274 Cc1nccc(c1F)NCc2ccncc2 27a_100000210450_100009849794 [0,2,0,0,0,0|2,0,0]=4 2585 B17R2.5274 Cc1nccc(c1F)SCc2ccccc2 62a_100000211182_100009849794 [0,2,0,0,0,0|2,0,0]=4 2586 B17R2.5274 Cc1nccc(c1F)SCc2ccccc2 62a_100009849794_100015291786 [0,2,0,0,0,0|2,0,0]=4 2587 B17R2.5274 Cc1nccc(c1F)SCc2ccncc2 62a_100009849794_100015193705 [0,2,0,0,0,0|1,0,0]=3 2588 B17R2.5274 Cc1nccc(c1F)SCc2ccncc2 62a_100015193705_100009849794 [0,2,0,0,0,0|1,0,0]=3 2589 B17R2.5274 Cc1nccc(c1N)SCc2ccccc2 62a_100000211182_100009885578 [0,2,0,0,0,0|2,0,0]=4 2590 B17R2.5274 Cc1nccc(c1N)SCc2ccccc2 62a_100009885578_100015291786 [0,2,0,0,0,0|2,0,0]=4 2591 B17R2.5274 Cc1nccc(c1N)SCc2ccncc2 62a_100009885578_100015193705 [0,2,0,0,0,0|1,0,0]=3 2592 B17R2.5274 Cc1nccc(c1N)SCc2ccncc2 62a_100015193705_100009885578 [0,2,0,0,0,0|1,0,0]=3 2593 B17R2.5274 Cc1ncnc(c1C)SCc2ccncc2 62a_100011438038_100015193705 [0,2,0,0,0,0|2,0,0]=4 2594 B17R2.5274 Cc1ncnc(c1C)SCc2ccncc2 62a_100015193705_100011438038 [0,2,0,0,0,0|2,0,0]=4 2595 B17R2.5274 Cc1ncnc(c1F)SCc2ccncc2 62a_100011671633_100015193705 [0,2,0,0,0,0|2,0,0]=4 2596 B17R2.5274 Cc1ncnc(c1F)SCc2ccncc2 62a_100015193705_100011671633 [0,2,0,0,0,0|2,0,0]=4 2597 B17R2.5274 Clc1c(cccc1CSc2ccncc2)Br 62a_100000728582_100012349491 [0,2,0,0,0,0|2,0,0]=4 2598 B17R2.5274 Clc1c(cccc1CSc2ccncc2)Br 62a_100012349491_100000728582 [0,2,0,0,0,0|2,0,0]=4 2599 B17R2.5274 Clc1c(cccc1SCc2ccncc2)Br 62a_100010142854_100015193705 [0,2,0,0,0,0|2,0,0]=4 2600 B17R2.5274 Clc1c(cccc1SCc2ccncc2)Br 62a_100015193705_100010142854 [0,2,0,0,0,0|2,0,0]=4 2601 B17R2.5274 Clc1cccc(c1Br)CSc2ccncc2 62a_100000728582_100010145525 [0,2,0,0,0,0|2,0,0]=4 2602 B17R2.5274 Clc1cccc(c1Br)CSc2ccncc2 62a_100010145525_100000728582 [0,2,0,0,0,0|2,0,0]=4 2603 B17R2.5274 Clc1cccc(c1Br)SCc2ccncc2 62a_100014021842_100015193705 [0,2,0,0,0,0|2,0,0]=4 2604 B17R2.5274 Clc1cccc(c1Br)SCc2ccncc2 62a_100015193705_100014021842 [0,2,0,0,0,0|2,0,0]=4 2605 B17R2.5274 Clc1cccc(c1Cl)CSc2ccncc2 62a_100000720918_100000728582 [0,2,0,0,0,0|2,0,0]=4 2606 B17R2.5274 Clc1cccc(c1Cl)CSc2ccncc2 62a_100000728582_100000723366 [0,2,0,0,0,0|2,0,0]=4 2607 B17R2.5274 Clc1cccc(c1Cl)SCc2ccncc2 62a_100011215384_100015193705 [0,2,0,0,0,0|2,0,0]=4 2608 B17R2.5274 Clc1cccc(c1Cl)SCc2ccncc2 62a_100015193705_100011215384 [0,2,0,0,0,0|2,0,0]=4 2609 B17R2.5274 Clc1nccc(c1Cl)SCc2ccccc2 62a_100000211182_100010246212 [0,2,0,0,0,0|2,0,0]=4 2610 B17R2.5274 Clc1nccc(c1Cl)SCc2ccccc2 62a_100010246212_100015291786 [0,2,0,0,0,0|2,0,0]=4 2611 B17R2.5274 Clc1nccc(c1Cl)SCc2ccncc2 62a_100010246212_100015193705 [0,2,0,0,0,0|1,0,0]=3 2612 B17R2.5274 Clc1nccc(c1Cl)SCc2ccncc2 62a_100015193705_100010246212 [0,2,0,0,0,0|1,0,0]=3 2613 B17R2.5274 Fc1c(cccc1CSc2ccncc2)Br 62a_100000728582_100012356506 [0,2,0,0,0,0|2,0,0]=4 2614 B17R2.5274 Fc1c(cccc1CSc2ccncc2)Br 62a_100012356506_100000728582 [0,2,0,0,0,0|2,0,0]=4 2615 B17R2.5274 Fc1c(cccc1CSc2ccncc2)Cl 62a_100000716733_100000728582 [0,2,0,0,0,0|2,0,0]=4 2616 B17R2.5274 Fc1c(cccc1CSc2ccncc2)Cl 62a_100000728582_100000716733 [0,2,0,0,0,0|2,0,0]=4 2617 B17R2.5274 Fc1c(cccc1SCc2ccncc2)Br 62a_100000702267_100015193705 [0,2,0,0,0,0|2,0,0]=4 2618 B17R2.5274 Fc1c(cccc1SCc2ccncc2)Br 62a_100015193705_100000702267 [0,2,0,0,0,0|2,0,0]=4 2619 B17R2.5274 Fc1c(cccc1SCc2ccncc2)Cl 62a_100011217346_100015193705 [0,2,0,0,0,0|2,0,0]=4 2620 B17R2.5274 Fc1c(cccc1SCc2ccncc2)Cl 62a_100015193705_100011217346 [0,2,0,0,0,0|2,0,0]=4 2621 B17R2.5274 Fc1c(ccnc1Br)SCc2ccccc2 62a_100000211182_200015269031 [0,2,0,0,0,0|2,0,0]=4 2622 B17R2.5274 Fc1c(ccnc1Br)SCc2ccccc2 62a_200015269031_100015291786 [0,2,0,0,0,0|2,0,0]=4 2623 B17R2.5274 Fc1c(ccnc1Br)SCc2ccncc2 62a_100015193705_200015269031 [0,2,0,0,0,0|1,0,0]=3 2624 B17R2.5274 Fc1c(ccnc1Br)SCc2ccncc2 62a_200015269031_100015193705 [0,2,0,0,0,0|1,0,0]=3 2625 B17R2.5274 Fc1c(ccnc1Cl)SCc2ccccc2 62a_100000211182_100010150473 [0,2,0,0,0,0|2,0,0]=4 2626 B17R2.5274 Fc1c(ccnc1Cl)SCc2ccccc2 62a_100010150473_100015291786 [0,2,0,0,0,0|2,0,0]=4 2627 B17R2.5274 Fc1c(ccnc1Cl)SCc2ccncc2 62a_100010150473_100015193705 [0,2,0,0,0,0|1,0,0]=3 2628 B17R2.5274 Fc1c(ccnc1Cl)SCc2ccncc2 62a_100015193705_100010150473 [0,2,0,0,0,0|1,0,0]=3 2629 B17R2.5274 Fc1cccc(c1Br)CSc2ccncc2 62a_100000728582_100012351116 [0,2,0,0,0,0|2,0,0]=4 2630 B17R2.5274 Fc1cccc(c1Br)CSc2ccncc2 62a_100012351116_100000728582 [0,2,0,0,0,0|2,0,0]=4 2631 B17R2.5274 Fc1cccc(c1Br)SCc2ccncc2 62a_100010202630_100015193705 [0,2,0,0,0,0|2,0,0]=4 2632 B17R2.5274 Fc1cccc(c1Br)SCc2ccncc2 62a_100015193705_100010202630 [0,2,0,0,0,0|2,0,0]=4 2633 B17R2.5274 Fc1cccc(c1Cl)CSc2ccncc2 62a_100000696688_100000728582 [0,2,0,0,0,0|2,0,0]=4 2634 B17R2.5274 Fc1cccc(c1Cl)CSc2ccncc2 62a_100000728582_100000696688 [0,2,0,0,0,0|2,0,0]=4 2635 B17R2.5274 Fc1cccc(c1Cl)SCc2ccncc2 62a_100015193705_200010234923 [0,2,0,0,0,0|2,0,0]=4 2636 B17R2.5274 Fc1cccc(c1Cl)SCc2ccncc2 62a_200010234923_100015193705 [0,2,0,0,0,0|2,0,0]=4 2637 B17R2.5274 Fc1cccc(c1F)CSc2ccncc2 62a_100000217499_100000728582 [0,2,0,0,0,0|2,0,0]=4 2638 B17R2.5274 Fc1cccc(c1F)CSc2ccncc2 62a_100000728582_100000217499 [0,2,0,0,0,0|2,0,0]=4 2639 B17R2.5274 Fc1cccc(c1F)SCc2ccncc2 62a_100000694657_100015193705 [0,2,0,0,0,0|2,0,0]=4 2640 B17R2.5274 Fc1cccc(c1F)SCc2ccncc2 62a_100015193705_100000694657 [0,2,0,0,0,0|2,0,0]=4 2641 B17R2.5274 Fc1cccc(c1I)CSc2ccncc2 62a_100000728582_100010149603 [0,2,0,0,0,0|2,0,0]=4 2642 B17R2.5274 Fc1cccc(c1I)CSc2ccncc2 62a_100010149603_100000728582 [0,2,0,0,0,0|2,0,0]=4 2643 B17R2.5274 Fc1nccc(c1Br)NCc2ccncc2 27a_100000210450_100010006599 [0,2,0,0,0,0|2,0,0]=4 2644 B17R2.5274 Fc1nccc(c1Br)SCc2ccccc2 62a_100000211182_100010006599 [0,2,0,0,0,0|2,0,0]=4 2645 B17R2.5274 Fc1nccc(c1Br)SCc2ccccc2 62a_100010006599_100015291786 [0,2,0,0,0,0|2,0,0]=4 2646 B17R2.5274 Fc1nccc(c1Br)SCc2ccncc2 62a_100010006599_100015193705 [0,2,0,0,0,0|1,0,0]=3 2647 B17R2.5274 Fc1nccc(c1Br)SCc2ccncc2 62a_100015193705_100010006599 [0,2,0,0,0,0|1,0,0]=3 2648 B17R2.5274 Fc1nccc(c1Cl)NCc2ccncc2 27a_100000210450_100010067886 [0,2,0,0,0,0|2,0,0]=4 2649 B17R2.5274 Fc1nccc(c1Cl)SCc2ccccc2 62a_100000211182_100010067886 [0,2,0,0,0,0|2,0,0]=4 2650 B17R2.5274 Fc1nccc(c1Cl)SCc2ccccc2 62a_100010067886_100015291786 [0,2,0,0,0,0|2,0,0]=4 2651 B17R2.5274 Fc1nccc(c1Cl)SCc2ccncc2 62a_100010067886_100015193705 [0,2,0,0,0,0|1,0,0]=3 2652 B17R2.5274 Fc1nccc(c1Cl)SCc2ccncc2 62a_100015193705_100010067886 [0,2,0,0,0,0|1,0,0]=3 2653 B17R2.5274 Fc1nccc(c1F)NCc2ccncc2 27a_100000210450_100010214882 [0,2,0,0,0,0|2,0,0]=4 2654 B17R2.5274 Fc1nccc(c1F)SCc2ccccc2 62a_100000211182_100010214882 [0,2,0,0,0,0|2,0,0]=4 2655 B17R2.5274 Fc1nccc(c1F)SCc2ccccc2 62a_100010214882_100015291786 [0,2,0,0,0,0|2,0,0]=4 2656 B17R2.5274 Fc1nccc(c1F)SCc2ccncc2 62a_100010214882_100015193705 [0,2,0,0,0,0|1,0,0]=3 2657 B17R2.5274 Fc1nccc(c1F)SCc2ccncc2 62a_100015193705_100010214882 [0,2,0,0,0,0|1,0,0]=3 2658 B17R2.5274 Nc1c(cccc1SCc2ccncc2)Br 62a_100010146558_100015193705 [0,2,0,0,0,0|2,0,0]=4 2659 B17R2.5274 Nc1c(cccc1SCc2ccncc2)Br 62a_100015193705_100010146558 [0,2,0,0,0,0|2,0,0]=4 2660 B17R2.5274 Nc1c(cccc1SCc2ccncc2)Cl 62a_100010190421_100015193705 [0,2,0,0,0,0|2,0,0]=4 2661 B17R2.5274 Nc1c(cccc1SCc2ccncc2)Cl 62a_100015193705_100010190421 [0,2,0,0,0,0|2,0,0]=4 2662 B17R2.5274 Nc1c(cccc1SCc2ccncc2)F 62a_100000042321_100015193705 [0,2,0,0,0,0|2,0,0]=4 2663 B17R2.5274 Nc1c(cccc1SCc2ccncc2)F 62a_100015193705_100000042321 [0,2,0,0,0,0|2,0,0]=4 2664 B17R2.5274 Nc1c(cccc1SCc2ccncc2)O 62a_100015193705_100011934926 [0,2,0,0,0,0|2,0,0]=4 2665 B17R2.5274 Nc1c(ncnc1SCc2ccncc2)O 62a_100015193705_100011795086 [0,2,0,0,0,0|2,0,0]=4 2666 B17R2.5274 Nc1cccc(c1F)SCc2ccncc2 62a_100011935091_100015193705 [0,2,0,0,0,0|2,0,0]=4 2667 B17R2.5274 Nc1cccc(c1F)SCc2ccncc2 62a_100015193705_100011935091 [0,2,0,0,0,0|2,0,0]=4 2668 B17R2.5274 Nc1cccc(c1N)SCc2ccncc2 62a_100015191791_100015193705 [0,2,0,0,0,0|2,0,0]=4 2669 B17R2.5274 Nc1cccc(c1O)SCc2ccncc2 62a_100011934915_100015193705 [0,2,0,0,0,0|2,0,0]=4 2670 B17R2.5274 Nc1cccc(c1O)SCc2ccncc2 62a_100015193705_100010084371 [0,2,0,0,0,0|2,0,0]=4 2671 B17R2.5274 Nc1nccc(c1Cl)SCc2ccccc2 62a_100000211182_100010735111 [0,2,0,0,0,0|2,0,0]=4 2672 B17R2.5274 Nc1nccc(c1Cl)SCc2ccccc2 62a_100010735111_100015291786 [0,2,0,0,0,0|2,0,0]=4 2673 B17R2.5274 Nc1nccc(c1Cl)SCc2ccncc2 62a_100010735111_100015193705 [0,2,0,0,0,0|1,0,0]=3 2674 B17R2.5274 Nc1nccc(c1Cl)SCc2ccncc2 62a_100015193705_100010735111 [0,2,0,0,0,0|1,0,0]=3 2675 B17R2.5274 Nc1nccc(c1F)SCc2ccccc2 62a_100000211182_100010077785 [0,2,0,0,0,0|2,0,0]=4 2676 B17R2.5274 Nc1nccc(c1F)SCc2ccccc2 62a_100010077785_100015291786 [0,2,0,0,0,0|2,0,0]=4 2677 B17R2.5274 Nc1nccc(c1F)SCc2ccncc2 62a_100010077785_100015193705 [0,2,0,0,0,0|1,0,0]=3 2678 B17R2.5274 Nc1nccc(c1F)SCc2ccncc2 62a_100015193705_100010077785 [0,2,0,0,0,0|1,0,0]=3 2679 B17R2.5274 Nc1nccc(c1N)SCc2ccccc2 62a_100000124095_100015291786 [0,2,0,0,0,0|2,0,0]=4 2680 B17R2.5274 Nc1nccc(c1N)SCc2ccncc2 62a_100000124095_100015193705 [0,2,0,0,0,0|1,0,0]=3 2681 B17R2.5274 Nc1ncnc(c1F)SCc2ccncc2 62a_100000126652_100015193705 [0,2,0,0,0,0|2,0,0]=4 2682 B17R2.5274 Nc1ncnc(c1F)SCc2ccncc2 62a_100015193705_100000126652 [0,2,0,0,0,0|2,0,0]=4 2683 B17R2.5274 Nc1ncnc(c1N)SCc2ccncc2 62a_100000766367_100015193705 [0,2,0,0,0,0|2,0,0]=4 2684 B17R2.5274 Nc1ncnc(c1N)SCc2ccncc2 62a_100015193705_100000766367 [0,2,0,0,0,0|2,0,0]=4 2685 B17R2.5274 Nc1ncnc(c1O)SCc2ccncc2 62a_100015193705_100000124137 [0,2,0,0,0,0|2,0,0]=4 2686 B17R2.5274 Oc1c(cccc1SCc2ccncc2)Br 62a_100010084509_100015193705 [0,2,0,0,0,0|2,0,0]=4 2687 B17R2.5274 Oc1c(cccc1SCc2ccncc2)Br 62a_100015193705_100010084509 [0,2,0,0,0,0|2,0,0]=4 2688 B17R2.5274 Oc1c(cccc1SCc2ccncc2)Cl 62a_100010202889_100015193705 [0,2,0,0,0,0|2,0,0]=4 2689 B17R2.5274 Oc1c(cccc1SCc2ccncc2)Cl 62a_100015193705_100010202889 [0,2,0,0,0,0|2,0,0]=4 2690 B17R2.5274 Oc1c(cccc1SCc2ccncc2)F 62a_100009813666_100015193705 [0,2,0,0,0,0|2,0,0]=4 2691 B17R2.5274 Oc1c(cccc1SCc2ccncc2)F 62a_100015193705_100009813666 [0,2,0,0,0,0|2,0,0]=4 2692 B17R2.5274 Oc1c(ccnc1Cl)SCc2ccccc2 62a_100000211182_100010067911 [0,2,0,0,0,0|2,0,0]=4 2693 B17R2.5274 Oc1c(ccnc1Cl)SCc2ccncc2 62a_100015193705_100010067911 [0,2,0,0,0,0|1,0,0]=3 2694 B17R2.5274 Oc1cccc(c1Br)SCc2ccncc2 62a_100010187914_100015193705 [0,2,0,0,0,0|2,0,0]=4 2695 B17R2.5274 Oc1cccc(c1Br)SCc2ccncc2 62a_100015193705_100010187914 [0,2,0,0,0,0|2,0,0]=4 2696 B17R2.5274 Oc1cccc(c1Cl)SCc2ccncc2 62a_100015193705_100000049636 [0,2,0,0,0,0|2,0,0]=4 2697 B17R2.5274 Oc1cccc(c1F)SCc2ccncc2 62a_100009817021_100015193705 [0,2,0,0,0,0|2,0,0]=4 2698 B17R2.5274 Oc1cccc(c1F)SCc2ccncc2 62a_100015193705_100009817021 [0,2,0,0,0,0|2,0,0]=4 2699 B17R2.5274 Oc1cccc(c1O)SCc2ccncc2 62a_100015193705_100009815950 [0,2,0,0,0,0|2,0,0]=4 2700 B17R2.5360 Brc1cc(ccc1CSc2ccncc2)I 62a_100000728582_100010146610 [0,2,0,0,0,0|2,0,0]=4 2701 B17R2.5360 Brc1cc(ccc1CSc2ccncc2)I 62a_100010146610_100000728582 [0,2,0,0,0,0|2,0,0]=4 2702 B17R2.5360 Brc1ccc(c(c1)Br)CSc2ccncc2 62a_100000728582_200012351560 [0,2,0,0,0,0|2,0,0]=4 2703 B17R2.5360 Brc1ccc(c(c1)Br)CSc2ccncc2 62a_200012351560_100000728582 [0,2,0,0,0,0|2,0,0]=4 2704 B17R2.5360 Brc1ccc(c(c1)Br)SCc2ccncc2 62a_100011484698_100015193705 [0,2,0,0,0,0|2,0,0]=4 2705 B17R2.5360 Brc1ccc(c(c1)Br)SCc2ccncc2 62a_100015193705_100011484698 [0,2,0,0,0,0|2,0,0]=4 2706 B17R2.5360 Brc1ccc(c(c1)I)CSc2ccncc2 62a_100000728582_100010146615 [0,2,0,0,0,0|2,0,0]=4 2707 B17R2.5360 Brc1ccc(c(c1)I)CSc2ccncc2 62a_100010146615_100000728582 [0,2,0,0,0,0|2,0,0]=4 2708 B17R2.5360 Cc1c[n+](ccc1SCc2ccncc2)[O-] 62a_100015193705_100000074940 [0,2,0,0,0,0|1,0,1]=4 2709 B17R2.5360 Cc1cc(ccc1CSc2ccncc2)Br 62a_100000708836_100000728582 [0,2,0,0,0,0|2,0,0]=4 2710 B17R2.5360 Cc1cc(ccc1CSc2ccncc2)Br 62a_100000728582_100000708836 [0,2,0,0,0,0|2,0,0]=4 2711 B17R2.5360 Cc1cc(ccc1CSc2ccncc2)Cl 62a_100000728582_100012361307 [0,2,0,0,0,0|2,0,0]=4 2712 B17R2.5360 Cc1cc(ccc1CSc2ccncc2)Cl 62a_100012361307_100000728582 [0,2,0,0,0,0|2,0,0]=4 2713 B17R2.5360 Cc1cc(ccc1CSc2ccncc2)F 62a_100000700533_100000728582 [0,2,0,0,0,0|2,0,0]=4 2714 B17R2.5360 Cc1cc(ccc1CSc2ccncc2)F 62a_100000728582_100000700533 [0,2,0,0,0,0|2,0,0]=4 2715 B17R2.5360 Cc1cc(ccc1SCc2ccncc2)Br 62a_100000701812_100015193705 [0,2,0,0,0,0|2,0,0]=4 2716 B17R2.5360 Cc1cc(ccc1SCc2ccncc2)Br 62a_100015193705_100000701812 [0,2,0,0,0,0|2,0,0]=4 2717 B17R2.5360 Cc1cc(ccc1SCc2ccncc2)Cl 62a_100011219607_100015193705 [0,2,0,0,0,0|2,0,0]=4 2718 B17R2.5360 Cc1cc(ccc1SCc2ccncc2)Cl 62a_100015193705_100011219607 [0,2,0,0,0,0|2,0,0]=4 2719 B17R2.5360 Cc1cc(ccc1SCc2ccncc2)F 62a_100011205405_100015193705 [0,2,0,0,0,0|2,0,0]=4 2720 B17R2.5360 Cc1cc(ccc1SCc2ccncc2)F 62a_100015193705_100011205405 [0,2,0,0,0,0|2,0,0]=4 2721 B17R2.5360 Cc1cc(ccc1SCc2ccncc2)N 62a_100000210723_100015193705 [0,2,0,0,0,0|2,0,0]=4 2722 B17R2.5360 Cc1cc(ccc1SCc2ccncc2)N 62a_100015193705_100000210723 [0,2,0,0,0,0|2,0,0]=4 2723 B17R2.5360 Cc1cc(ccc1SCc2ccncc2)O 62a_100015193705_100000690111 [0,2,0,0,0,0|2,0,0]=4 2724 B17R2.5360 Cc1ccc(c(c1)Br)SCc2ccncc2 62a_100009813563_100015193705 [0,2,0,0,0,0|2,0,0]=4 2725 B17R2.5360 Cc1ccc(c(c1)Br)SCc2ccncc2 62a_100015193705_100009813563 [0,2,0,0,0,0|2,0,0]=4 2726 B17R2.5360 Cc1ccc(c(c1)C)CSc2ccncc2 62a_100000728582_100011219618 [0,2,0,0,0,0|2,0,0]=4 2727 B17R2.5360 Cc1ccc(c(c1)C)CSc2ccncc2 62a_100011219618_100000728582 [0,2,0,0,0,0|2,0,0]=4 2728 B17R2.5360 Cc1ccc(c(c1)C)SCc2ccncc2 62a_100011217332_100015193705 [0,2,0,0,0,0|2,0,0]=4 2729 B17R2.5360 Cc1ccc(c(c1)C)SCc2ccncc2 62a_100015193705_100011217332 [0,2,0,0,0,0|2,0,0]=4 2730 B17R2.5360 Cc1ccc(c(c1)Cl)CSc2ccncc2 62a_100000728582_100012349684 [0,2,0,0,0,0|2,0,0]=4 2731 B17R2.5360 Cc1ccc(c(c1)Cl)CSc2ccncc2 62a_100012349684_100000728582 [0,2,0,0,0,0|2,0,0]=4 2732 B17R2.5360 Cc1ccc(c(c1)Cl)SCc2ccncc2 62a_100011263221_100015193705 [0,2,0,0,0,0|2,0,0]=4 2733 B17R2.5360 Cc1ccc(c(c1)Cl)SCc2ccncc2 62a_100015193705_100011263221 [0,2,0,0,0,0|2,0,0]=4 2734 B17R2.5360 Cc1ccc(c(c1)F)CSc2ccncc2 62a_100000728582_100011217900 [0,2,0,0,0,0|2,0,0]=4 2735 B17R2.5360 Cc1ccc(c(c1)F)CSc2ccncc2 62a_100011217900_100000728582 [0,2,0,0,0,0|2,0,0]=4 2736 B17R2.5360 Cc1ccc(c(c1)F)SCc2ccncc2 62a_100011216119_100015193705 [0,2,0,0,0,0|2,0,0]=4 2737 B17R2.5360 Cc1ccc(c(c1)F)SCc2ccncc2 62a_100015193705_100011216119 [0,2,0,0,0,0|2,0,0]=4 2738 B17R2.5360 Cc1ccc(c(c1)N)SCc2ccncc2 62a_100011216686_100015193705 [0,2,0,0,0,0|2,0,0]=4 2739 B17R2.5360 Cc1ccc(c(c1)N)SCc2ccncc2 62a_100015193705_100011216686 [0,2,0,0,0,0|2,0,0]=4 2740 B17R2.5360 Cc1ccc(c(c1)O)SCc2ccncc2 62a_100012002257_100015193705 [0,2,0,0,0,0|2,0,0]=4 2741 B17R2.5360 Cc1ccc(c(c1)O)SCc2ccncc2 62a_100015193705_100012002257 [0,2,0,0,0,0|2,0,0]=4 2742 B17R2.5360 Clc1cc(ccc1CSc2ccncc2)Br 62a_100000728582_100011740631 [0,2,0,0,0,0|2,0,0]=4 2743 B17R2.5360 Clc1cc(ccc1CSc2ccncc2)Br 62a_100011740631_100000728582 [0,2,0,0,0,0|2,0,0]=4 2744 B17R2.5360 Clc1cc(ccc1SCc2ccncc2)Br 62a_100011216062_100015193705 [0,2,0,0,0,0|2,0,0]=4 2745 B17R2.5360 Clc1cc(ccc1SCc2ccncc2)Br 62a_100015193705_100011216062 [0,2,0,0,0,0|2,0,0]=4 2746 B17R2.5360 Clc1ccc(c(c1)Br)CSc2ccncc2 62a_100000728582_100000755608 [0,2,0,0,0,0|2,0,0]=4 2747 B17R2.5360 Clc1ccc(c(c1)Br)CSc2ccncc2 62a_100000755608_100000728582 [0,2,0,0,0,0|2,0,0]=4 2748 B17R2.5360 Clc1ccc(c(c1)Br)SCc2ccncc2 62a_100011219703_100015193705 [0,2,0,0,0,0|2,0,0]=4 2749 B17R2.5360 Clc1ccc(c(c1)Br)SCc2ccncc2 62a_100015193705_100011219703 [0,2,0,0,0,0|2,0,0]=4 2750 B17R2.5360 Clc1ccc(c(c1)Cl)CSc2ccncc2 62a_100000188473_100000728582 [0,2,0,0,0,0|2,0,0]=4 2751 B17R2.5360 Clc1ccc(c(c1)Cl)CSc2ccncc2 62a_100000728582_100000188473 [0,2,0,0,0,0|2,0,0]=4 2752 B17R2.5360 Clc1ccc(c(c1)Cl)SCc2ccncc2 62a_100000699841_100015193705 [0,2,0,0,0,0|2,0,0]=4 2753 B17R2.5360 Clc1ccc(c(c1)Cl)SCc2ccncc2 62a_100015193705_100000699841 [0,2,0,0,0,0|2,0,0]=4 2754 B17R2.5360 Clc1ccc(c(c1)I)CSc2ccncc2 62a_100000728582_100010254388 [0,2,0,0,0,0|2,0,0]=4 2755 B17R2.5360 Clc1ccc(c(c1)I)CSc2ccncc2 62a_100010254388_100000728582 [0,2,0,0,0,0|2,0,0]=4 2756 B17R2.5360 Fc1cc(ccc1CSc2ccncc2)Br 62a_100000211606_100000728582 [0,2,0,0,0,0|2,0,0]=4 2757 B17R2.5360 Fc1cc(ccc1CSc2ccncc2)Br 62a_100000728582_100000211606 [0,2,0,0,0,0|2,0,0]=4 2758 B17R2.5360 Fc1cc(ccc1CSc2ccncc2)Cl 62a_100000709361_100000728582 [0,2,0,0,0,0|2,0,0]=4 2759 B17R2.5360 Fc1cc(ccc1CSc2ccncc2)Cl 62a_100000728582_100000709361 [0,2,0,0,0,0|2,0,0]=4 2760 B17R2.5360 Fc1cc(ccc1CSc2ccncc2)I 62a_100000728582_100010244991 [0,2,0,0,0,0|2,0,0]=4 2761 B17R2.5360 Fc1cc(ccc1CSc2ccncc2)I 62a_100010244991_100000728582 [0,2,0,0,0,0|2,0,0]=4 2762 B17R2.5360 Fc1cc(ccc1SCc2ccncc2)Br 62a_100009814013_100015193705 [0,2,0,0,0,0|2,0,0]=4 2763 B17R2.5360 Fc1cc(ccc1SCc2ccncc2)Br 62a_100015193705_100009814013 [0,2,0,0,0,0|2,0,0]=4 2764 B17R2.5360 Fc1cc(ccc1SCc2ccncc2)Cl 62a_100011216042_100015193705 [0,2,0,0,0,0|2,0,0]=4 2765 B17R2.5360 Fc1cc(ccc1SCc2ccncc2)Cl 62a_100015193705_100011216042 [0,2,0,0,0,0|2,0,0]=4 2766 B17R2.5360 Fc1ccc(c(c1)Br)CSc2ccncc2 62a_100000243222_100000728582 [0,2,0,0,0,0|2,0,0]=4 2767 B17R2.5360 Fc1ccc(c(c1)Br)CSc2ccncc2 62a_100000728582_100000243222 [0,2,0,0,0,0|2,0,0]=4 2768 B17R2.5360 Fc1ccc(c(c1)Br)SCc2ccncc2 62a_100011217111_100015193705 [0,2,0,0,0,0|2,0,0]=4 2769 B17R2.5360 Fc1ccc(c(c1)Br)SCc2ccncc2 62a_100015193705_100011217111 [0,2,0,0,0,0|2,0,0]=4 2770 B17R2.5360 Fc1ccc(c(c1)Cl)CSc2ccncc2 62a_100000187853_100000728582 [0,2,0,0,0,0|2,0,0]=4 2771 B17R2.5360 Fc1ccc(c(c1)Cl)CSc2ccncc2 62a_100000728582_100000187853 [0,2,0,0,0,0|2,0,0]=4 2772 B17R2.5360 Fc1ccc(c(c1)Cl)SCc2ccncc2 62a_100000733362_100015193705 [0,2,0,0,0,0|2,0,0]=4 2773 B17R2.5360 Fc1ccc(c(c1)Cl)SCc2ccncc2 62a_100015193705_100000733362 [0,2,0,0,0,0|2,0,0]=4 2774 B17R2.5360 Fc1ccc(c(c1)F)CSc2ccncc2 62a_100000728582_100000748237 [0,2,0,0,0,0|2,0,0]=4 2775 B17R2.5360 Fc1ccc(c(c1)F)CSc2ccncc2 62a_100000748237_100000728582 [0,2,0,0,0,0|2,0,0]=4 2776 B17R2.5360 Fc1ccc(c(c1)F)SCc2ccncc2 62a_100000750030_100015193705 [0,2,0,0,0,0|2,0,0]=4 2777 B17R2.5360 Fc1ccc(c(c1)F)SCc2ccncc2 62a_100015193705_100000750030 [0,2,0,0,0,0|2,0,0]=4 2778 B17R2.5360 Fc1ccc(c(c1)I)CSc2ccncc2 62a_100000728582_100012354799 [0,2,0,0,0,0|2,0,0]=4 2779 B17R2.5360 Fc1ccc(c(c1)I)CSc2ccncc2 62a_100012354799_100000728582 [0,2,0,0,0,0|2,0,0]=4 2780 B17R2.5360 Nc1cc(ccc1SCc2ccncc2)Br 62a_100000743836_100015193705 [0,2,0,0,0,0|2,0,0]=4 2781 B17R2.5360 Nc1cc(ccc1SCc2ccncc2)Br 62a_100015193705_100000743836 [0,2,0,0,0,0|2,0,0]=4 2782 B17R2.5360 Nc1cc(ccc1SCc2ccncc2)Cl 62a_100000761886_100015193705 [0,2,0,0,0,0|2,0,0]=4 2783 B17R2.5360 Nc1cc(ccc1SCc2ccncc2)Cl 62a_100015193705_100000761886 [0,2,0,0,0,0|2,0,0]=4 2784 B17R2.5360 Nc1cc(ccc1SCc2ccncc2)F 62a_100000687223_100015193705 [0,2,0,0,0,0|2,0,0]=4 2785 B17R2.5360 Nc1cc(ccc1SCc2ccncc2)F 62a_100015193705_100000687223 [0,2,0,0,0,0|2,0,0]=4 2786 B17R2.5360 Nc1cc(ccc1SCc2ccncc2)O 62a_100011999798_100015193705 [0,2,0,0,0,0|2,0,0]=4 2787 B17R2.5360 Nc1cc(ccc1SCc2ccncc2)O 62a_100015193705_100011999798 [0,2,0,0,0,0|2,0,0]=4 2788 B17R2.5360 Nc1ccc(c(c1)Br)SCc2ccncc2 62a_100000750458_100015193705 [0,2,0,0,0,0|2,0,0]=4 2789 B17R2.5360 Nc1ccc(c(c1)Br)SCc2ccncc2 62a_100015193705_100000750458 [0,2,0,0,0,0|2,0,0]=4 2790 B17R2.5360 Nc1ccc(c(c1)Cl)SCc2ccncc2 62a_100000761885_100015193705 [0,2,0,0,0,0|2,0,0]=4 2791 B17R2.5360 Nc1ccc(c(c1)Cl)SCc2ccncc2 62a_100015193705_100000761885 [0,2,0,0,0,0|2,0,0]=4 2792 B17R2.5360 Nc1ccc(c(c1)F)SCc2ccncc2 62a_100011356925_100015193705 [0,2,0,0,0,0|2,0,0]=4 2793 B17R2.5360 Nc1ccc(c(c1)F)SCc2ccncc2 62a_100015193705_100011356925 [0,2,0,0,0,0|2,0,0]=4 2794 B17R2.5360 Nc1ccc(c(c1)N)SCc2ccncc2 62a_100015193705_200012175722 [0,2,0,0,0,0|2,0,0]=4 2795 B17R2.5360 Nc1ccc(c(c1)N)SCc2ccncc2 62a_200012175722_100015193705 [0,2,0,0,0,0|2,0,0]=4 2796 B17R2.5360 Oc1cc(ccc1SCc2ccncc2)Br 62a_100012344904_100015193705 [0,2,0,0,0,0|2,0,0]=4 2797 B17R2.5360 Oc1cc(ccc1SCc2ccncc2)Br 62a_100015193705_100012344904 [0,2,0,0,0,0|2,0,0]=4 2798 B17R2.5360 Oc1cc(ccc1SCc2ccncc2)Cl 62a_100000050036_100015193705 [0,2,0,0,0,0|2,0,0]=4 2799 B17R2.5360 Oc1cc(ccc1SCc2ccncc2)Cl 62a_100015193705_100000050036 [0,2,0,0,0,0|2,0,0]=4 2800 B17R2.5360 Oc1cc(ccc1SCc2ccncc2)F 62a_100000690578_100015193705 [0,2,0,0,0,0|2,0,0]=4 2801 B17R2.5360 Oc1cc(ccc1SCc2ccncc2)F 62a_100015193705_100000690578 [0,2,0,0,0,0|2,0,0]=4 2802 B17R2.5360 Oc1ccc(c(c1)Br)SCc2ccncc2 62a_100000701344_100015193705 [0,2,0,0,0,0|2,0,0]=4 2803 B17R2.5360 Oc1ccc(c(c1)Br)SCc2ccncc2 62a_100015193705_100000701344 [0,2,0,0,0,0|2,0,0]=4 2804 B17R2.5360 Oc1ccc(c(c1)Cl)SCc2ccncc2 62a_100000047559_100015193705 [0,2,0,0,0,0|2,0,0]=4 2805 B17R2.5360 Oc1ccc(c(c1)Cl)SCc2ccncc2 62a_100015193705_100000047559 [0,2,0,0,0,0|2,0,0]=4 2806 B17R2.5360 Oc1ccc(c(c1)F)SCc2ccncc2 62a_100000755031_100015193705 [0,2,0,0,0,0|2,0,0]=4 2807 B17R2.5360 Oc1ccc(c(c1)F)SCc2ccncc2 62a_100015193705_100000755031 [0,2,0,0,0,0|2,0,0]=4 2808 B17R2.5360 Oc1ccc(c(c1)O)SCc2ccncc2 62a_100015193705_100009813921 [0,2,0,0,0,0|2,0,0]=4 2809 B17R2.5365 Brc1cc(c(cn1)Br)NCc2ccncc2 27a_100000210450_100010171693 [0,2,0,0,0,0|2,0,0]=4 2810 B17R2.5365 Brc1cc(c(cn1)Br)SCc2ccccc2 62a_100000211182_100010171693 [0,2,0,0,0,0|2,0,0]=4 2811 B17R2.5365 Brc1cc(c(cn1)Br)SCc2ccccc2 62a_100010171693_100015291786 [0,2,0,0,0,0|2,0,0]=4 2812 B17R2.5365 Brc1cc(c(cn1)Br)SCc2ccncc2 62a_100010171693_100015193705 [0,2,0,0,0,0|1,0,0]=3 2813 B17R2.5365 Brc1cc(c(cn1)Br)SCc2ccncc2 62a_100015193705_100010171693 [0,2,0,0,0,0|1,0,0]=3 2814 B17R2.5365 Brc1ccc(c(c1)CSc2ccncc2)Br 62a_100000728582_100011982794 [0,2,0,0,0,0|2,0,0]=4 2815 B17R2.5365 Brc1ccc(c(c1)CSc2ccncc2)Br 62a_100011982794_100000728582 [0,2,0,0,0,0|2,0,0]=4 2816 B17R2.5365 Brc1ccc(c(c1)CSc2ccncc2)I 62a_100000728582_100012362523 [0,2,0,0,0,0|2,0,0]=4 2817 B17R2.5365 Brc1ccc(c(c1)CSc2ccncc2)I 62a_100012362523_100000728582 [0,2,0,0,0,0|2,0,0]=4 2818 B17R2.5365 Brc1ccc(c(c1)SCc2ccncc2)Br 62a_100011483371_100015193705 [0,2,0,0,0,0|2,0,0]=4 2819 B17R2.5365 Brc1ccc(c(c1)SCc2ccncc2)Br 62a_100015193705_100011483371 [0,2,0,0,0,0|2,0,0]=4 2820 B17R2.5365 Brc1ccc(cc1CSc2ccncc2)I 62a_100000728582_100012355412 [0,2,0,0,0,0|2,0,0]=4 2821 B17R2.5365 Brc1ccc(cc1CSc2ccncc2)I 62a_100012355412_100000728582 [0,2,0,0,0,0|2,0,0]=4 2822 B17R2.5365 Cc1cc(c(=O)[nH]n1)SCc2ccncc2 62a_100009819039_100015193705 [0,2,0,0,0,0|2,0,0]=4 2823 B17R2.5365 Cc1cc(c(=O)[nH]n1)SCc2ccncc2 62a_100015193705_100009819039 [0,2,0,0,0,0|2,0,0]=4 2824 B17R2.5365 Cc1cc(c(cn1)C)SCc2ccccc2 62a_100000211182_100009862788 [0,2,0,0,0,0|2,0,0]=4 2825 B17R2.5365 Cc1cc(c(cn1)C)SCc2ccccc2 62a_100009862788_100015291786 [0,2,0,0,0,0|2,0,0]=4 2826 B17R2.5365 Cc1cc(c(cn1)C)SCc2ccncc2 62a_100009862788_100015193705 [0,2,0,0,0,0|1,0,0]=3 2827 B17R2.5365 Cc1cc(c(cn1)C)SCc2ccncc2 62a_100015193705_100009862788 [0,2,0,0,0,0|1,0,0]=3 2828 B17R2.5365 Cc1cc(c(cn1)F)NCc2ccncc2 27a_100000210450_100009867690 [0,2,0,0,0,0|2,0,0]=4 2829 B17R2.5365 Cc1cc(c(cn1)F)SCc2ccccc2 62a_100000211182_100009867690 [0,2,0,0,0,0|2,0,0]=4 2830 B17R2.5365 Cc1cc(c(cn1)F)SCc2ccccc2 62a_100009867690_100015291786 [0,2,0,0,0,0|2,0,0]=4 2831 B17R2.5365 Cc1cc(c(cn1)F)SCc2ccncc2 62a_100009867690_100015193705 [0,2,0,0,0,0|1,0,0]=3 2832 B17R2.5365 Cc1cc(c(cn1)F)SCc2ccncc2 62a_100015193705_100009867690 [0,2,0,0,0,0|1,0,0]=3 2833 B17R2.5365 Cc1cc(c(cn1)O)SCc2ccccc2 62a_100000211182_100009843476 [0,2,0,0,0,0|2,0,0]=4 2834 B17R2.5365 Cc1cc(c(cn1)O)SCc2ccccc2 62a_100009843476_100015291786 [0,2,0,0,0,0|2,0,0]=4 2835 B17R2.5365 Cc1cc(c(cn1)O)SCc2ccncc2 62a_100009843476_100015193705 [0,2,0,0,0,0|1,0,0]=3 2836 B17R2.5365 Cc1cc(c(cn1)O)SCc2ccncc2 62a_100015193705_100009843476 [0,2,0,0,0,0|1,0,0]=3 2837 B17R2.5365 Cc1ccc(c(c1)CSc2ccncc2)C 62a_100000184699_100000728582 [0,2,0,0,0,0|2,0,0]=4 2838 B17R2.5365 Cc1ccc(c(c1)CSc2ccncc2)C 62a_100000728582_100000184699 [0,2,0,0,0,0|2,0,0]=4 2839 B17R2.5365 Cc1ccc(c(c1)CSc2ccncc2)Cl 62a_100000728582_100009871730 [0,2,0,0,0,0|2,0,0]=4 2840 B17R2.5365 Cc1ccc(c(c1)CSc2ccncc2)Cl 62a_100009871730_100000728582 [0,2,0,0,0,0|2,0,0]=4 2841 B17R2.5365 Cc1ccc(c(c1)CSc2ccncc2)F 62a_100000728582_100011260760 [0,2,0,0,0,0|2,0,0]=4 2842 B17R2.5365 Cc1ccc(c(c1)CSc2ccncc2)F 62a_100011260760_100000728582 [0,2,0,0,0,0|2,0,0]=4 2843 B17R2.5365 Cc1ccc(c(c1)SCc2ccncc2)Br 62a_100012353751_100015193705 [0,2,0,0,0,0|2,0,0]=4 2844 B17R2.5365 Cc1ccc(c(c1)SCc2ccncc2)Br 62a_100015193705_100012353751 [0,2,0,0,0,0|2,0,0]=4 2845 B17R2.5365 Cc1ccc(c(c1)SCc2ccncc2)C 62a_100000210833_100015193705 [0,2,0,0,0,0|2,0,0]=4 2846 B17R2.5365 Cc1ccc(c(c1)SCc2ccncc2)C 62a_100015193705_100000210833 [0,2,0,0,0,0|2,0,0]=4 2847 B17R2.5365 Cc1ccc(c(c1)SCc2ccncc2)Cl 62a_100012356289_100015193705 [0,2,0,0,0,0|2,0,0]=4 2848 B17R2.5365 Cc1ccc(c(c1)SCc2ccncc2)Cl 62a_100015193705_100012356289 [0,2,0,0,0,0|2,0,0]=4 2849 B17R2.5365 Cc1ccc(c(c1)SCc2ccncc2)F 62a_100000736223_100015193705 [0,2,0,0,0,0|2,0,0]=4 2850 B17R2.5365 Cc1ccc(c(c1)SCc2ccncc2)F 62a_100015193705_100000736223 [0,2,0,0,0,0|2,0,0]=4 2851 B17R2.5365 Cc1ccc(c(c1)SCc2ccncc2)N 62a_100011356834_100015193705 [0,2,0,0,0,0|2,0,0]=4 2852 B17R2.5365 Cc1ccc(c(c1)SCc2ccncc2)N 62a_100015193705_100011356834 [0,2,0,0,0,0|2,0,0]=4 2853 B17R2.5365 Cc1ccc(c(c1)SCc2ccncc2)O 62a_100000765521_100015193705 [0,2,0,0,0,0|2,0,0]=4 2854 B17R2.5365 Cc1ccc(c(c1)SCc2ccncc2)O 62a_100015193705_100000765521 [0,2,0,0,0,0|2,0,0]=4 2855 B17R2.5365 Cc1ccc(cc1CSc2ccncc2)Cl 62a_100000728582_100012186985 [0,2,0,0,0,0|2,0,0]=4 2856 B17R2.5365 Cc1ccc(cc1CSc2ccncc2)Cl 62a_100012186985_100000728582 [0,2,0,0,0,0|2,0,0]=4 2857 B17R2.5365 Cc1ccc(cc1CSc2ccncc2)F 62a_100000709795_100000728582 [0,2,0,0,0,0|2,0,0]=4 2858 B17R2.5365 Cc1ccc(cc1CSc2ccncc2)F 62a_100000728582_100000709795 [0,2,0,0,0,0|2,0,0]=4 2859 B17R2.5365 Cc1ccc(cc1SCc2ccncc2)Br 62a_100011344865_100015193705 [0,2,0,0,0,0|2,0,0]=4 2860 B17R2.5365 Cc1ccc(cc1SCc2ccncc2)Br 62a_100015193705_100011344865 [0,2,0,0,0,0|2,0,0]=4 2861 B17R2.5365 Cc1ccc(cc1SCc2ccncc2)Cl 62a_100011263213_100015193705 [0,2,0,0,0,0|2,0,0]=4 2862 B17R2.5365 Cc1ccc(cc1SCc2ccncc2)Cl 62a_100015193705_100011263213 [0,2,0,0,0,0|2,0,0]=4 2863 B17R2.5365 Cc1ccc(cc1SCc2ccncc2)F 62a_100011218078_100015193705 [0,2,0,0,0,0|2,0,0]=4 2864 B17R2.5365 Cc1ccc(cc1SCc2ccncc2)F 62a_100015193705_100011218078 [0,2,0,0,0,0|2,0,0]=4 2865 B17R2.5365 Cc1ccc(cc1SCc2ccncc2)N 62a_100000736455_100015193705 [0,2,0,0,0,0|2,0,0]=4 2866 B17R2.5365 Cc1ccc(cc1SCc2ccncc2)N 62a_100015193705_100000736455 [0,2,0,0,0,0|2,0,0]=4 2867 B17R2.5365 Cc1ccc(cc1SCc2ccncc2)O 62a_100011380479_100015193705 [0,2,0,0,0,0|2,0,0]=4 2868 B17R2.5365 Cc1ccc(cc1SCc2ccncc2)O 62a_100015193705_100011380479 [0,2,0,0,0,0|2,0,0]=4 2869 B17R2.5365 Cc1cnc(cc1NCc2ccncc2)F 27a_100000210450_100000049870 [0,2,0,0,0,0|2,0,0]=4 2870 B17R2.5365 Cc1cnc(cc1OCc2ccncc2)Br 7a_100000704368_100015193705 [0,2,0,0,0,0|1,1,0]=4 2871 B17R2.5365 Cc1cnc(cc1SCc2ccccc2)Br 62a_100000211182_100010067628 [0,2,0,0,0,0|2,0,0]=4 2872 B17R2.5365 Cc1cnc(cc1SCc2ccccc2)Br 62a_100010067628_100015291786 [0,2,0,0,0,0|2,0,0]=4 2873 B17R2.5365 Cc1cnc(cc1SCc2ccccc2)Cl 62a_100000211182_100010068021 [0,2,0,0,0,0|2,0,0]=4 2874 B17R2.5365 Cc1cnc(cc1SCc2ccccc2)Cl 62a_100010068021_100015291786 [0,2,0,0,0,0|2,0,0]=4 2875 B17R2.5365 Cc1cnc(cc1SCc2ccccc2)F 62a_100000049870_100015291786 [0,2,0,0,0,0|2,0,0]=4 2876 B17R2.5365 Cc1cnc(cc1SCc2ccccc2)F 62a_100000211182_100000049870 [0,2,0,0,0,0|2,0,0]=4 2877 B17R2.5365 Cc1cnc(cc1SCc2ccccc2)N 62a_100000211182_100009819938 [0,2,0,0,0,0|2,0,0]=4 2878 B17R2.5365 Cc1cnc(cc1SCc2ccccc2)N 62a_100009819938_100015291786 [0,2,0,0,0,0|2,0,0]=4 2879 B17R2.5365 Cc1cnc(cc1SCc2ccccc2)O 62a_100000211182_100009831917 [0,2,0,0,0,0|2,0,0]=4 2880 B17R2.5365 Cc1cnc(cc1SCc2ccccc2)O 62a_100009831917_100015291786 [0,2,0,0,0,0|2,0,0]=4 2881 B17R2.5365 Cc1cnc(cc1SCc2ccncc2)Br 62a_100010067628_100015193705 [0,2,0,0,0,0|1,0,0]=3 2882 B17R2.5365 Cc1cnc(cc1SCc2ccncc2)Br 62a_100015193705_100010067628 [0,2,0,0,0,0|1,0,0]=3 2883 B17R2.5365 Cc1cnc(cc1SCc2ccncc2)Cl 62a_100010068021_100015193705 [0,2,0,0,0,0|1,0,0]=3 2884 B17R2.5365 Cc1cnc(cc1SCc2ccncc2)Cl 62a_100015193705_100010068021 [0,2,0,0,0,0|1,0,0]=3 2885 B17R2.5365 Cc1cnc(cc1SCc2ccncc2)F 62a_100000049870_100015193705 [0,2,0,0,0,0|1,0,0]=3 2886 B17R2.5365 Cc1cnc(cc1SCc2ccncc2)F 62a_100015193705_100000049870 [0,2,0,0,0,0|1,0,0]=3 2887 B17R2.5365 Cc1cnc(cc1SCc2ccncc2)N 62a_100009819938_100015193705 [0,2,0,0,0,0|1,0,0]=3 2888 B17R2.5365 Cc1cnc(cc1SCc2ccncc2)N 62a_100015193705_100009819938 [0,2,0,0,0,0|1,0,0]=3 2889 B17R2.5365 Cc1cnc(cc1SCc2ccncc2)O 62a_100009831917_100015193705 [0,2,0,0,0,0|1,0,0]=3 2890 B17R2.5365 Cc1cnc(cc1SCc2ccncc2)O 62a_100015193705_100009831917 [0,2,0,0,0,0|1,0,0]=3 2891 B17R2.5365 Cc1cnc(nc1SCc2ccncc2)N 62a_100000016107_100015193705 [0,2,0,0,0,0|2,0,0]=4 2892 B17R2.5365 Cc1cnc(nc1SCc2ccncc2)N 62a_100015193705_100000016107 [0,2,0,0,0,0|2,0,0]=4 2893 B17R2.5365 Cc1ncc(c(n1)SCc2ccncc2)F 62a_100000059819_100015193705 [0,2,0,0,0,0|2,0,0]=4 2894 B17R2.5365 Cc1ncc(c(n1)SCc2ccncc2)F 62a_100015193705_100000059819 [0,2,0,0,0,0|2,0,0]=4 2895 B17R2.5365 Cc1ncc(c(n1)SCc2ccncc2)N 62a_100009873743_100015193705 [0,2,0,0,0,0|2,0,0]=4 2896 B17R2.5365 Cc1ncc(c(n1)SCc2ccncc2)N 62a_100015193705_100009873743 [0,2,0,0,0,0|2,0,0]=4 2897 B17R2.5365 Clc1cc(c(cn1)Br)SCc2ccccc2 62a_100000211182_100009815598 [0,2,0,0,0,0|2,0,0]=4 2898 B17R2.5365 Clc1cc(c(cn1)Br)SCc2ccccc2 62a_100009815598_100015291786 [0,2,0,0,0,0|2,0,0]=4 2899 B17R2.5365 Clc1cc(c(cn1)Br)SCc2ccncc2 62a_100009815598_100015193705 [0,2,0,0,0,0|1,0,0]=3 2900 B17R2.5365 Clc1cc(c(cn1)Br)SCc2ccncc2 62a_100015193705_100009815598 [0,2,0,0,0,0|1,0,0]=3 2901 B17R2.5365 Clc1cc(c(cn1)Cl)SCc2ccccc2 62a_100000211182_100010172835 [0,2,0,0,0,0|2,0,0]=4 2902 B17R2.5365 Clc1cc(c(cn1)Cl)SCc2ccccc2 62a_100010172835_100015291786 [0,2,0,0,0,0|2,0,0]=4 2903 B17R2.5365 Clc1cc(c(cn1)Cl)SCc2ccncc2 62a_100010172835_100015193705 [0,2,0,0,0,0|1,0,0]=3 2904 B17R2.5365 Clc1cc(c(cn1)Cl)SCc2ccncc2 62a_100015193705_100010172835 [0,2,0,0,0,0|1,0,0]=3 2905 B17R2.5365 Clc1ccc(c(c1)CSc2ccncc2)Br 62a_100000728582_100000733903 [0,2,0,0,0,0|2,0,0]=4 2906 B17R2.5365 Clc1ccc(c(c1)CSc2ccncc2)Br 62a_100000733903_100000728582 [0,2,0,0,0,0|2,0,0]=4 2907 B17R2.5365 Clc1ccc(c(c1)CSc2ccncc2)Cl 62a_100000728582_100000756322 [0,2,0,0,0,0|2,0,0]=4 2908 B17R2.5365 Clc1ccc(c(c1)CSc2ccncc2)Cl 62a_100000756322_100000728582 [0,2,0,0,0,0|2,0,0]=4 2909 B17R2.5365 Clc1ccc(c(c1)CSc2ccncc2)I 62a_100000728582_100012348826 [0,2,0,0,0,0|2,0,0]=4 2910 B17R2.5365 Clc1ccc(c(c1)CSc2ccncc2)I 62a_100012348826_100000728582 [0,2,0,0,0,0|2,0,0]=4 2911 B17R2.5365 Clc1ccc(c(c1)SCc2ccncc2)Br 62a_100012339723_100015193705 [0,2,0,0,0,0|2,0,0]=4 2912 B17R2.5365 Clc1ccc(c(c1)SCc2ccncc2)Br 62a_100015193705_100012339723 [0,2,0,0,0,0|2,0,0]=4 2913 B17R2.5365 Clc1ccc(c(c1)SCc2ccncc2)Cl 62a_100000707729_100015193705 [0,2,0,0,0,0|2,0,0]=4 2914 B17R2.5365 Clc1ccc(c(c1)SCc2ccncc2)Cl 62a_100015193705_100000707729 [0,2,0,0,0,0|2,0,0]=4 2915 B17R2.5365 Clc1ccc(cc1CSc2ccncc2)Br 62a_100000728582_100000763347 [0,2,0,0,0,0|2,0,0]=4 2916 B17R2.5365 Clc1ccc(cc1CSc2ccncc2)Br 62a_100000763347_100000728582 [0,2,0,0,0,0|2,0,0]=4 2917 B17R2.5365 Clc1ccc(cc1CSc2ccncc2)I 62a_100000728582_100010188191 [0,2,0,0,0,0|2,0,0]=4 2918 B17R2.5365 Clc1ccc(cc1CSc2ccncc2)I 62a_100010188191_100000728582 [0,2,0,0,0,0|2,0,0]=4 2919 B17R2.5365 Clc1ccc(cc1SCc2ccncc2)Br 62a_100011772130_100015193705 [0,2,0,0,0,0|2,0,0]=4 2920 B17R2.5365 Clc1ccc(cc1SCc2ccncc2)Br 62a_100015193705_100011772130 [0,2,0,0,0,0|2,0,0]=4 2921 B17R2.5365 Clc1cnc(cc1SCc2ccccc2)Br 62a_100000211182_100010223331 [0,2,0,0,0,0|2,0,0]=4 2922 B17R2.5365 Clc1cnc(cc1SCc2ccccc2)Br 62a_100010223331_100015291786 [0,2,0,0,0,0|2,0,0]=4 2923 B17R2.5365 Clc1cnc(cc1SCc2ccncc2)Br 62a_100010223331_100015193705 [0,2,0,0,0,0|1,0,0]=3 2924 B17R2.5365 Clc1cnc(cc1SCc2ccncc2)Br 62a_100015193705_100010223331 [0,2,0,0,0,0|1,0,0]=3 2925 B17R2.5365 Fc1cc(c(cn1)Cl)NCc2ccncc2 27a_100000210450_100009892587 [0,2,0,0,0,0|2,0,0]=4 2926 B17R2.5365 Fc1cc(c(cn1)Cl)SCc2ccccc2 62a_100000211182_100009892587 [0,2,0,0,0,0|2,0,0]=4 2927 B17R2.5365 Fc1cc(c(cn1)Cl)SCc2ccccc2 62a_100009892587_100015291786 [0,2,0,0,0,0|2,0,0]=4 2928 B17R2.5365 Fc1cc(c(cn1)Cl)SCc2ccncc2 62a_100009892587_100015193705 [0,2,0,0,0,0|1,0,0]=3 2929 B17R2.5365 Fc1cc(c(cn1)Cl)SCc2ccncc2 62a_100015193705_100009892587 [0,2,0,0,0,0|1,0,0]=3 2930 B17R2.5365 Fc1cc(c(cn1)F)NCc2ccncc2 27a_100000210450_100010233071 [0,2,0,0,0,0|2,0,0]=4 2931 B17R2.5365 Fc1cc(c(cn1)F)SCc2ccccc2 62a_100000211182_100010233071 [0,2,0,0,0,0|2,0,0]=4 2932 B17R2.5365 Fc1cc(c(cn1)F)SCc2ccccc2 62a_100010233071_100015291786 [0,2,0,0,0,0|2,0,0]=4 2933 B17R2.5365 Fc1cc(c(cn1)F)SCc2ccncc2 62a_100010233071_100015193705 [0,2,0,0,0,0|1,0,0]=3 2934 B17R2.5365 Fc1cc(c(cn1)F)SCc2ccncc2 62a_100015193705_100010233071 [0,2,0,0,0,0|1,0,0]=3 2935 B17R2.5365 Fc1ccc(c(c1)CSc2ccncc2)Br 62a_100000728582_100000736370 [0,2,0,0,0,0|2,0,0]=4 2936 B17R2.5365 Fc1ccc(c(c1)CSc2ccncc2)Br 62a_100000736370_100000728582 [0,2,0,0,0,0|2,0,0]=4 2937 B17R2.5365 Fc1ccc(c(c1)CSc2ccncc2)Cl 62a_100000709952_100000728582 [0,2,0,0,0,0|2,0,0]=4 2938 B17R2.5365 Fc1ccc(c(c1)CSc2ccncc2)Cl 62a_100000728582_100000709952 [0,2,0,0,0,0|2,0,0]=4 2939 B17R2.5365 Fc1ccc(c(c1)CSc2ccncc2)F 62a_100000685659_100000728582 [0,2,0,0,0,0|2,0,0]=4 2940 B17R2.5365 Fc1ccc(c(c1)CSc2ccncc2)F 62a_100000728582_100000685659 [0,2,0,0,0,0|2,0,0]=4 2941 B17R2.5365 Fc1ccc(c(c1)CSc2ccncc2)I 62a_100000728582_100010149606 [0,2,0,0,0,0|2,0,0]=4 2942 B17R2.5365 Fc1ccc(c(c1)CSc2ccncc2)I 62a_100010149606_100000728582 [0,2,0,0,0,0|2,0,0]=4 2943 B17R2.5365 Fc1ccc(c(c1)SCc2ccncc2)Br 62a_100011217576_100015193705 [0,2,0,0,0,0|2,0,0]=4 2944 B17R2.5365 Fc1ccc(c(c1)SCc2ccncc2)Br 62a_100015193705_100011217576 [0,2,0,0,0,0|2,0,0]=4 2945 B17R2.5365 Fc1ccc(c(c1)SCc2ccncc2)Cl 62a_100011217299_100015193705 [0,2,0,0,0,0|2,0,0]=4 2946 B17R2.5365 Fc1ccc(c(c1)SCc2ccncc2)Cl 62a_100015193705_100011217299 [0,2,0,0,0,0|2,0,0]=4 2947 B17R2.5365 Fc1ccc(c(c1)SCc2ccncc2)F 62a_100011219198_100015193705 [0,2,0,0,0,0|2,0,0]=4 2948 B17R2.5365 Fc1ccc(c(c1)SCc2ccncc2)F 62a_100015193705_100011219198 [0,2,0,0,0,0|2,0,0]=4 2949 B17R2.5365 Fc1ccc(cc1CSc2ccncc2)Br 62a_100000728582_100000736399 [0,2,0,0,0,0|2,0,0]=4 2950 B17R2.5365 Fc1ccc(cc1CSc2ccncc2)Br 62a_100000736399_100000728582 [0,2,0,0,0,0|2,0,0]=4 2951 B17R2.5365 Fc1ccc(cc1CSc2ccncc2)Cl 62a_100000716957_100000728582 [0,2,0,0,0,0|2,0,0]=4 2952 B17R2.5365 Fc1ccc(cc1CSc2ccncc2)Cl 62a_100000728582_100000716957 [0,2,0,0,0,0|2,0,0]=4 2953 B17R2.5365 Fc1ccc(cc1CSc2ccncc2)I 62a_100000728582_200010149601 [0,2,0,0,0,0|2,0,0]=4 2954 B17R2.5365 Fc1ccc(cc1CSc2ccncc2)I 62a_200010149601_100000728582 [0,2,0,0,0,0|2,0,0]=4 2955 B17R2.5365 Fc1ccc(cc1SCc2ccncc2)Br 62a_100011217312_100015193705 [0,2,0,0,0,0|2,0,0]=4 2956 B17R2.5365 Fc1ccc(cc1SCc2ccncc2)Br 62a_100015193705_100011217312 [0,2,0,0,0,0|2,0,0]=4 2957 B17R2.5365 Fc1ccc(cc1SCc2ccncc2)Cl 62a_100011218116_100015193705 [0,2,0,0,0,0|2,0,0]=4 2958 B17R2.5365 Fc1ccc(cc1SCc2ccncc2)Cl 62a_100015193705_100011218116 [0,2,0,0,0,0|2,0,0]=4 2959 B17R2.5365 Fc1cnc(cc1SCc2ccccc2)Br 62a_100000211182_100010193852 [0,2,0,0,0,0|2,0,0]=4 2960 B17R2.5365 Fc1cnc(cc1SCc2ccccc2)Br 62a_100010193852_100015291786 [0,2,0,0,0,0|2,0,0]=4 2961 B17R2.5365 Fc1cnc(cc1SCc2ccccc2)Cl 62a_100000211182_100000708277 [0,2,0,0,0,0|2,0,0]=4 2962 B17R2.5365 Fc1cnc(cc1SCc2ccccc2)Cl 62a_100000708277_100015291786 [0,2,0,0,0,0|2,0,0]=4 2963 B17R2.5365 Fc1cnc(cc1SCc2ccncc2)Br 62a_100010193852_100015193705 [0,2,0,0,0,0|1,0,0]=3 2964 B17R2.5365 Fc1cnc(cc1SCc2ccncc2)Br 62a_100015193705_100010193852 [0,2,0,0,0,0|1,0,0]=3 2965 B17R2.5365 Fc1cnc(cc1SCc2ccncc2)Cl 62a_100000708277_100015193705 [0,2,0,0,0,0|1,0,0]=3 2966 B17R2.5365 Fc1cnc(cc1SCc2ccncc2)Cl 62a_100015193705_100000708277 [0,2,0,0,0,0|1,0,0]=3 2967 B17R2.5365 Nc1cc(c(cn1)Cl)SCc2ccccc2 62a_100000211182_100010134119 [0,2,0,0,0,0|2,0,0]=4 2968 B17R2.5365 Nc1cc(c(cn1)Cl)SCc2ccccc2 62a_100010134119_100015291786 [0,2,0,0,0,0|2,0,0]=4 2969 B17R2.5365 Nc1cc(c(cn1)Cl)SCc2ccncc2 62a_100010134119_100015193705 [0,2,0,0,0,0|1,0,0]=3 2970 B17R2.5365 Nc1cc(c(cn1)Cl)SCc2ccncc2 62a_100015193705_100010134119 [0,2,0,0,0,0|1,0,0]=3 2971 B17R2.5365 Nc1cc(c(cn1)F)SCc2ccccc2 62a_100000211182_100015713587 [0,2,0,0,0,0|2,0,0]=4 2972 B17R2.5365 Nc1cc(c(cn1)F)SCc2ccccc2 62a_100015713587_100015291786 [0,2,0,0,0,0|2,0,0]=4 2973 B17R2.5365 Nc1cc(c(cn1)F)SCc2ccncc2 62a_100015193705_100015713587 [0,2,0,0,0,0|1,0,0]=3 2974 B17R2.5365 Nc1cc(c(cn1)F)SCc2ccncc2 62a_100015713587_100015193705 [0,2,0,0,0,0|1,0,0]=3 2975 B17R2.5365 Nc1ccc(c(c1)SCc2ccncc2)Br 62a_100000750459_100015193705 [0,2,0,0,0,0|2,0,0]=4 2976 B17R2.5365 Nc1ccc(c(c1)SCc2ccncc2)Br 62a_100015193705_100000750459 [0,2,0,0,0,0|2,0,0]=4 2977 B17R2.5365 Nc1ccc(c(c1)SCc2ccncc2)Cl 62a_100012360549_100015193705 [0,2,0,0,0,0|2,0,0]=4 2978 B17R2.5365 Nc1ccc(c(c1)SCc2ccncc2)Cl 62a_100015193705_100012360549 [0,2,0,0,0,0|2,0,0]=4 2979 B17R2.5365 Nc1ccc(c(c1)SCc2ccncc2)F 62a_100000760356_100015193705 [0,2,0,0,0,0|2,0,0]=4 2980 B17R2.5365 Nc1ccc(c(c1)SCc2ccncc2)F 62a_100015193705_100000760356 [0,2,0,0,0,0|2,0,0]=4 2981 B17R2.5365 Nc1ccc(c(c1)SCc2ccncc2)N 62a_100011534242_100015193705 [0,2,0,0,0,0|2,0,0]=4 2982 B17R2.5365 Nc1ccc(c(c1)SCc2ccncc2)N 62a_100015193705_100011534242 [0,2,0,0,0,0|2,0,0]=4 2983 B17R2.5365 Nc1ccc(c(c1)SCc2ccncc2)O 62a_100011534360_100015193705 [0,2,0,0,0,0|2,0,0]=4 2984 B17R2.5365 Nc1ccc(c(c1)SCc2ccncc2)O 62a_100015193705_100011534360 [0,2,0,0,0,0|2,0,0]=4 2985 B17R2.5365 Nc1ccc(cc1SCc2ccncc2)Br 62a_100000187925_100015193705 [0,2,0,0,0,0|2,0,0]=4 2986 B17R2.5365 Nc1ccc(cc1SCc2ccncc2)Br 62a_100015193705_100000187925 [0,2,0,0,0,0|2,0,0]=4 2987 B17R2.5365 Nc1ccc(cc1SCc2ccncc2)Cl 62a_100000761889_100015193705 [0,2,0,0,0,0|2,0,0]=4 2988 B17R2.5365 Nc1ccc(cc1SCc2ccncc2)Cl 62a_100015193705_100000761889 [0,2,0,0,0,0|2,0,0]=4 2989 B17R2.5365 Nc1ccc(cc1SCc2ccncc2)F 62a_100000760547_100015193705 [0,2,0,0,0,0|2,0,0]=4 2990 B17R2.5365 Nc1ccc(cc1SCc2ccncc2)F 62a_100015193705_100000760547 [0,2,0,0,0,0|2,0,0]=4 2991 B17R2.5365 Nc1ccc(cc1SCc2ccncc2)O 62a_100012001276_100015193705 [0,2,0,0,0,0|2,0,0]=4 2992 B17R2.5365 Nc1ccc(cc1SCc2ccncc2)O 62a_100015193705_100012001276 [0,2,0,0,0,0|2,0,0]=4 2993 B17R2.5365 Nc1cnc(cc1SCc2ccccc2)Cl 62a_100000050123_100015291786 [0,2,0,0,0,0|2,0,0]=4 2994 B17R2.5365 Nc1cnc(cc1SCc2ccccc2)Cl 62a_100000211182_100000050123 [0,2,0,0,0,0|2,0,0]=4 2995 B17R2.5365 Nc1cnc(cc1SCc2ccncc2)Cl 62a_100000050123_100015193705 [0,2,0,0,0,0|1,0,0]=3 2996 B17R2.5365 Nc1cnc(cc1SCc2ccncc2)Cl 62a_100015193705_100000050123 [0,2,0,0,0,0|1,0,0]=3 2997 B17R2.5365 Nc1ncc(c(n1)SCc2ccncc2)F 62a_100015193705_200000093006 [0,2,0,0,0,0|2,0,0]=4 2998 B17R2.5365 Nc1ncc(c(n1)SCc2ccncc2)F 62a_200000093006_100015193705 [0,2,0,0,0,0|2,0,0]=4 2999 B17R2.5365 O=c1cc(c(c[nH]1)F)SCc2ccncc2 62a_100009817642_100015193705 [0,2,0,0,0,0|1,0,1]=4 3000 B17R2.5365 O=c1cc(c(c[nH]1)F)SCc2ccncc2 62a_100015193705_100009817642 [0,2,0,0,0,0|1,0,1]=4 3001 B17R2.5365 Oc1cc(c(nn1)O)SCc2ccncc2 62a_100015193705_100000759565 [0,2,0,0,0,0|2,0,0]=4 3002 B17R2.5365 Oc1ccc(c(c1)SCc2ccncc2)Br 62a_100012339312_100015193705 [0,2,0,0,0,0|2,0,0]=4 3003 B17R2.5365 Oc1ccc(c(c1)SCc2ccncc2)Br 62a_100015193705_100012339312 [0,2,0,0,0,0|2,0,0]=4 3004 B17R2.5365 Oc1ccc(c(c1)SCc2ccncc2)Cl 62a_100000049588_100015193705 [0,2,0,0,0,0|2,0,0]=4 3005 B17R2.5365 Oc1ccc(c(c1)SCc2ccncc2)Cl 62a_100015193705_100000049588 [0,2,0,0,0,0|2,0,0]=4 3006 B17R2.5365 Oc1ccc(c(c1)SCc2ccncc2)F 62a_100000693481_100015193705 [0,2,0,0,0,0|2,0,0]=4 3007 B17R2.5365 Oc1ccc(c(c1)SCc2ccncc2)F 62a_100015193705_100000693481 [0,2,0,0,0,0|2,0,0]=4 3008 B17R2.5365 Oc1ccc(c(c1)SCc2ccncc2)O 62a_100015193705_100009813629 [0,2,0,0,0,0|2,0,0]=4 3009 B17R2.5365 Oc1ccc(cc1CSc2ccncc2)F 62a_100000728582_100010161318 [0,2,0,0,0,0|2,0,0]=4 3010 B17R2.5365 Oc1ccc(cc1CSc2ccncc2)F 62a_100010161318_100000728582 [0,2,0,0,0,0|2,0,0]=4 3011 B17R2.5365 Oc1ccc(cc1SCc2ccncc2)Br 62a_100012355227_100015193705 [0,2,0,0,0,0|2,0,0]=4 3012 B17R2.5365 Oc1ccc(cc1SCc2ccncc2)Br 62a_100015193705_100012355227 [0,2,0,0,0,0|2,0,0]=4 3013 B17R2.5365 Oc1ccc(cc1SCc2ccncc2)Cl 62a_100011356953_100015193705 [0,2,0,0,0,0|2,0,0]=4 3014 B17R2.5365 Oc1ccc(cc1SCc2ccncc2)Cl 62a_100015193705_100011356953 [0,2,0,0,0,0|2,0,0]=4 3015 B17R2.5365 Oc1ccc(cc1SCc2ccncc2)F 62a_100000211999_100015193705 [0,2,0,0,0,0|2,0,0]=4 3016 B17R2.5365 Oc1ccc(cc1SCc2ccncc2)F 62a_100015193705_100000211999 [0,2,0,0,0,0|2,0,0]=4 3017 B17R2.5365 Oc1cnc(cc1SCc2ccccc2)Cl 62a_100000211182_100000698892 [0,2,0,0,0,0|2,0,0]=4 3018 B17R2.5365 Oc1cnc(cc1SCc2ccccc2)Cl 62a_100000698892_100015291786 [0,2,0,0,0,0|2,0,0]=4 3019 B17R2.5365 Oc1cnc(cc1SCc2ccncc2)Cl 62a_100000698892_100015193705 [0,2,0,0,0,0|1,0,0]=3 3020 B17R2.5365 Oc1cnc(cc1SCc2ccncc2)Cl 62a_100015193705_100000698892 [0,2,0,0,0,0|1,0,0]=3 3021 B17R2.41893 Brc1cc(ccn1)CNc2ccncc2Br 27a_100025757509_100000726257 [0,2,0,0,0,0|2,0,0]=4 3022 B17R2.41893 Brc1cc(ccn1)COc2ccncc2Br 34a_100011996408_100010243470 [0,2,0,0,0,0|1,1,0]=4 3023 B17R2.41893 Brc1cc(ccn1)CSc2ccccc2Br 62a_100000695589_100010243470 [0,2,0,0,0,0|2,0,0]=4 3024 B17R2.41893 Brc1cc(ccn1)CSc2ccccc2Br 62a_100010254460_100000695589 [0,2,0,0,0,0|2,0,0]=4 3025 B17R2.41893 Brc1cc(ccn1)CSc2ccncc2Br 62a_100000726257_100010243470 [0,2,0,0,0,0|1,0,0]=3 3026 B17R2.41893 Brc1cc(ccn1)CSc2ccncc2Br 62a_100010254460_100000726257 [0,2,0,0,0,0|1,0,0]=3 3027 B17R2.41893 Brc1cc(ccn1)SCc2ccccc2Br 62a_100000184730_100009814637 [0,2,0,0,0,0|2,0,0]=4 3028 B17R2.41893 Brc1cc(ccn1)SCc2ccccc2Br 62a_100009814637_100000184730 [0,2,0,0,0,0|2,0,0]=4 3029 B17R2.41893 Brc1cc(ccn1)SCc2ccccc2I 62a_100009814637_100011216222 [0,2,0,0,0,0|2,0,0]=4 3030 B17R2.41893 Brc1cc(ccn1)SCc2ccccc2I 62a_100011216222_100009814637 [0,2,0,0,0,0|2,0,0]=4 3031 B17R2.41893 Brc1cccc(c1)CSc2ccncc2Br 62a_100000211773_100000726257 [0,2,0,0,0,0|2,0,0]=4 3032 B17R2.41893 Brc1cccc(c1)CSc2ccncc2Br 62a_100000726257_100000211773 [0,2,0,0,0,0|2,0,0]=4 3033 B17R2.41893 Brc1cnccc1SCc2cccc(c2)I 62a_100000726257_100011218688 [0,2,0,0,0,0|2,0,0]=4 3034 B17R2.41893 Brc1cnccc1SCc2cccc(c2)I 62a_100011218688_100000726257 [0,2,0,0,0,0|2,0,0]=4 3035 B17R2.41893 Cc1cc(ccn1)CNc2ccncc2Br 27a_100011934566_100000726257 [0,2,0,0,0,0|2,0,0]=4 3036 B17R2.41893 Cc1cc(ccn1)CNc2ccncc2C 27a_100011934566_100000765111 [0,2,0,0,0,0|2,0,0]=4 3037 B17R2.41893 Cc1cc(ccn1)CNc2ccncc2F 27a_100011934566_100000035921 [0,2,0,0,0,0|2,0,0]=4 3038 B17R2.41893 Cc1cc(ccn1)COc2ccncc2Br 34a_100011996408_200020672517 [0,2,0,0,0,0|1,1,0]=4 3039 B17R2.41893 Cc1cc(ccn1)COc2ccncc2C 34a_100000694293_200020672517 [0,2,0,0,0,0|1,1,0]=4 3040 B17R2.41893 Cc1cc(ccn1)COc2ccncc2Cl 34a_100011997054_200020672517 [0,2,0,0,0,0|1,1,0]=4 3041 B17R2.41893 Cc1cc(ccn1)COc2ccncc2F 34a_200000081243_200020672517 [0,2,0,0,0,0|1,1,0]=4 3042 B17R2.41893 Cc1cc(ccn1)CSc2ccccc2Br 62a_100000695589_200020672517 [0,2,0,0,0,0|2,0,0]=4 3043 B17R2.41893 Cc1cc(ccn1)CSc2ccccc2Br 62a_200020672517_100000695589 [0,2,0,0,0,0|2,0,0]=4 3044 B17R2.41893 Cc1cc(ccn1)CSc2ccccc2C 62a_100000210755_200020672517 [0,2,0,0,0,0|2,0,0]=4 3045 B17R2.41893 Cc1cc(ccn1)CSc2ccccc2C 62a_200020672517_100000210755 [0,2,0,0,0,0|2,0,0]=4 3046 B17R2.41893 Cc1cc(ccn1)CSc2ccccc2Cl 62a_100000764095_200020672517 [0,2,0,0,0,0|2,0,0]=4 3047 B17R2.41893 Cc1cc(ccn1)CSc2ccccc2Cl 62a_200020672517_100000764095 [0,2,0,0,0,0|2,0,0]=4 3048 B17R2.41893 Cc1cc(ccn1)CSc2ccccc2F 62a_100011215700_200020672517 [0,2,0,0,0,0|2,0,0]=4 3049 B17R2.41893 Cc1cc(ccn1)CSc2ccccc2F 62a_200020672517_100011215700 [0,2,0,0,0,0|2,0,0]=4 3050 B17R2.41893 Cc1cc(ccn1)CSc2ccccc2N 62a_100000210017_200020672517 [0,2,0,0,0,0|2,0,0]=4 3051 B17R2.41893 Cc1cc(ccn1)CSc2ccccc2N 62a_200020672517_100000210017 [0,2,0,0,0,0|2,0,0]=4 3052 B17R2.41893 Cc1cc(ccn1)CSc2ccccc2O 62a_100000739446_200020672517 [0,2,0,0,0,0|2,0,0]=4 3053 B17R2.41893 Cc1cc(ccn1)CSc2ccccc2O 62a_200020672517_100000739446 [0,2,0,0,0,0|2,0,0]=4 3054 B17R2.41893 Cc1cc(ccn1)CSc2ccn[nH]c2=O 62a_200020672517_100000087129 [0,2,0,0,0,0|2,0,0]=4 3055 B17R2.41893 Cc1cc(ccn1)CSc2ccncc2Br 62a_100000726257_200020672517 [0,2,0,0,0,0|1,0,0]=3 3056 B17R2.41893 Cc1cc(ccn1)CSc2ccncc2Br 62a_200020672517_100000726257 [0,2,0,0,0,0|1,0,0]=3 3057 B17R2.41893 Cc1cc(ccn1)CSc2ccncc2C 62a_100000765111_200020672517 [0,2,0,0,0,0|1,0,0]=3 3058 B17R2.41893 Cc1cc(ccn1)CSc2ccncc2C 62a_200020672517_100000765111 [0,2,0,0,0,0|1,0,0]=3 3059 B17R2.41893 Cc1cc(ccn1)CSc2ccncc2Cl 62a_100000708259_200020672517 [0,2,0,0,0,0|1,0,0]=3 3060 B17R2.41893 Cc1cc(ccn1)CSc2ccncc2Cl 62a_200020672517_100000708259 [0,2,0,0,0,0|1,0,0]=3 3061 B17R2.41893 Cc1cc(ccn1)CSc2ccncc2F 62a_100000047030_200020672517 [0,2,0,0,0,0|1,0,0]=3 3062 B17R2.41893 Cc1cc(ccn1)CSc2ccncc2F 62a_200020672517_100000047030 [0,2,0,0,0,0|1,0,0]=3 3063 B17R2.41893 Cc1cc(ccn1)CSc2ccncc2N 62a_100000756074_200020672517 [0,2,0,0,0,0|1,0,0]=3 3064 B17R2.41893 Cc1cc(ccn1)CSc2ccncc2N 62a_200020672517_100000756074 [0,2,0,0,0,0|1,0,0]=3 3065 B17R2.41893 Cc1cc(ccn1)CSc2ccncc2O 62a_100009817591_200020672517 [0,2,0,0,0,0|1,0,0]=3 3066 B17R2.41893 Cc1cc(ccn1)CSc2ccncc2O 62a_200020672517_100009817591 [0,2,0,0,0,0|1,0,0]=3 3067 B17R2.41893 Cc1cc(ccn1)CSc2cnncc2N 62a_100009829405_200020672517 [0,2,0,0,0,0|2,0,0]=4 3068 B17R2.41893 Cc1cc(ccn1)CSc2cnncc2N 62a_200020672517_100009829405 [0,2,0,0,0,0|2,0,0]=4 3069 B17R2.41893 Cc1cc(ccn1)CSc2ncncc2C 62a_100011998708_200020672517 [0,2,0,0,0,0|2,0,0]=4 3070 B17R2.41893 Cc1cc(ccn1)CSc2ncncc2C 62a_200020672517_100011998708 [0,2,0,0,0,0|2,0,0]=4 3071 B17R2.41893 Cc1cc(ccn1)CSc2ncncc2F 62a_100000069762_200020672517 [0,2,0,0,0,0|2,0,0]=4 3072 B17R2.41893 Cc1cc(ccn1)CSc2ncncc2F 62a_200020672517_100000069762 [0,2,0,0,0,0|2,0,0]=4 3073 B17R2.41893 Cc1cc(ccn1)CSc2ncncc2N 62a_100000709731_200020672517 [0,2,0,0,0,0|2,0,0]=4 3074 B17R2.41893 Cc1cc(ccn1)CSc2ncncc2N 62a_200020672517_100000709731 [0,2,0,0,0,0|2,0,0]=4 3075 B17R2.41893 Cc1cc(ccn1)NCc2ccncc2Br 27a_100020640021_100000758586 [0,2,0,0,0,0|2,0,0]=4 3076 B17R2.41893 Cc1cc(ccn1)NCc2ccncc2C 27a_100000708811_100000758586 [0,2,0,0,0,0|2,0,0]=4 3077 B17R2.41893 Cc1cc(ccn1)NCc2ccncc2F 27a_100011935246_100000758586 [0,2,0,0,0,0|2,0,0]=4 3078 B17R2.41893 Cc1cc(ccn1)OCc2ccncc2C 34a_100000688365_100020672809 [0,2,0,0,0,0|1,1,0]=4 3079 B17R2.41893 Cc1cc(ccn1)SCc2ccccc2Br 62a_100000184730_100000758586 [0,2,0,0,0,0|2,0,0]=4 3080 B17R2.41893 Cc1cc(ccn1)SCc2ccccc2Br 62a_100000758586_100000184730 [0,2,0,0,0,0|2,0,0]=4 3081 B17R2.41893 Cc1cc(ccn1)SCc2ccccc2C 62a_100000211839_100000758586 [0,2,0,0,0,0|2,0,0]=4 3082 B17R2.41893 Cc1cc(ccn1)SCc2ccccc2C 62a_100000758586_100000211839 [0,2,0,0,0,0|2,0,0]=4 3083 B17R2.41893 Cc1cc(ccn1)SCc2ccccc2Cl 62a_100000187162_100000758586 [0,2,0,0,0,0|2,0,0]=4 3084 B17R2.41893 Cc1cc(ccn1)SCc2ccccc2Cl 62a_100000758586_100000187162 [0,2,0,0,0,0|2,0,0]=4 3085 B17R2.41893 Cc1cc(ccn1)SCc2ccccc2F 62a_100000211605_100000758586 [0,2,0,0,0,0|2,0,0]=4 3086 B17R2.41893 Cc1cc(ccn1)SCc2ccccc2F 62a_100000758586_100000211605 [0,2,0,0,0,0|2,0,0]=4 3087 B17R2.41893 Cc1cc(ccn1)SCc2ccccc2I 62a_100000758586_100011216222 [0,2,0,0,0,0|2,0,0]=4 3088 B17R2.41893 Cc1cc(ccn1)SCc2ccccc2I 62a_100011216222_100000758586 [0,2,0,0,0,0|2,0,0]=4 3089 B17R2.41893 Cc1cc(ccn1)SCc2ccncc2C 62a_100000758586_100020672808 [0,2,0,0,0,0|1,0,0]=3 3090 B17R2.41893 Cc1cc(ccn1)SCc2ccncc2C 62a_100020672808_100000758586 [0,2,0,0,0,0|1,0,0]=3 3091 B17R2.41893 Cc1cc(ccn1)SCc2ccncc2Cl 62a_100000758586_100000763264 [0,2,0,0,0,0|1,0,0]=3 3092 B17R2.41893 Cc1cc(ccn1)SCc2ccncc2Cl 62a_100000763264_100000758586 [0,2,0,0,0,0|1,0,0]=3 3093 B17R2.41893 Cc1cc(ncn1)SCc2ccncc2C 62a_100000744208_100020672808 [0,2,0,0,0,0|2,0,0]=4 3094 B17R2.41893 Cc1cc(ncn1)SCc2ccncc2C 62a_100020672808_100000744208 [0,2,0,0,0,0|2,0,0]=4 3095 B17R2.41893 Cc1cc(ncn1)SCc2ccncc2Cl 62a_100000744208_100000763264 [0,2,0,0,0,0|2,0,0]=4 3096 B17R2.41893 Cc1cc(ncn1)SCc2ccncc2Cl 62a_100000763264_100000744208 [0,2,0,0,0,0|2,0,0]=4 3097 B17R2.41893 Cc1cccc(c1)CSc2ccncc2Br 62a_100000211840_100000726257 [0,2,0,0,0,0|2,0,0]=4 3098 B17R2.41893 Cc1cccc(c1)CSc2ccncc2Br 62a_100000726257_100000211840 [0,2,0,0,0,0|2,0,0]=4 3099 B17R2.41893 Cc1cccc(c1)CSc2ccncc2C 62a_100000211840_100000765111 [0,2,0,0,0,0|2,0,0]=4 3100 B17R2.41893 Cc1cccc(c1)CSc2ccncc2C 62a_100000765111_100000211840 [0,2,0,0,0,0|2,0,0]=4 3101 B17R2.41893 Cc1cccc(c1)CSc2ccncc2Cl 62a_100000211840_100000708259 [0,2,0,0,0,0|2,0,0]=4 3102 B17R2.41893 Cc1cccc(c1)CSc2ccncc2Cl 62a_100000708259_100000211840 [0,2,0,0,0,0|2,0,0]=4 3103 B17R2.41893 Cc1cccc(c1)CSc2ccncc2F 62a_100000047030_100000211840 [0,2,0,0,0,0|2,0,0]=4 3104 B17R2.41893 Cc1cccc(c1)CSc2ccncc2F 62a_100000211840_100000047030 [0,2,0,0,0,0|2,0,0]=4 3105 B17R2.41893 Cc1cccc(c1)CSc2ccncc2N 62a_100000211840_100000756074 [0,2,0,0,0,0|2,0,0]=4 3106 B17R2.41893 Cc1cccc(c1)CSc2ccncc2N 62a_100000756074_100000211840 [0,2,0,0,0,0|2,0,0]=4 3107 B17R2.41893 Cc1cccc(c1)CSc2ccncc2O 62a_100000211840_100009817591 [0,2,0,0,0,0|2,0,0]=4 3108 B17R2.41893 Cc1cccc(c1)CSc2ccncc2O 62a_100009817591_100000211840 [0,2,0,0,0,0|2,0,0]=4 3109 B17R2.41893 Cc1cccc(c1)SCc2ccncc2C 62a_100011215228_100020672808 [0,2,0,0,0,0|2,0,0]=4 3110 B17R2.41893 Cc1cccc(c1)SCc2ccncc2C 62a_100020672808_100011215228 [0,2,0,0,0,0|2,0,0]=4 3111 B17R2.41893 Cc1cccc(c1)SCc2ccncc2Cl 62a_100000763264_100011215228 [0,2,0,0,0,0|2,0,0]=4 3112 B17R2.41893 Cc1cccc(c1)SCc2ccncc2Cl 62a_100011215228_100000763264 [0,2,0,0,0,0|2,0,0]=4 3113 B17R2.41893 Cc1ccccc1CSc2ccnc(c2)Br 62a_100000211839_100009814637 [0,2,0,0,0,0|2,0,0]=4 3114 B17R2.41893 Cc1ccccc1CSc2ccnc(c2)Br 62a_100009814637_100000211839 [0,2,0,0,0,0|2,0,0]=4 3115 B17R2.41893 Cc1ccccc1CSc2ccnc(c2)Cl 62a_100000035001_100000211839 [0,2,0,0,0,0|2,0,0]=4 3116 B17R2.41893 Cc1ccccc1CSc2ccnc(c2)Cl 62a_100000211839_100000035001 [0,2,0,0,0,0|2,0,0]=4 3117 B17R2.41893 Cc1ccccc1CSc2ccnc(c2)F 62a_100000211839_100009816116 [0,2,0,0,0,0|2,0,0]=4 3118 B17R2.41893 Cc1ccccc1CSc2ccnc(c2)F 62a_100009816116_100000211839 [0,2,0,0,0,0|2,0,0]=4 3119 B17R2.41893 Cc1ccccc1CSc2ccnc(c2)N 62a_100000049665_100000211839 [0,2,0,0,0,0|2,0,0]=4 3120 B17R2.41893 Cc1ccccc1CSc2ccnc(c2)N 62a_100000211839_100000049665 [0,2,0,0,0,0|2,0,0]=4 3121 B17R2.41893 Cc1ccccc1SCc2ccnc(c2)Br 62a_100000210755_100010243470 [0,2,0,0,0,0|2,0,0]=4 3122 B17R2.41893 Cc1ccccc1SCc2ccnc(c2)Br 62a_100010254460_100000210755 [0,2,0,0,0,0|2,0,0]=4 3123 B17R2.41893 Cc1ccccc1SCc2ccnc(c2)Cl 62a_100000210755_100000764220 [0,2,0,0,0,0|2,0,0]=4 3124 B17R2.41893 Cc1ccccc1SCc2ccnc(c2)Cl 62a_100000764220_100000210755 [0,2,0,0,0,0|2,0,0]=4 3125 B17R2.41893 Cc1cnccc1CNc2ccnc(c2)F 27a_100000708811_100009816116 [0,2,0,0,0,0|2,0,0]=4 3126 B17R2.41893 Cc1cnccc1COc2ccnc(c2)Cl 34a_100000762945_100020672809 [0,2,0,0,0,0|1,1,0]=4 3127 B17R2.41893 Cc1cnccc1COc2ccnc(c2)F 34a_100000732698_100020672809 [0,2,0,0,0,0|1,1,0]=4 3128 B17R2.41893 Cc1cnccc1COc2ccnc(c2)N 34a_100011834064_100020672809 [0,2,0,0,0,0|1,1,0]=4 3129 B17R2.41893 Cc1cnccc1CSc2cc(ncn2)Cl 62a_100010161198_100020672808 [0,2,0,0,0,0|2,0,0]=4 3130 B17R2.41893 Cc1cnccc1CSc2cc(ncn2)Cl 62a_100020672808_100010161198 [0,2,0,0,0,0|2,0,0]=4 3131 B17R2.41893 Cc1cnccc1CSc2cc(ncn2)F 62a_100020672808_200009880791 [0,2,0,0,0,0|2,0,0]=4 3132 B17R2.41893 Cc1cnccc1CSc2cc(ncn2)F 62a_200009880791_100020672808 [0,2,0,0,0,0|2,0,0]=4 3133 B17R2.41893 Cc1cnccc1CSc2cc(ncn2)N 62a_100000701291_100020672808 [0,2,0,0,0,0|2,0,0]=4 3134 B17R2.41893 Cc1cnccc1CSc2cc(ncn2)N 62a_100020672808_100000701291 [0,2,0,0,0,0|2,0,0]=4 3135 B17R2.41893 Cc1cnccc1CSc2cc(ncn2)O 62a_100020672808_100000765262 [0,2,0,0,0,0|2,0,0]=4 3136 B17R2.41893 Cc1cnccc1CSc2cc[nH]c(=O)c2 62a_100009816521_100020672808 [0,2,0,0,0,0|1,0,1]=4 3137 B17R2.41893 Cc1cnccc1CSc2cc[nH]c(=O)c2 62a_100020672808_100009816521 [0,2,0,0,0,0|1,0,1]=4 3138 B17R2.41893 Cc1cnccc1CSc2cccc(c2)Br 62a_100000691529_100020672808 [0,2,0,0,0,0|2,0,0]=4 3139 B17R2.41893 Cc1cnccc1CSc2cccc(c2)Br 62a_100020672808_100000691529 [0,2,0,0,0,0|2,0,0]=4 3140 B17R2.41893 Cc1cnccc1CSc2cccc(c2)Cl 62a_100000699651_100020672808 [0,2,0,0,0,0|2,0,0]=4 3141 B17R2.41893 Cc1cnccc1CSc2cccc(c2)Cl 62a_100020672808_100000699651 [0,2,0,0,0,0|2,0,0]=4 3142 B17R2.41893 Cc1cnccc1CSc2cccc(c2)F 62a_100000685547_100020672808 [0,2,0,0,0,0|2,0,0]=4 3143 B17R2.41893 Cc1cnccc1CSc2cccc(c2)F 62a_100020672808_100000685547 [0,2,0,0,0,0|2,0,0]=4 3144 B17R2.41893 Cc1cnccc1CSc2cccc(c2)N 62a_100000210019_100020672808 [0,2,0,0,0,0|2,0,0]=4 3145 B17R2.41893 Cc1cnccc1CSc2cccc(c2)N 62a_100020672808_100000210019 [0,2,0,0,0,0|2,0,0]=4 3146 B17R2.41893 Cc1cnccc1CSc2cccc(c2)O 62a_100020672808_100000211634 [0,2,0,0,0,0|2,0,0]=4 3147 B17R2.41893 Cc1cnccc1CSc2cccc(c2)[S] 62a_100020672808_114929384022 [0,2,0,0,0,0|2,0,0]=4 3148 B17R2.41893 Cc1cnccc1CSc2cccc(c2)[S] 62a_114929384022_100020672808 [0,2,0,0,0,0|2,0,0]=4 3149 B17R2.41893 Cc1cnccc1CSc2ccnc(c2)Br 62a_100009814637_100020672808 [0,2,0,0,0,0|1,0,0]=3 3150 B17R2.41893 Cc1cnccc1CSc2ccnc(c2)Br 62a_100020672808_100009814637 [0,2,0,0,0,0|1,0,0]=3 3151 B17R2.41893 Cc1cnccc1CSc2ccnc(c2)Cl 62a_100000035001_100020672808 [0,2,0,0,0,0|1,0,0]=3 3152 B17R2.41893 Cc1cnccc1CSc2ccnc(c2)Cl 62a_100020672808_100000035001 [0,2,0,0,0,0|1,0,0]=3 3153 B17R2.41893 Cc1cnccc1CSc2ccnc(c2)F 62a_100009816116_100020672808 [0,2,0,0,0,0|1,0,0]=3 3154 B17R2.41893 Cc1cnccc1CSc2ccnc(c2)F 62a_100020672808_100009816116 [0,2,0,0,0,0|1,0,0]=3 3155 B17R2.41893 Cc1cnccc1CSc2ccnc(c2)N 62a_100000049665_100020672808 [0,2,0,0,0,0|1,0,0]=3 3156 B17R2.41893 Cc1cnccc1CSc2ccnc(c2)N 62a_100020672808_100000049665 [0,2,0,0,0,0|1,0,0]=3 3157 B17R2.41893 Cc1cnccc1CSc2ccnc(n2)Cl 62a_100010154678_100020672808 [0,2,0,0,0,0|2,0,0]=4 3158 B17R2.41893 Cc1cnccc1CSc2ccnc(n2)Cl 62a_100020672808_100010154678 [0,2,0,0,0,0|2,0,0]=4 3159 B17R2.41893 Cc1cnccc1CSc2ccnc(n2)N 62a_100000055538_100020672808 [0,2,0,0,0,0|2,0,0]=4 3160 B17R2.41893 Cc1cnccc1CSc2ccnc(n2)N 62a_100020672808_100000055538 [0,2,0,0,0,0|2,0,0]=4 3161 B17R2.41893 Cc1cnccc1CSc2cnnc(c2)N 62a_100000130277_100020672808 [0,2,0,0,0,0|2,0,0]=4 3162 B17R2.41893 Cc1cnccc1CSc2cnnc(c2)N 62a_100020672808_100000130277 [0,2,0,0,0,0|2,0,0]=4 3163 B17R2.41893 Cc1cnccc1NCc2ccnc(c2)Br 27a_100025757509_100000765111 [0,2,0,0,0,0|2,0,0]=4 3164 B17R2.41893 Cc1cnccc1NCc2ccnc(c2)Cl 27a_100015205668_100000765111 [0,2,0,0,0,0|2,0,0]=4 3165 B17R2.41893 Cc1cnccc1NCc2ccnc(c2)F 27a_100015188774_100000765111 [0,2,0,0,0,0|2,0,0]=4 3166 B17R2.41893 Cc1cnccc1NCc2ccnc(c2)O 27a_100000748557_100000765111 [0,2,0,0,0,0|2,0,0]=4 3167 B17R2.41893 Cc1cnccc1OCc2ccnc(c2)Br 34a_100000694293_100010243470 [0,2,0,0,0,0|1,1,0]=4 3168 B17R2.41893 Cc1cnccc1OCc2ccnc(c2)Cl 34a_100000694293_100000764220 [0,2,0,0,0,0|1,1,0]=4 3169 B17R2.41893 Cc1cnccc1SCc2cccc(c2)Br 62a_100000211773_100000765111 [0,2,0,0,0,0|2,0,0]=4 3170 B17R2.41893 Cc1cnccc1SCc2cccc(c2)Br 62a_100000765111_100000211773 [0,2,0,0,0,0|2,0,0]=4 3171 B17R2.41893 Cc1cnccc1SCc2cccc(c2)Cl 62a_100000187163_100000765111 [0,2,0,0,0,0|2,0,0]=4 3172 B17R2.41893 Cc1cnccc1SCc2cccc(c2)Cl 62a_100000765111_100000187163 [0,2,0,0,0,0|2,0,0]=4 3173 B17R2.41893 Cc1cnccc1SCc2cccc(c2)F 62a_100000230114_100000765111 [0,2,0,0,0,0|2,0,0]=4 3174 B17R2.41893 Cc1cnccc1SCc2cccc(c2)F 62a_100000765111_100000230114 [0,2,0,0,0,0|2,0,0]=4 3175 B17R2.41893 Cc1cnccc1SCc2cccc(c2)I 62a_100000765111_100011218688 [0,2,0,0,0,0|2,0,0]=4 3176 B17R2.41893 Cc1cnccc1SCc2cccc(c2)I 62a_100011218688_100000765111 [0,2,0,0,0,0|2,0,0]=4 3177 B17R2.41893 Cc1cnccc1SCc2cccc(c2)O 62a_100000765111_100011660834 [0,2,0,0,0,0|2,0,0]=4 3178 B17R2.41893 Cc1cnccc1SCc2cccc(c2)O 62a_100011660834_100000765111 [0,2,0,0,0,0|2,0,0]=4 3179 B17R2.41893 Cc1cnccc1SCc2ccnc(c2)Br 62a_100000765111_100010243470 [0,2,0,0,0,0|1,0,0]=3 3180 B17R2.41893 Cc1cnccc1SCc2ccnc(c2)Br 62a_100010254460_100000765111 [0,2,0,0,0,0|1,0,0]=3 3181 B17R2.41893 Cc1cnccc1SCc2ccnc(c2)Cl 62a_100000764220_100000765111 [0,2,0,0,0,0|1,0,0]=3 3182 B17R2.41893 Cc1cnccc1SCc2ccnc(c2)Cl 62a_100000765111_100000764220 [0,2,0,0,0,0|1,0,0]=3 3183 B17R2.41893 Cc1cnccc1SCc2ccnc(n2)Cl 62a_100000099655_100000765111 [0,2,0,0,0,0|2,0,0]=4 3184 B17R2.41893 Cc1cnccc1SCc2ccnc(n2)Cl 62a_100000765111_100000099655 [0,2,0,0,0,0|2,0,0]=4 3185 B17R2.41893 Cc1cncnc1SCc2ccnc(c2)Br 62a_100010254460_100011998708 [0,2,0,0,0,0|2,0,0]=4 3186 B17R2.41893 Cc1cncnc1SCc2ccnc(c2)Br 62a_100011998708_100010243470 [0,2,0,0,0,0|2,0,0]=4 3187 B17R2.41893 Cc1cncnc1SCc2ccnc(c2)Cl 62a_100000764220_100011998708 [0,2,0,0,0,0|2,0,0]=4 3188 B17R2.41893 Cc1cncnc1SCc2ccnc(c2)Cl 62a_100011998708_100000764220 [0,2,0,0,0,0|2,0,0]=4 3189 B17R2.41893 Cc1nccc(n1)SCc2ccncc2C 62a_100000749937_100020672808 [0,2,0,0,0,0|2,0,0]=4 3190 B17R2.41893 Cc1nccc(n1)SCc2ccncc2C 62a_100020672808_100000749937 [0,2,0,0,0,0|2,0,0]=4 3191 B17R2.41893 Cc1nccc(n1)SCc2ccncc2Cl 62a_100000749937_100000763264 [0,2,0,0,0,0|2,0,0]=4 3192 B17R2.41893 Cc1nccc(n1)SCc2ccncc2Cl 62a_100000763264_100000749937 [0,2,0,0,0,0|2,0,0]=4 3193 B17R2.41893 Clc1cc(ccn1)CNc2ccncc2Br 27a_100015205668_100000726257 [0,2,0,0,0,0|2,0,0]=4 3194 B17R2.41893 Clc1cc(ccn1)COc2ccncc2Br 34a_100011996408_100000764220 [0,2,0,0,0,0|1,1,0]=4 3195 B17R2.41893 Clc1cc(ccn1)COc2ccncc2Cl 34a_100011997054_100000764220 [0,2,0,0,0,0|1,1,0]=4 3196 B17R2.41893 Clc1cc(ccn1)CSc2ccccc2Br 62a_100000695589_100000764220 [0,2,0,0,0,0|2,0,0]=4 3197 B17R2.41893 Clc1cc(ccn1)CSc2ccccc2Br 62a_100000764220_100000695589 [0,2,0,0,0,0|2,0,0]=4 3198 B17R2.41893 Clc1cc(ccn1)CSc2ccccc2Cl 62a_100000764095_100000764220 [0,2,0,0,0,0|2,0,0]=4 3199 B17R2.41893 Clc1cc(ccn1)CSc2ccccc2Cl 62a_100000764220_100000764095 [0,2,0,0,0,0|2,0,0]=4 3200 B17R2.41893 Clc1cc(ccn1)CSc2ccncc2Br 62a_100000726257_100000764220 [0,2,0,0,0,0|1,0,0]=3 3201 B17R2.41893 Clc1cc(ccn1)CSc2ccncc2Br 62a_100000764220_100000726257 [0,2,0,0,0,0|1,0,0]=3 3202 B17R2.41893 Clc1cc(ccn1)CSc2ccncc2Cl 62a_100000708259_100000764220 [0,2,0,0,0,0|1,0,0]=3 3203 B17R2.41893 Clc1cc(ccn1)CSc2ccncc2Cl 62a_100000764220_100000708259 [0,2,0,0,0,0|1,0,0]=3 3204 B17R2.41893 Clc1cc(ccn1)SCc2ccccc2Br 62a_100000035001_100000184730 [0,2,0,0,0,0|2,0,0]=4 3205 B17R2.41893 Clc1cc(ccn1)SCc2ccccc2Br 62a_100000184730_100000035001 [0,2,0,0,0,0|2,0,0]=4 3206 B17R2.41893 Clc1cc(ccn1)SCc2ccccc2Cl 62a_100000035001_100000187162 [0,2,0,0,0,0|2,0,0]=4 3207 B17R2.41893 Clc1cc(ccn1)SCc2ccccc2Cl 62a_100000187162_100000035001 [0,2,0,0,0,0|2,0,0]=4 3208 B17R2.41893 Clc1cc(ccn1)SCc2ccccc2I 62a_100000035001_100011216222 [0,2,0,0,0,0|2,0,0]=4 3209 B17R2.41893 Clc1cc(ccn1)SCc2ccccc2I 62a_100011216222_100000035001 [0,2,0,0,0,0|2,0,0]=4 3210 B17R2.41893 Clc1cc(ccn1)SCc2ccncc2Cl 62a_100000035001_100000763264 [0,2,0,0,0,0|1,0,0]=3 3211 B17R2.41893 Clc1cc(ccn1)SCc2ccncc2Cl 62a_100000763264_100000035001 [0,2,0,0,0,0|1,0,0]=3 3212 B17R2.41893 Clc1cc(ncn1)SCc2ccncc2Cl 62a_100000763264_100010161198 [0,2,0,0,0,0|2,0,0]=4 3213 B17R2.41893 Clc1cc(ncn1)SCc2ccncc2Cl 62a_100010161198_100000763264 [0,2,0,0,0,0|2,0,0]=4 3214 B17R2.41893 Clc1cccc(c1)CSc2ccncc2Br 62a_100000187163_100000726257 [0,2,0,0,0,0|2,0,0]=4 3215 B17R2.41893 Clc1cccc(c1)CSc2ccncc2Br 62a_100000726257_100000187163 [0,2,0,0,0,0|2,0,0]=4 3216 B17R2.41893 Clc1cccc(c1)CSc2ccncc2Cl 62a_100000187163_100000708259 [0,2,0,0,0,0|2,0,0]=4 3217 B17R2.41893 Clc1cccc(c1)CSc2ccncc2Cl 62a_100000708259_100000187163 [0,2,0,0,0,0|2,0,0]=4 3218 B17R2.41893 Clc1cccc(c1)SCc2ccncc2Cl 62a_100000699651_100000763264 [0,2,0,0,0,0|2,0,0]=4 3219 B17R2.41893 Clc1cccc(c1)SCc2ccncc2Cl 62a_100000763264_100000699651 [0,2,0,0,0,0|2,0,0]=4 3220 B17R2.41893 Clc1ccccc1CSc2ccnc(c2)Br 62a_100000187162_100009814637 [0,2,0,0,0,0|2,0,0]=4 3221 B17R2.41893 Clc1ccccc1CSc2ccnc(c2)Br 62a_100009814637_100000187162 [0,2,0,0,0,0|2,0,0]=4 3222 B17R2.41893 Clc1ccccc1SCc2ccnc(c2)Br 62a_100000764095_100010243470 [0,2,0,0,0,0|2,0,0]=4 3223 B17R2.41893 Clc1ccccc1SCc2ccnc(c2)Br 62a_100010254460_100000764095 [0,2,0,0,0,0|2,0,0]=4 3224 B17R2.41893 Clc1cnccc1CSc2cccc(c2)Br 62a_100000691529_100000763264 [0,2,0,0,0,0|2,0,0]=4 3225 B17R2.41893 Clc1cnccc1CSc2cccc(c2)Br 62a_100000763264_100000691529 [0,2,0,0,0,0|2,0,0]=4 3226 B17R2.41893 Clc1cnccc1CSc2ccnc(c2)Br 62a_100000763264_100009814637 [0,2,0,0,0,0|1,0,0]=3 3227 B17R2.41893 Clc1cnccc1CSc2ccnc(c2)Br 62a_100009814637_100000763264 [0,2,0,0,0,0|1,0,0]=3 3228 B17R2.41893 Clc1cnccc1OCc2ccnc(c2)Br 34a_100011997054_100010243470 [0,2,0,0,0,0|1,1,0]=4 3229 B17R2.41893 Clc1cnccc1SCc2cccc(c2)Br 62a_100000211773_100000708259 [0,2,0,0,0,0|2,0,0]=4 3230 B17R2.41893 Clc1cnccc1SCc2cccc(c2)Br 62a_100000708259_100000211773 [0,2,0,0,0,0|2,0,0]=4 3231 B17R2.41893 Clc1cnccc1SCc2cccc(c2)I 62a_100000708259_100011218688 [0,2,0,0,0,0|2,0,0]=4 3232 B17R2.41893 Clc1cnccc1SCc2cccc(c2)I 62a_100011218688_100000708259 [0,2,0,0,0,0|2,0,0]=4 3233 B17R2.41893 Clc1cnccc1SCc2ccnc(c2)Br 62a_100000708259_100010243470 [0,2,0,0,0,0|1,0,0]=3 3234 B17R2.41893 Clc1cnccc1SCc2ccnc(c2)Br 62a_100010254460_100000708259 [0,2,0,0,0,0|1,0,0]=3 3235 B17R2.41893 Clc1nccc(n1)CSc2ccncc2Br 62a_100000099655_100000726257 [0,2,0,0,0,0|2,0,0]=4 3236 B17R2.41893 Clc1nccc(n1)CSc2ccncc2Br 62a_100000726257_100000099655 [0,2,0,0,0,0|2,0,0]=4 3237 B17R2.41893 Clc1nccc(n1)CSc2ccncc2Cl 62a_100000099655_100000708259 [0,2,0,0,0,0|2,0,0]=4 3238 B17R2.41893 Clc1nccc(n1)CSc2ccncc2Cl 62a_100000708259_100000099655 [0,2,0,0,0,0|2,0,0]=4 3239 B17R2.41893 Clc1nccc(n1)SCc2ccncc2Cl 62a_100000763264_100010154678 [0,2,0,0,0,0|2,0,0]=4 3240 B17R2.41893 Clc1nccc(n1)SCc2ccncc2Cl 62a_100010154678_100000763264 [0,2,0,0,0,0|2,0,0]=4 3241 B17R2.41893 Fc1cc(ccn1)CNc2ccncc2Br 27a_100015188774_100000726257 [0,2,0,0,0,0|2,0,0]=4 3242 B17R2.41893 Fc1cc(ccn1)CNc2ccncc2F 27a_100015188774_100000035921 [0,2,0,0,0,0|2,0,0]=4 3243 B17R2.41893 Fc1cc(ccn1)NCc2ccncc2Br 27a_100020640021_100009816116 [0,2,0,0,0,0|2,0,0]=4 3244 B17R2.41893 Fc1cc(ccn1)NCc2ccncc2F 27a_100011935246_100009816116 [0,2,0,0,0,0|2,0,0]=4 3245 B17R2.41893 Fc1cc(ccn1)SCc2ccccc2Br 62a_100000184730_100009816116 [0,2,0,0,0,0|2,0,0]=4 3246 B17R2.41893 Fc1cc(ccn1)SCc2ccccc2Br 62a_100009816116_100000184730 [0,2,0,0,0,0|2,0,0]=4 3247 B17R2.41893 Fc1cc(ccn1)SCc2ccccc2Cl 62a_100000187162_100009816116 [0,2,0,0,0,0|2,0,0]=4 3248 B17R2.41893 Fc1cc(ccn1)SCc2ccccc2Cl 62a_100009816116_100000187162 [0,2,0,0,0,0|2,0,0]=4 3249 B17R2.41893 Fc1cc(ccn1)SCc2ccccc2F 62a_100000211605_100009816116 [0,2,0,0,0,0|2,0,0]=4 3250 B17R2.41893 Fc1cc(ccn1)SCc2ccccc2F 62a_100009816116_100000211605 [0,2,0,0,0,0|2,0,0]=4 3251 B17R2.41893 Fc1cc(ccn1)SCc2ccccc2I 62a_100009816116_100011216222 [0,2,0,0,0,0|2,0,0]=4 3252 B17R2.41893 Fc1cc(ccn1)SCc2ccccc2I 62a_100011216222_100009816116 [0,2,0,0,0,0|2,0,0]=4 3253 B17R2.41893 Fc1cc(ccn1)SCc2ccncc2Cl 62a_100000763264_100009816116 [0,2,0,0,0,0|1,0,0]=3 3254 B17R2.41893 Fc1cc(ccn1)SCc2ccncc2Cl 62a_100009816116_100000763264 [0,2,0,0,0,0|1,0,0]=3 3255 B17R2.41893 Fc1cc(ncn1)SCc2ccncc2Cl 62a_100000763264_200009880791 [0,2,0,0,0,0|2,0,0]=4 3256 B17R2.41893 Fc1cc(ncn1)SCc2ccncc2Cl 62a_200009880791_100000763264 [0,2,0,0,0,0|2,0,0]=4 3257 B17R2.41893 Fc1cccc(c1)CSc2ccncc2Br 62a_100000230114_100000726257 [0,2,0,0,0,0|2,0,0]=4 3258 B17R2.41893 Fc1cccc(c1)CSc2ccncc2Br 62a_100000726257_100000230114 [0,2,0,0,0,0|2,0,0]=4 3259 B17R2.41893 Fc1cccc(c1)CSc2ccncc2Cl 62a_100000230114_100000708259 [0,2,0,0,0,0|2,0,0]=4 3260 B17R2.41893 Fc1cccc(c1)CSc2ccncc2Cl 62a_100000708259_100000230114 [0,2,0,0,0,0|2,0,0]=4 3261 B17R2.41893 Fc1cccc(c1)CSc2ccncc2F 62a_100000047030_100000230114 [0,2,0,0,0,0|2,0,0]=4 3262 B17R2.41893 Fc1cccc(c1)CSc2ccncc2F 62a_100000230114_100000047030 [0,2,0,0,0,0|2,0,0]=4 3263 B17R2.41893 Fc1cccc(c1)SCc2ccncc2Cl 62a_100000685547_100000763264 [0,2,0,0,0,0|2,0,0]=4 3264 B17R2.41893 Fc1cccc(c1)SCc2ccncc2Cl 62a_100000763264_100000685547 [0,2,0,0,0,0|2,0,0]=4 3265 B17R2.41893 Fc1ccccc1CSc2ccnc(c2)Br 62a_100000211605_100009814637 [0,2,0,0,0,0|2,0,0]=4 3266 B17R2.41893 Fc1ccccc1CSc2ccnc(c2)Br 62a_100009814637_100000211605 [0,2,0,0,0,0|2,0,0]=4 3267 B17R2.41893 Fc1ccccc1CSc2ccnc(c2)Cl 62a_100000035001_100000211605 [0,2,0,0,0,0|2,0,0]=4 3268 B17R2.41893 Fc1ccccc1CSc2ccnc(c2)Cl 62a_100000211605_100000035001 [0,2,0,0,0,0|2,0,0]=4 3269 B17R2.41893 Fc1ccccc1SCc2ccnc(c2)Br 62a_100010254460_100011215700 [0,2,0,0,0,0|2,0,0]=4 3270 B17R2.41893 Fc1ccccc1SCc2ccnc(c2)Br 62a_100011215700_100010243470 [0,2,0,0,0,0|2,0,0]=4 3271 B17R2.41893 Fc1ccccc1SCc2ccnc(c2)Cl 62a_100000764220_100011215700 [0,2,0,0,0,0|2,0,0]=4 3272 B17R2.41893 Fc1ccccc1SCc2ccnc(c2)Cl 62a_100011215700_100000764220 [0,2,0,0,0,0|2,0,0]=4 3273 B17R2.41893 Fc1cnccc1NCc2ccnc(c2)Br 27a_100025757509_100000035921 [0,2,0,0,0,0|2,0,0]=4 3274 B17R2.41893 Fc1cnccc1NCc2ccnc(c2)Cl 27a_100015205668_100000035921 [0,2,0,0,0,0|2,0,0]=4 3275 B17R2.41893 Fc1cnccc1OCc2ccnc(c2)Br 34a_200000081243_100010243470 [0,2,0,0,0,0|1,1,0]=4 3276 B17R2.41893 Fc1cnccc1OCc2ccnc(c2)Cl 34a_200000081243_100000764220 [0,2,0,0,0,0|1,1,0]=4 3277 B17R2.41893 Fc1cnccc1SCc2cccc(c2)Br 62a_100000047030_100000211773 [0,2,0,0,0,0|2,0,0]=4 3278 B17R2.41893 Fc1cnccc1SCc2cccc(c2)Br 62a_100000211773_100000047030 [0,2,0,0,0,0|2,0,0]=4 3279 B17R2.41893 Fc1cnccc1SCc2cccc(c2)Cl 62a_100000047030_100000187163 [0,2,0,0,0,0|2,0,0]=4 3280 B17R2.41893 Fc1cnccc1SCc2cccc(c2)Cl 62a_100000187163_100000047030 [0,2,0,0,0,0|2,0,0]=4 3281 B17R2.41893 Fc1cnccc1SCc2cccc(c2)I 62a_100000047030_100011218688 [0,2,0,0,0,0|2,0,0]=4 3282 B17R2.41893 Fc1cnccc1SCc2cccc(c2)I 62a_100011218688_100000047030 [0,2,0,0,0,0|2,0,0]=4 3283 B17R2.41893 Fc1cnccc1SCc2ccnc(c2)Br 62a_100000047030_100010243470 [0,2,0,0,0,0|1,0,0]=3 3284 B17R2.41893 Fc1cnccc1SCc2ccnc(c2)Br 62a_100010254460_100000047030 [0,2,0,0,0,0|1,0,0]=3 3285 B17R2.41893 Fc1cnccc1SCc2ccnc(c2)Cl 62a_100000047030_100000764220 [0,2,0,0,0,0|1,0,0]=3 3286 B17R2.41893 Fc1cnccc1SCc2ccnc(c2)Cl 62a_100000764220_100000047030 [0,2,0,0,0,0|1,0,0]=3 3287 B17R2.41893 Fc1cnccc1SCc2ccnc(n2)Cl 62a_100000047030_100000099655 [0,2,0,0,0,0|2,0,0]=4 3288 B17R2.41893 Fc1cnccc1SCc2ccnc(n2)Cl 62a_100000099655_100000047030 [0,2,0,0,0,0|2,0,0]=4 3289 B17R2.41893 Fc1cncnc1SCc2ccnc(c2)Br 62a_100000069762_100010243470 [0,2,0,0,0,0|2,0,0]=4 3290 B17R2.41893 Fc1cncnc1SCc2ccnc(c2)Br 62a_100010254460_100000069762 [0,2,0,0,0,0|2,0,0]=4 3291 B17R2.41893 Fc1cncnc1SCc2ccnc(c2)Cl 62a_100000069762_100000764220 [0,2,0,0,0,0|2,0,0]=4 3292 B17R2.41893 Fc1cncnc1SCc2ccnc(c2)Cl 62a_100000764220_100000069762 [0,2,0,0,0,0|2,0,0]=4 3293 B17R2.41893 Nc1cc(ccn1)SCc2ccccc2Br 62a_100000049665_100000184730 [0,2,0,0,0,0|2,0,0]=4 3294 B17R2.41893 Nc1cc(ccn1)SCc2ccccc2Br 62a_100000184730_100000049665 [0,2,0,0,0,0|2,0,0]=4 3295 B17R2.41893 Nc1cc(ccn1)SCc2ccccc2Cl 62a_100000049665_100000187162 [0,2,0,0,0,0|2,0,0]=4 3296 B17R2.41893 Nc1cc(ccn1)SCc2ccccc2Cl 62a_100000187162_100000049665 [0,2,0,0,0,0|2,0,0]=4 3297 B17R2.41893 Nc1cc(ccn1)SCc2ccccc2F 62a_100000049665_100000211605 [0,2,0,0,0,0|2,0,0]=4 3298 B17R2.41893 Nc1cc(ccn1)SCc2ccccc2F 62a_100000211605_100000049665 [0,2,0,0,0,0|2,0,0]=4 3299 B17R2.41893 Nc1cc(ccn1)SCc2ccccc2I 62a_100000049665_100011216222 [0,2,0,0,0,0|2,0,0]=4 3300 B17R2.41893 Nc1cc(ccn1)SCc2ccccc2I 62a_100011216222_100000049665 [0,2,0,0,0,0|2,0,0]=4 3301 B17R2.41893 Nc1cc(ccn1)SCc2ccncc2Cl 62a_100000049665_100000763264 [0,2,0,0,0,0|1,0,0]=3 3302 B17R2.41893 Nc1cc(ccn1)SCc2ccncc2Cl 62a_100000763264_100000049665 [0,2,0,0,0,0|1,0,0]=3 3303 B17R2.41893 Nc1cc(cnn1)SCc2ccncc2Cl 62a_100000130277_100000763264 [0,2,0,0,0,0|2,0,0]=4 3304 B17R2.41893 Nc1cc(cnn1)SCc2ccncc2Cl 62a_100000763264_100000130277 [0,2,0,0,0,0|2,0,0]=4 3305 B17R2.41893 Nc1cc(ncn1)SCc2ccncc2Cl 62a_100000701291_100000763264 [0,2,0,0,0,0|2,0,0]=4 3306 B17R2.41893 Nc1cc(ncn1)SCc2ccncc2Cl 62a_100000763264_100000701291 [0,2,0,0,0,0|2,0,0]=4 3307 B17R2.41893 Nc1cccc(c1)SCc2ccncc2Cl 62a_100000210019_100000763264 [0,2,0,0,0,0|2,0,0]=4 3308 B17R2.41893 Nc1cccc(c1)SCc2ccncc2Cl 62a_100000763264_100000210019 [0,2,0,0,0,0|2,0,0]=4 3309 B17R2.41893 Nc1ccccc1SCc2ccnc(c2)Br 62a_100000210017_100010243470 [0,2,0,0,0,0|2,0,0]=4 3310 B17R2.41893 Nc1ccccc1SCc2ccnc(c2)Br 62a_100010254460_100000210017 [0,2,0,0,0,0|2,0,0]=4 3311 B17R2.41893 Nc1ccccc1SCc2ccnc(c2)Cl 62a_100000210017_100000764220 [0,2,0,0,0,0|2,0,0]=4 3312 B17R2.41893 Nc1ccccc1SCc2ccnc(c2)Cl 62a_100000764220_100000210017 [0,2,0,0,0,0|2,0,0]=4 3313 B17R2.41893 Nc1cnccc1SCc2cccc(c2)Br 62a_100000211773_100000756074 [0,2,0,0,0,0|2,0,0]=4 3314 B17R2.41893 Nc1cnccc1SCc2cccc(c2)Br 62a_100000756074_100000211773 [0,2,0,0,0,0|2,0,0]=4 3315 B17R2.41893 Nc1cnccc1SCc2cccc(c2)Cl 62a_100000187163_100000756074 [0,2,0,0,0,0|2,0,0]=4 3316 B17R2.41893 Nc1cnccc1SCc2cccc(c2)Cl 62a_100000756074_100000187163 [0,2,0,0,0,0|2,0,0]=4 3317 B17R2.41893 Nc1cnccc1SCc2cccc(c2)F 62a_100000230114_100000756074 [0,2,0,0,0,0|2,0,0]=4 3318 B17R2.41893 Nc1cnccc1SCc2cccc(c2)F 62a_100000756074_100000230114 [0,2,0,0,0,0|2,0,0]=4 3319 B17R2.41893 Nc1cnccc1SCc2cccc(c2)I 62a_100000756074_100011218688 [0,2,0,0,0,0|2,0,0]=4 3320 B17R2.41893 Nc1cnccc1SCc2cccc(c2)I 62a_100011218688_100000756074 [0,2,0,0,0,0|2,0,0]=4 3321 B17R2.41893 Nc1cnccc1SCc2cccc(c2)O 62a_100000756074_100011660834 [0,2,0,0,0,0|2,0,0]=4 3322 B17R2.41893 Nc1cnccc1SCc2cccc(c2)O 62a_100011660834_100000756074 [0,2,0,0,0,0|2,0,0]=4 3323 B17R2.41893 Nc1cnccc1SCc2ccnc(c2)Br 62a_100000756074_100010243470 [0,2,0,0,0,0|1,0,0]=3 3324 B17R2.41893 Nc1cnccc1SCc2ccnc(c2)Br 62a_100010254460_100000756074 [0,2,0,0,0,0|1,0,0]=3 3325 B17R2.41893 Nc1cnccc1SCc2ccnc(c2)Cl 62a_100000756074_100000764220 [0,2,0,0,0,0|1,0,0]=3 3326 B17R2.41893 Nc1cnccc1SCc2ccnc(c2)Cl 62a_100000764220_100000756074 [0,2,0,0,0,0|1,0,0]=3 3327 B17R2.41893 Nc1cnccc1SCc2ccnc(n2)Cl 62a_100000099655_100000756074 [0,2,0,0,0,0|2,0,0]=4 3328 B17R2.41893 Nc1cnccc1SCc2ccnc(n2)Cl 62a_100000756074_100000099655 [0,2,0,0,0,0|2,0,0]=4 3329 B17R2.41893 Nc1cncnc1SCc2ccnc(c2)Br 62a_100000709731_100010243470 [0,2,0,0,0,0|2,0,0]=4 3330 B17R2.41893 Nc1cncnc1SCc2ccnc(c2)Br 62a_100010254460_100000709731 [0,2,0,0,0,0|2,0,0]=4 3331 B17R2.41893 Nc1cncnc1SCc2ccnc(c2)Cl 62a_100000709731_100000764220 [0,2,0,0,0,0|2,0,0]=4 3332 B17R2.41893 Nc1cncnc1SCc2ccnc(c2)Cl 62a_100000764220_100000709731 [0,2,0,0,0,0|2,0,0]=4 3333 B17R2.41893 Nc1cnncc1SCc2ccnc(c2)Br 62a_100009829405_100010243470 [0,2,0,0,0,0|2,0,0]=4 3334 B17R2.41893 Nc1cnncc1SCc2ccnc(c2)Br 62a_100010254460_100009829405 [0,2,0,0,0,0|2,0,0]=4 3335 B17R2.41893 Nc1cnncc1SCc2ccnc(c2)Cl 62a_100000764220_100009829405 [0,2,0,0,0,0|2,0,0]=4 3336 B17R2.41893 Nc1cnncc1SCc2ccnc(c2)Cl 62a_100009829405_100000764220 [0,2,0,0,0,0|2,0,0]=4 3337 B17R2.41893 Nc1nccc(n1)SCc2ccncc2Cl 62a_100000055538_100000763264 [0,2,0,0,0,0|2,0,0]=4 3338 B17R2.41893 Nc1nccc(n1)SCc2ccncc2Cl 62a_100000763264_100000055538 [0,2,0,0,0,0|2,0,0]=4 3339 B17R2.41893 O=c1[nH]nccc1SCc2ccnc(c2)Br 62a_100010254460_100000087129 [0,2,0,0,0,0|2,0,0]=4 3340 B17R2.41893 O=c1[nH]nccc1SCc2ccnc(c2)Cl 62a_100000764220_100000087129 [0,2,0,0,0,0|2,0,0]=4 3341 B17R2.41893 O=c1cc(cc[nH]1)SCc2ccncc2Cl 62a_100000763264_100009816521 [0,2,0,0,0,0|1,0,1]=4 3342 B17R2.41893 O=c1cc(cc[nH]1)SCc2ccncc2Cl 62a_100009816521_100000763264 [0,2,0,0,0,0|1,0,1]=4 3343 B17R2.41893 Oc1cc(ccn1)CNc2ccncc2Br 27a_100000748557_100000726257 [0,2,0,0,0,0|2,0,0]=4 3344 B17R2.41893 Oc1cc(ccn1)CNc2ccncc2F 27a_100000748557_100000035921 [0,2,0,0,0,0|2,0,0]=4 3345 B17R2.41893 Oc1cc(ncn1)SCc2ccncc2Cl 62a_100000763264_100000765262 [0,2,0,0,0,0|2,0,0]=4 3346 B17R2.41893 Oc1cccc(c1)CSc2ccncc2Br 62a_100000726257_100011660834 [0,2,0,0,0,0|2,0,0]=4 3347 B17R2.41893 Oc1cccc(c1)CSc2ccncc2Br 62a_100011660834_100000726257 [0,2,0,0,0,0|2,0,0]=4 3348 B17R2.41893 Oc1cccc(c1)CSc2ccncc2Cl 62a_100000708259_100011660834 [0,2,0,0,0,0|2,0,0]=4 3349 B17R2.41893 Oc1cccc(c1)CSc2ccncc2Cl 62a_100011660834_100000708259 [0,2,0,0,0,0|2,0,0]=4 3350 B17R2.41893 Oc1cccc(c1)CSc2ccncc2F 62a_100000047030_100011660834 [0,2,0,0,0,0|2,0,0]=4 3351 B17R2.41893 Oc1cccc(c1)CSc2ccncc2F 62a_100011660834_100000047030 [0,2,0,0,0,0|2,0,0]=4 3352 B17R2.41893 Oc1cccc(c1)CSc2ccncc2O 62a_100009817591_100011660834 [0,2,0,0,0,0|2,0,0]=4 3353 B17R2.41893 Oc1cccc(c1)CSc2ccncc2O 62a_100011660834_100009817591 [0,2,0,0,0,0|2,0,0]=4 3354 B17R2.41893 Oc1cccc(c1)SCc2ccncc2Cl 62a_100000763264_100000211634 [0,2,0,0,0,0|2,0,0]=4 3355 B17R2.41893 Oc1ccccc1SCc2ccnc(c2)Br 62a_100000739446_100010243470 [0,2,0,0,0,0|2,0,0]=4 3356 B17R2.41893 Oc1ccccc1SCc2ccnc(c2)Br 62a_100010254460_100000739446 [0,2,0,0,0,0|2,0,0]=4 3357 B17R2.41893 Oc1ccccc1SCc2ccnc(c2)Cl 62a_100000739446_100000764220 [0,2,0,0,0,0|2,0,0]=4 3358 B17R2.41893 Oc1ccccc1SCc2ccnc(c2)Cl 62a_100000764220_100000739446 [0,2,0,0,0,0|2,0,0]=4 3359 B17R2.41893 Oc1cnccc1SCc2cccc(c2)Br 62a_100000211773_100009817591 [0,2,0,0,0,0|2,0,0]=4 3360 B17R2.41893 Oc1cnccc1SCc2cccc(c2)Br 62a_100009817591_100000211773 [0,2,0,0,0,0|2,0,0]=4 3361 B17R2.41893 Oc1cnccc1SCc2cccc(c2)Cl 62a_100000187163_100009817591 [0,2,0,0,0,0|2,0,0]=4 3362 B17R2.41893 Oc1cnccc1SCc2cccc(c2)Cl 62a_100009817591_100000187163 [0,2,0,0,0,0|2,0,0]=4 3363 B17R2.41893 Oc1cnccc1SCc2cccc(c2)F 62a_100000230114_100009817591 [0,2,0,0,0,0|2,0,0]=4 3364 B17R2.41893 Oc1cnccc1SCc2cccc(c2)F 62a_100009817591_100000230114 [0,2,0,0,0,0|2,0,0]=4 3365 B17R2.41893 Oc1cnccc1SCc2cccc(c2)I 62a_100009817591_100011218688 [0,2,0,0,0,0|2,0,0]=4 3366 B17R2.41893 Oc1cnccc1SCc2cccc(c2)I 62a_100011218688_100009817591 [0,2,0,0,0,0|2,0,0]=4 3367 B17R2.41893 Oc1cnccc1SCc2ccnc(c2)Br 62a_100009817591_100010243470 [0,2,0,0,0,0|1,0,0]=3 3368 B17R2.41893 Oc1cnccc1SCc2ccnc(c2)Br 62a_100010254460_100009817591 [0,2,0,0,0,0|1,0,0]=3 3369 B17R2.41893 Oc1cnccc1SCc2ccnc(c2)Cl 62a_100000764220_100009817591 [0,2,0,0,0,0|1,0,0]=3 3370 B17R2.41893 Oc1cnccc1SCc2ccnc(c2)Cl 62a_100009817591_100000764220 [0,2,0,0,0,0|1,0,0]=3 3371 B17R2.41893 Oc1cnccc1SCc2ccnc(n2)Cl 62a_100000099655_100009817591 [0,2,0,0,0,0|2,0,0]=4 3372 B17R2.41893 Oc1cnccc1SCc2ccnc(n2)Cl 62a_100009817591_100000099655 [0,2,0,0,0,0|2,0,0]=4 3373 B17R2.41893 [S]c1cccc(c1)SCc2ccncc2Cl 62a_100000763264_114929384022 [0,2,0,0,0,0|2,0,0]=4 3374 B17R2.41893 [S]c1cccc(c1)SCc2ccncc2Cl 62a_114929384022_100000763264 [0,2,0,0,0,0|2,0,0]=4 3375 B17R2.162 C=CC(Sc1ccncc1)c2ccccc2 62a_100000728582_200000085779 [0,2,0,0,0,0|2,0,0]=4 3376 B17R2.162 C=CC(Sc1ccncc1)c2ccccc2 62a_200000085779_100000728582 [0,2,0,0,0,0|2,0,0]=4 3377 B17R2.192 CC(Sc1ccncc1)c2ccc(cc2)Br 62a_100000728582_100000755118 [0,2,0,0,0,0|2,0,0]=4 3378 B17R2.192 CC(Sc1ccncc1)c2ccc(cc2)Br 62a_100000755118_100000728582 [0,2,0,0,0,0|2,0,0]=4 3379 B17R2.192 CC(Sc1ccncc1)c2ccc(cc2)Cl 62a_100000684792_100000728582 [0,2,0,0,0,0|2,0,0]=4 3380 B17R2.192 CC(Sc1ccncc1)c2ccc(cc2)Cl 62a_100000728582_100000684792 [0,2,0,0,0,0|2,0,0]=4 3381 B17R2.192 CC(Sc1ccncc1)c2ccc(cc2)F 62a_100000728582_100000743420 [0,2,0,0,0,0|2,0,0]=4 3382 B17R2.192 CC(Sc1ccncc1)c2ccc(cc2)F 62a_100000743420_100000728582 [0,2,0,0,0,0|2,0,0]=4 3383 B17R2.192 Cc1ccc(cc1)C(C)Sc2ccncc2 62a_100000728582_100011261388 [0,2,0,0,0,0|2,0,0]=4 3384 B17R2.192 Cc1ccc(cc1)C(C)Sc2ccncc2 62a_100011261388_100000728582 [0,2,0,0,0,0|2,0,0]=4 3385 B17R2.5273 CN(Cc1ccncc1)c2ccnc(c2)F 27a_100000187231_100009816116 [0,2,0,0,0,0|2,0,0]=4 3386 B17R2.5273 Cc1cc(ccn1)N(C)Cc2ccncc2 27a_100000187231_100000758586 [0,2,0,0,0,0|2,0,0]=4 3387 B17R2.5293 CC(Nc1ccnc(c1)F)c2ccncc2 27a_100000181269_100009816116 [0,2,0,0,0,0|2,0,0]=4 3388 B17R2.5293 CC(Sc1ccnc(c1)Br)c2ccccc2 62a_100000230085_100009814637 [0,2,0,0,0,0|2,0,0]=4 3389 B17R2.5293 CC(Sc1ccnc(c1)Br)c2ccccc2 62a_100009814637_100000230085 [0,2,0,0,0,0|2,0,0]=4 3390 B17R2.5293 CC(Sc1ccnc(c1)Cl)c2ccccc2 62a_100000035001_100000230085 [0,2,0,0,0,0|2,0,0]=4 3391 B17R2.5293 CC(Sc1ccnc(c1)Cl)c2ccccc2 62a_100000230085_100000035001 [0,2,0,0,0,0|2,0,0]=4 3392 B17R2.5293 CC(Sc1ccnc(c1)F)c2ccccc2 62a_100000230085_100009816116 [0,2,0,0,0,0|2,0,0]=4 3393 B17R2.5293 CC(Sc1ccnc(c1)F)c2ccccc2 62a_100009816116_100000230085 [0,2,0,0,0,0|2,0,0]=4 3394 B17R2.5293 CC(Sc1ccnc(c1)N)c2ccccc2 62a_100000049665_100000230085 [0,2,0,0,0,0|2,0,0]=4 3395 B17R2.5293 CC(Sc1ccnc(c1)N)c2ccccc2 62a_100000230085_100000049665 [0,2,0,0,0,0|2,0,0]=4 3396 B17R2.5293 Cc1cc(ccn1)NC(C)c2ccncc2 27a_100000181269_100000758586 [0,2,0,0,0,0|2,0,0]=4 3397 B17R2.5293 Cc1cc(ccn1)SC(C)c2ccccc2 62a_100000230085_100000758586 [0,2,0,0,0,0|2,0,0]=4 3398 B17R2.5293 Cc1cc(ccn1)SC(C)c2ccccc2 62a_100000758586_100000230085 [0,2,0,0,0,0|2,0,0]=4 3399 B17R2.20249 CC(C)(Sc1ccncc1)c2ccccc2 62a_100000034625_100000728582 [0,2,0,0,0,0|2,0,0]=4 3400 B17R2.20249 CC(C)(Sc1ccncc1)c2ccccc2 62a_100000728582_100000034625 [0,2,0,0,0,0|2,0,0]=4 3401 B17R2.20249 FC(F)(Sc1ccncc1)c2ccccc2 62a_100000728582_100000036403 [0,2,0,0,0,0|2,0,0]=4 3402 B17R2.48 C#Cc1ccc(cc1)CSc2ccncc2 62a_100000728582_100000140223 [0,2,0,0,0,0|2,0,0]=4 3403 B17R2.48 C=Cc1ccc(cc1)CSc2ccncc2 62a_100000034074_100000728582 [0,2,0,0,0,0|2,0,0]=4 3404 B17R2.48 C=Cc1ccc(cc1)CSc2ccncc2 62a_100000728582_100000034074 [0,2,0,0,0,0|2,0,0]=4 3405 B17R2.48 C=Cc1ccc(cc1)SCc2ccncc2 62a_100000748128_100015193705 [0,2,0,0,0,0|2,0,0]=4 3406 B17R2.48 C=Cc1ccc(cc1)SCc2ccncc2 62a_100015193705_100000748128 [0,2,0,0,0,0|2,0,0]=4 3407 B17R2.48 CCc1ccc(cc1)CSc2ccncc2 62a_100000728582_100000747183 [0,2,0,0,0,0|2,0,0]=4 3408 B17R2.48 CCc1ccc(cc1)CSc2ccncc2 62a_100000757233_100000728582 [0,2,0,0,0,0|2,0,0]=4 3409 B17R2.48 CCc1ccc(cc1)SCc2ccncc2 62a_100011215824_100015193705 [0,2,0,0,0,0|2,0,0]=4 3410 B17R2.48 CCc1ccc(cc1)SCc2ccncc2 62a_100015193705_100011215824 [0,2,0,0,0,0|2,0,0]=4 3411 B17R2.48 CNc1ccc(cc1)SCc2ccncc2 62a_100000743151_100015193705 [0,2,0,0,0,0|2,0,0]=4 3412 B17R2.48 CNc1ccc(cc1)SCc2ccncc2 62a_100015193705_100000743151 [0,2,0,0,0,0|2,0,0]=4 3413 B17R2.48 COc1ccc(cc1)CSc2ccncc2 62a_100000728582_100000742318 [0,2,0,0,0,0|2,0,0]=4 3414 B17R2.48 COc1ccc(cc1)SCc2ccncc2 62a_100015193705_100000171711 [0,2,0,0,0,0|2,0,0]=4 3415 B17R2.48 CSc1ccc(cc1)CSc2ccncc2 62a_100000181263_100000728582 [0,2,0,0,0,0|2,0,0]=4 3416 B17R2.48 CSc1ccc(cc1)CSc2ccncc2 62a_100000728582_100000181263 [0,2,0,0,0,0|2,0,0]=4 3417 B17R2.48 CSc1ccc(cc1)SCc2ccncc2 62a_100011263217_100015193705 [0,2,0,0,0,0|2,0,0]=4 3418 B17R2.48 CSc1ccc(cc1)SCc2ccncc2 62a_100015193705_100011263217 [0,2,0,0,0,0|2,0,0]=4 3419 B17R2.48 FCc1ccc(cc1)SCc2ccncc2 62a_100010268989_100015193705 [0,2,0,0,0,0|2,0,0]=4 3420 B17R2.48 FCc1ccc(cc1)SCc2ccncc2 62a_100015193705_100010268989 [0,2,0,0,0,0|2,0,0]=4 3421 B17R2.48 N#Cc1ccc(cc1)CSc2ccncc2 62a_100000728582_100000184898 [0,2,0,0,0,0|2,0,0]=4 3422 B17R2.48 N#Cc1ccc(cc1)SCc2ccncc2 62a_100015193705_100000184291 [0,2,0,0,0,0|2,0,0]=4 3423 B17R2.48 NCc1ccc(cc1)SCc2ccncc2 62a_100015193705_100016989417 [0,2,0,0,0,0|2,0,0]=4 3424 B17R2.48 NCc1ccc(cc1)SCc2ccncc2 62a_100016989417_100015193705 [0,2,0,0,0,0|2,0,0]=4 3425 B17R2.48 NNc1ccc(cc1)SCc2ccncc2 62a_100015193705_100016988836 [0,2,0,0,0,0|2,0,0]=4 3426 B17R2.48 NNc1ccc(cc1)SCc2ccncc2 62a_100016988836_100015193705 [0,2,0,0,0,0|2,0,0]=4 3427 B17R2.48 O=Cc1ccc(cc1)CSc2ccncc2 62a_100000728582_100009816848 [0,2,0,0,0,0|2,0,0]=4 3428 B17R2.48 O=Cc1ccc(cc1)CSc2ccncc2 62a_100009816848_100000728582 [0,2,0,0,0,0|2,0,0]=4 3429 B17R2.48 O=Cc1ccc(cc1)SCc2ccncc2 62a_100000188517_100015193705 [0,2,0,0,0,0|2,0,0]=4 3430 B17R2.48 O=Cc1ccc(cc1)SCc2ccncc2 62a_100015193705_100000188517 [0,2,0,0,0,0|2,0,0]=4 3431 B17R2.48 OCc1ccc(cc1)CSc2ccncc2 62a_100000067286_100000728582 [0,2,0,0,0,0|2,0,0]=4 3432 B17R2.48 OCc1ccc(cc1)CSc2ccncc2 62a_100000728582_100000067286 [0,2,0,0,0,0|2,0,0]=4 3433 B17R2.48 OCc1ccc(cc1)SCc2ccncc2 62a_100000690907_100015193705 [0,2,0,0,0,0|2,0,0]=4 3434 B17R2.48 OCc1ccc(cc1)SCc2ccncc2 62a_100015193705_100000690907 [0,2,0,0,0,0|2,0,0]=4 3435 B17R2.193 Brc1ccc(cc1Br)CSc2ccncc2 62a_100000728582_100012353900 [0,2,0,0,0,0|2,0,0]=4 3436 B17R2.193 Brc1ccc(cc1Br)CSc2ccncc2 62a_100012353900_100000728582 [0,2,0,0,0,0|2,0,0]=4 3437 B17R2.193 Brc1ccc(cc1Br)SCc2ccncc2 62a_100012356285_100015193705 [0,2,0,0,0,0|2,0,0]=4 3438 B17R2.193 Brc1ccc(cc1Br)SCc2ccncc2 62a_100015193705_100012356285 [0,2,0,0,0,0|2,0,0]=4 3439 B17R2.193 Brc1ccc(cc1I)CSc2ccncc2 62a_100000728582_100010146616 [0,2,0,0,0,0|2,0,0]=4 3440 B17R2.193 Brc1ccc(cc1I)CSc2ccncc2 62a_100010146616_100000728582 [0,2,0,0,0,0|2,0,0]=4 3441 B17R2.193 Cc1cc(ccc1Br)CSc2ccncc2 62a_100000727479_100000728582 [0,2,0,0,0,0|2,0,0]=4 3442 B17R2.193 Cc1cc(ccc1Br)CSc2ccncc2 62a_100000728582_100000727479 [0,2,0,0,0,0|2,0,0]=4 3443 B17R2.193 Cc1cc(ccc1Br)SCc2ccncc2 62a_100009813585_100015193705 [0,2,0,0,0,0|2,0,0]=4 3444 B17R2.193 Cc1cc(ccc1Br)SCc2ccncc2 62a_100015193705_100009813585 [0,2,0,0,0,0|2,0,0]=4 3445 B17R2.193 Cc1cc(ccc1Cl)CSc2ccncc2 62a_100000728582_100012184735 [0,2,0,0,0,0|2,0,0]=4 3446 B17R2.193 Cc1cc(ccc1Cl)CSc2ccncc2 62a_100012184735_100000728582 [0,2,0,0,0,0|2,0,0]=4 3447 B17R2.193 Cc1cc(ccc1Cl)SCc2ccncc2 62a_100000049509_100015193705 [0,2,0,0,0,0|2,0,0]=4 3448 B17R2.193 Cc1cc(ccc1Cl)SCc2ccncc2 62a_100015193705_100000049509 [0,2,0,0,0,0|2,0,0]=4 3449 B17R2.193 Cc1cc(ccc1F)CSc2ccncc2 62a_100000728582_100011216667 [0,2,0,0,0,0|2,0,0]=4 3450 B17R2.193 Cc1cc(ccc1F)CSc2ccncc2 62a_100011216667_100000728582 [0,2,0,0,0,0|2,0,0]=4 3451 B17R2.193 Cc1cc(ccc1F)SCc2ccncc2 62a_100011218330_100015193705 [0,2,0,0,0,0|2,0,0]=4 3452 B17R2.193 Cc1cc(ccc1F)SCc2ccncc2 62a_100015193705_100011218330 [0,2,0,0,0,0|2,0,0]=4 3453 B17R2.193 Cc1cc(ccc1N)SCc2ccncc2 62a_100000211769_100015193705 [0,2,0,0,0,0|2,0,0]=4 3454 B17R2.193 Cc1cc(ccc1N)SCc2ccncc2 62a_100015193705_100000211769 [0,2,0,0,0,0|2,0,0]=4 3455 B17R2.193 Cc1cc(ccc1O)SCc2ccncc2 62a_100015193705_100000186361 [0,2,0,0,0,0|2,0,0]=4 3456 B17R2.193 Cc1ccc(cc1Br)CSc2ccncc2 62a_100000728582_100012232412 [0,2,0,0,0,0|2,0,0]=4 3457 B17R2.193 Cc1ccc(cc1Br)CSc2ccncc2 62a_100012232412_100000728582 [0,2,0,0,0,0|2,0,0]=4 3458 B17R2.193 Cc1ccc(cc1Br)SCc2ccncc2 62a_100011847877_100015193705 [0,2,0,0,0,0|2,0,0]=4 3459 B17R2.193 Cc1ccc(cc1Br)SCc2ccncc2 62a_100015193705_100011847877 [0,2,0,0,0,0|2,0,0]=4 3460 B17R2.193 Cc1ccc(cc1C)CSc2ccncc2 62a_100000728582_100000742320 [0,2,0,0,0,0|2,0,0]=4 3461 B17R2.193 Cc1ccc(cc1C)CSc2ccncc2 62a_100000742320_100000728582 [0,2,0,0,0,0|2,0,0]=4 3462 B17R2.193 Cc1ccc(cc1C)SCc2ccncc2 62a_100011215607_100015193705 [0,2,0,0,0,0|2,0,0]=4 3463 B17R2.193 Cc1ccc(cc1C)SCc2ccncc2 62a_100015193705_100011215607 [0,2,0,0,0,0|2,0,0]=4 3464 B17R2.193 Cc1ccc(cc1Cl)CSc2ccncc2 62a_100000728582_100011823929 [0,2,0,0,0,0|2,0,0]=4 3465 B17R2.193 Cc1ccc(cc1Cl)CSc2ccncc2 62a_100011823929_100000728582 [0,2,0,0,0,0|2,0,0]=4 3466 B17R2.193 Cc1ccc(cc1Cl)SCc2ccncc2 62a_100011216363_100015193705 [0,2,0,0,0,0|2,0,0]=4 3467 B17R2.193 Cc1ccc(cc1Cl)SCc2ccncc2 62a_100015193705_100011216363 [0,2,0,0,0,0|2,0,0]=4 3468 B17R2.193 Cc1ccc(cc1F)CSc2ccncc2 62a_100000728582_100011217369 [0,2,0,0,0,0|2,0,0]=4 3469 B17R2.193 Cc1ccc(cc1F)CSc2ccncc2 62a_100011217369_100000728582 [0,2,0,0,0,0|2,0,0]=4 3470 B17R2.193 Cc1ccc(cc1F)SCc2ccncc2 62a_100000720648_100015193705 [0,2,0,0,0,0|2,0,0]=4 3471 B17R2.193 Cc1ccc(cc1F)SCc2ccncc2 62a_100015193705_100000720648 [0,2,0,0,0,0|2,0,0]=4 3472 B17R2.193 Cc1ccc(cc1I)CSc2ccncc2 62a_100000728582_100010206137 [0,2,0,0,0,0|2,0,0]=4 3473 B17R2.193 Cc1ccc(cc1I)CSc2ccncc2 62a_100010206137_100000728582 [0,2,0,0,0,0|2,0,0]=4 3474 B17R2.193 Cc1ccc(cc1N)SCc2ccncc2 62a_100000761890_100015193705 [0,2,0,0,0,0|2,0,0]=4 3475 B17R2.193 Cc1ccc(cc1N)SCc2ccncc2 62a_100015193705_100000761890 [0,2,0,0,0,0|2,0,0]=4 3476 B17R2.193 Cc1ccc(cc1O)SCc2ccncc2 62a_100000685420_100015193705 [0,2,0,0,0,0|2,0,0]=4 3477 B17R2.193 Cc1ccc(cc1O)SCc2ccncc2 62a_100015193705_100000685420 [0,2,0,0,0,0|2,0,0]=4 3478 B17R2.193 Clc1cc(ccc1Br)CSc2ccncc2 62a_100000728582_100012353895 [0,2,0,0,0,0|2,0,0]=4 3479 B17R2.193 Clc1cc(ccc1Br)CSc2ccncc2 62a_100012353895_100000728582 [0,2,0,0,0,0|2,0,0]=4 3480 B17R2.193 Clc1cc(ccc1Br)SCc2ccncc2 62a_100012047281_100015193705 [0,2,0,0,0,0|2,0,0]=4 3481 B17R2.193 Clc1cc(ccc1Br)SCc2ccncc2 62a_100015193705_100012047281 [0,2,0,0,0,0|2,0,0]=4 3482 B17R2.193 Clc1cc(ccc1I)CSc2ccncc2 62a_100000728582_100012349665 [0,2,0,0,0,0|2,0,0]=4 3483 B17R2.193 Clc1cc(ccc1I)CSc2ccncc2 62a_100012349665_100000728582 [0,2,0,0,0,0|2,0,0]=4 3484 B17R2.193 Clc1ccc(cc1Br)CSc2ccncc2 62a_100000728582_100012353894 [0,2,0,0,0,0|2,0,0]=4 3485 B17R2.193 Clc1ccc(cc1Br)CSc2ccncc2 62a_100012353894_100000728582 [0,2,0,0,0,0|2,0,0]=4 3486 B17R2.193 Clc1ccc(cc1Br)SCc2ccncc2 62a_100012353702_100015193705 [0,2,0,0,0,0|2,0,0]=4 3487 B17R2.193 Clc1ccc(cc1Br)SCc2ccncc2 62a_100015193705_100012353702 [0,2,0,0,0,0|2,0,0]=4 3488 B17R2.193 Clc1ccc(cc1Cl)CSc2ccncc2 62a_100000184707_100000728582 [0,2,0,0,0,0|2,0,0]=4 3489 B17R2.193 Clc1ccc(cc1Cl)CSc2ccncc2 62a_100000728582_100000184707 [0,2,0,0,0,0|2,0,0]=4 3490 B17R2.193 Clc1ccc(cc1Cl)SCc2ccncc2 62a_100011214914_100015193705 [0,2,0,0,0,0|2,0,0]=4 3491 B17R2.193 Clc1ccc(cc1Cl)SCc2ccncc2 62a_100015193705_100011214914 [0,2,0,0,0,0|2,0,0]=4 3492 B17R2.193 Cn1ccc(cc1=O)SCc2ccncc2 62a_100009820031_100015193705 [0,2,0,0,0,0|1,0,1]=4 3493 B17R2.193 Cn1ccc(cc1=O)SCc2ccncc2 62a_100015193705_100009820031 [0,2,0,0,0,0|1,0,1]=4 3494 B17R2.193 Fc1cc(ccc1Br)CSc2ccncc2 62a_100000728582_100000767054 [0,2,0,0,0,0|2,0,0]=4 3495 B17R2.193 Fc1cc(ccc1Br)CSc2ccncc2 62a_100000767054_100000728582 [0,2,0,0,0,0|2,0,0]=4 3496 B17R2.193 Fc1cc(ccc1Br)SCc2ccncc2 62a_100000685389_100015193705 [0,2,0,0,0,0|2,0,0]=4 3497 B17R2.193 Fc1cc(ccc1Br)SCc2ccncc2 62a_100015193705_100000685389 [0,2,0,0,0,0|2,0,0]=4 3498 B17R2.193 Fc1cc(ccc1Cl)CSc2ccncc2 62a_100000716492_100000728582 [0,2,0,0,0,0|2,0,0]=4 3499 B17R2.193 Fc1cc(ccc1Cl)CSc2ccncc2 62a_100000728582_100000716492 [0,2,0,0,0,0|2,0,0]=4 3500 B17R2.193 Fc1cc(ccc1Cl)SCc2ccncc2 62a_100011216805_100015193705 [0,2,0,0,0,0|2,0,0]=4 3501 B17R2.193 Fc1cc(ccc1Cl)SCc2ccncc2 62a_100015193705_100011216805 [0,2,0,0,0,0|2,0,0]=4 3502 B17R2.193 Fc1cc(ccc1I)CSc2ccncc2 62a_100000728582_100010149604 [0,2,0,0,0,0|2,0,0]=4 3503 B17R2.193 Fc1cc(ccc1I)CSc2ccncc2 62a_100010149604_100000728582 [0,2,0,0,0,0|2,0,0]=4 3504 B17R2.193 Fc1ccc(cc1Br)CSc2ccncc2 62a_100000728582_100011206884 [0,2,0,0,0,0|2,0,0]=4 3505 B17R2.193 Fc1ccc(cc1Br)CSc2ccncc2 62a_100011206884_100000728582 [0,2,0,0,0,0|2,0,0]=4 3506 B17R2.193 Fc1ccc(cc1Br)SCc2ccncc2 62a_100012047266_100015193705 [0,2,0,0,0,0|2,0,0]=4 3507 B17R2.193 Fc1ccc(cc1Br)SCc2ccncc2 62a_100015193705_100012047266 [0,2,0,0,0,0|2,0,0]=4 3508 B17R2.193 Fc1ccc(cc1Cl)CSc2ccncc2 62a_100000717365_100000728582 [0,2,0,0,0,0|2,0,0]=4 3509 B17R2.193 Fc1ccc(cc1Cl)CSc2ccncc2 62a_100000728582_100011934319 [0,2,0,0,0,0|2,0,0]=4 3510 B17R2.193 Fc1ccc(cc1Cl)SCc2ccncc2 62a_100011215976_100015193705 [0,2,0,0,0,0|2,0,0]=4 3511 B17R2.193 Fc1ccc(cc1Cl)SCc2ccncc2 62a_100015193705_100011215976 [0,2,0,0,0,0|2,0,0]=4 3512 B17R2.193 Fc1ccc(cc1F)CSc2ccncc2 62a_100000728582_100000757363 [0,2,0,0,0,0|2,0,0]=4 3513 B17R2.193 Fc1ccc(cc1F)CSc2ccncc2 62a_100000757363_100000728582 [0,2,0,0,0,0|2,0,0]=4 3514 B17R2.193 Fc1ccc(cc1F)SCc2ccncc2 62a_100000703953_100015193705 [0,2,0,0,0,0|2,0,0]=4 3515 B17R2.193 Fc1ccc(cc1F)SCc2ccncc2 62a_100015193705_100000703953 [0,2,0,0,0,0|2,0,0]=4 3516 B17R2.193 Fc1ccc(cc1I)CSc2ccncc2 62a_100000728582_100010188208 [0,2,0,0,0,0|2,0,0]=4 3517 B17R2.193 Fc1ccc(cc1I)CSc2ccncc2 62a_100010188208_100000728582 [0,2,0,0,0,0|2,0,0]=4 3518 B17R2.193 Nc1cc(ccc1Br)SCc2ccncc2 62a_100000750456_100015193705 [0,2,0,0,0,0|2,0,0]=4 3519 B17R2.193 Nc1cc(ccc1Br)SCc2ccncc2 62a_100015193705_100000750456 [0,2,0,0,0,0|2,0,0]=4 3520 B17R2.193 Nc1cc(ccc1Cl)SCc2ccncc2 62a_100015193705_200000761891 [0,2,0,0,0,0|2,0,0]=4 3521 B17R2.193 Nc1cc(ccc1Cl)SCc2ccncc2 62a_200000761891_100015193705 [0,2,0,0,0,0|2,0,0]=4 3522 B17R2.193 Nc1cc(ccc1F)SCc2ccncc2 62a_100000740924_100015193705 [0,2,0,0,0,0|2,0,0]=4 3523 B17R2.193 Nc1cc(ccc1F)SCc2ccncc2 62a_100015193705_100000740924 [0,2,0,0,0,0|2,0,0]=4 3524 B17R2.193 Nc1cc(ccc1O)SCc2ccncc2 62a_100000752626_100015193705 [0,2,0,0,0,0|2,0,0]=4 3525 B17R2.193 Nc1cc(ccc1O)SCc2ccncc2 62a_100015193705_100000752626 [0,2,0,0,0,0|2,0,0]=4 3526 B17R2.193 Nc1ccc(cc1Br)SCc2ccncc2 62a_100000750455_100015193705 [0,2,0,0,0,0|2,0,0]=4 3527 B17R2.193 Nc1ccc(cc1Br)SCc2ccncc2 62a_100015193705_100000750455 [0,2,0,0,0,0|2,0,0]=4 3528 B17R2.193 Nc1ccc(cc1Cl)SCc2ccncc2 62a_100011218065_100015193705 [0,2,0,0,0,0|2,0,0]=4 3529 B17R2.193 Nc1ccc(cc1Cl)SCc2ccncc2 62a_100015193705_100011218065 [0,2,0,0,0,0|2,0,0]=4 3530 B17R2.193 Nc1ccc(cc1F)SCc2ccncc2 62a_100011215594_100015193705 [0,2,0,0,0,0|2,0,0]=4 3531 B17R2.193 Nc1ccc(cc1F)SCc2ccncc2 62a_100015193705_100011215594 [0,2,0,0,0,0|2,0,0]=4 3532 B17R2.193 Nc1ccc(cc1N)SCc2ccncc2 62a_100000741789_100015193705 [0,2,0,0,0,0|2,0,0]=4 3533 B17R2.193 Nc1ccc(cc1N)SCc2ccncc2 62a_100015193705_100011534411 [0,2,0,0,0,0|2,0,0]=4 3534 B17R2.193 Nc1ccc(cc1O)SCc2ccncc2 62a_100000739049_100015193705 [0,2,0,0,0,0|2,0,0]=4 3535 B17R2.193 Nc1ccc(cc1O)SCc2ccncc2 62a_100015193705_100000739049 [0,2,0,0,0,0|2,0,0]=4 3536 B17R2.193 Oc1cc(ccc1Br)SCc2ccncc2 62a_100012356990_100015193705 [0,2,0,0,0,0|2,0,0]=4 3537 B17R2.193 Oc1cc(ccc1Br)SCc2ccncc2 62a_100015193705_100012356990 [0,2,0,0,0,0|2,0,0]=4 3538 B17R2.193 Oc1cc(ccc1Cl)SCc2ccncc2 62a_100011356854_100015193705 [0,2,0,0,0,0|2,0,0]=4 3539 B17R2.193 Oc1cc(ccc1Cl)SCc2ccncc2 62a_100015193705_100011356854 [0,2,0,0,0,0|2,0,0]=4 3540 B17R2.193 Oc1cc(ccc1F)SCc2ccncc2 62a_100000686035_100015193705 [0,2,0,0,0,0|2,0,0]=4 3541 B17R2.193 Oc1cc(ccc1F)SCc2ccncc2 62a_100015193705_100000686035 [0,2,0,0,0,0|2,0,0]=4 3542 B17R2.193 Oc1ccc(cc1Br)SCc2ccncc2 62a_100012361655_100015193705 [0,2,0,0,0,0|2,0,0]=4 3543 B17R2.193 Oc1ccc(cc1Br)SCc2ccncc2 62a_100015193705_100012361655 [0,2,0,0,0,0|2,0,0]=4 3544 B17R2.193 Oc1ccc(cc1Cl)SCc2ccncc2 62a_100012360047_100015193705 [0,2,0,0,0,0|2,0,0]=4 3545 B17R2.193 Oc1ccc(cc1Cl)SCc2ccncc2 62a_100015193705_100012360047 [0,2,0,0,0,0|2,0,0]=4 3546 B17R2.193 Oc1ccc(cc1F)SCc2ccncc2 62a_100000185481_100015193705 [0,2,0,0,0,0|2,0,0]=4 3547 B17R2.193 Oc1ccc(cc1F)SCc2ccncc2 62a_100015193705_100000185481 [0,2,0,0,0,0|2,0,0]=4 3548 B17R2.193 Oc1ccc(cc1O)SCc2ccncc2 62a_100015193705_100009813601 [0,2,0,0,0,0|2,0,0]=4 3549 B17R2.215 Brc1cc(ccn1)SCc2ccc(cc2)I 62a_100000189116_100009814637 [0,2,0,0,0,0|2,0,0]=4 3550 B17R2.215 Brc1cc(ccn1)SCc2ccc(cc2)I 62a_100009814637_100000189116 [0,2,0,0,0,0|2,0,0]=4 3551 B17R2.215 Brc1ccc(cc1)CSc2ccnc(c2)Br 62a_100000189115_100009814637 [0,2,0,0,0,0|2,0,0]=4 3552 B17R2.215 Brc1ccc(cc1)CSc2ccnc(c2)Br 62a_100009814637_100000189115 [0,2,0,0,0,0|2,0,0]=4 3553 B17R2.215 Brc1ccc(cc1)SCc2ccnc(c2)Br 62a_100000752885_100010243470 [0,2,0,0,0,0|2,0,0]=4 3554 B17R2.215 Brc1ccc(cc1)SCc2ccnc(c2)Br 62a_100010254460_100000752885 [0,2,0,0,0,0|2,0,0]=4 3555 B17R2.215 Cc1cc(ccn1)CSc2cc[n+](cc2)[O-] 62a_200020672517_100000039755 [0,2,0,0,0,0|1,0,1]=4 3556 B17R2.215 Cc1cc(ccn1)CSc2ccc(cc2)Br 62a_100000752885_200020672517 [0,2,0,0,0,0|2,0,0]=4 3557 B17R2.215 Cc1cc(ccn1)CSc2ccc(cc2)Br 62a_200020672517_100000752885 [0,2,0,0,0,0|2,0,0]=4 3558 B17R2.215 Cc1cc(ccn1)CSc2ccc(cc2)Cl 62a_100000755918_200020672517 [0,2,0,0,0,0|2,0,0]=4 3559 B17R2.215 Cc1cc(ccn1)CSc2ccc(cc2)Cl 62a_200020672517_100000755918 [0,2,0,0,0,0|2,0,0]=4 3560 B17R2.215 Cc1cc(ccn1)CSc2ccc(cc2)F 62a_100000211213_200020672517 [0,2,0,0,0,0|2,0,0]=4 3561 B17R2.215 Cc1cc(ccn1)CSc2ccc(cc2)F 62a_200020672517_100000211213 [0,2,0,0,0,0|2,0,0]=4 3562 B17R2.215 Cc1cc(ccn1)CSc2ccc(cc2)N 62a_100000185761_200020672517 [0,2,0,0,0,0|2,0,0]=4 3563 B17R2.215 Cc1cc(ccn1)CSc2ccc(cc2)N 62a_200020672517_100000185761 [0,2,0,0,0,0|2,0,0]=4 3564 B17R2.215 Cc1cc(ccn1)CSc2ccc(cc2)O 62a_200020672517_100000185759 [0,2,0,0,0,0|2,0,0]=4 3565 B17R2.215 Cc1cc(ccn1)SCc2ccc(cc2)Br 62a_100000189115_100000758586 [0,2,0,0,0,0|2,0,0]=4 3566 B17R2.215 Cc1cc(ccn1)SCc2ccc(cc2)Br 62a_100000758586_100000189115 [0,2,0,0,0,0|2,0,0]=4 3567 B17R2.215 Cc1cc(ccn1)SCc2ccc(cc2)Cl 62a_100000187161_100000758586 [0,2,0,0,0,0|2,0,0]=4 3568 B17R2.215 Cc1cc(ccn1)SCc2ccc(cc2)Cl 62a_100000758586_100000187161 [0,2,0,0,0,0|2,0,0]=4 3569 B17R2.215 Cc1cc(ccn1)SCc2ccc(cc2)F 62a_100000198546_100000758586 [0,2,0,0,0,0|2,0,0]=4 3570 B17R2.215 Cc1cc(ccn1)SCc2ccc(cc2)F 62a_100000758586_100000187164 [0,2,0,0,0,0|2,0,0]=4 3571 B17R2.215 Cc1cc(ccn1)SCc2ccc(cc2)I 62a_100000189116_100000758586 [0,2,0,0,0,0|2,0,0]=4 3572 B17R2.215 Cc1cc(ccn1)SCc2ccc(cc2)I 62a_100000758586_100000189116 [0,2,0,0,0,0|2,0,0]=4 3573 B17R2.215 Cc1ccc(cc1)CSc2ccnc(c2)Br 62a_100000210814_100009814637 [0,2,0,0,0,0|2,0,0]=4 3574 B17R2.215 Cc1ccc(cc1)CSc2ccnc(c2)Br 62a_100009814637_100000210814 [0,2,0,0,0,0|2,0,0]=4 3575 B17R2.215 Cc1ccc(cc1)CSc2ccnc(c2)C 62a_100000210814_100000758586 [0,2,0,0,0,0|2,0,0]=4 3576 B17R2.215 Cc1ccc(cc1)CSc2ccnc(c2)C 62a_100000758586_100000210814 [0,2,0,0,0,0|2,0,0]=4 3577 B17R2.215 Cc1ccc(cc1)CSc2ccnc(c2)Cl 62a_100000035001_100000210814 [0,2,0,0,0,0|2,0,0]=4 3578 B17R2.215 Cc1ccc(cc1)CSc2ccnc(c2)Cl 62a_100000210814_100000035001 [0,2,0,0,0,0|2,0,0]=4 3579 B17R2.215 Cc1ccc(cc1)CSc2ccnc(c2)F 62a_100000210814_100009816116 [0,2,0,0,0,0|2,0,0]=4 3580 B17R2.215 Cc1ccc(cc1)CSc2ccnc(c2)F 62a_100009816116_100000210814 [0,2,0,0,0,0|2,0,0]=4 3581 B17R2.215 Cc1ccc(cc1)CSc2ccnc(c2)N 62a_100000049665_100000210814 [0,2,0,0,0,0|2,0,0]=4 3582 B17R2.215 Cc1ccc(cc1)CSc2ccnc(c2)N 62a_100000210814_100000049665 [0,2,0,0,0,0|2,0,0]=4 3583 B17R2.215 Cc1ccc(cc1)SCc2ccnc(c2)Br 62a_100000186775_100010243470 [0,2,0,0,0,0|2,0,0]=4 3584 B17R2.215 Cc1ccc(cc1)SCc2ccnc(c2)Br 62a_100010254460_100000186775 [0,2,0,0,0,0|2,0,0]=4 3585 B17R2.215 Cc1ccc(cc1)SCc2ccnc(c2)C 62a_100000186775_200020672517 [0,2,0,0,0,0|2,0,0]=4 3586 B17R2.215 Cc1ccc(cc1)SCc2ccnc(c2)C 62a_200020672517_100000186775 [0,2,0,0,0,0|2,0,0]=4 3587 B17R2.215 Cc1ccc(cc1)SCc2ccnc(c2)Cl 62a_100000186775_100000764220 [0,2,0,0,0,0|2,0,0]=4 3588 B17R2.215 Cc1ccc(cc1)SCc2ccnc(c2)Cl 62a_100000764220_100000186775 [0,2,0,0,0,0|2,0,0]=4 3589 B17R2.215 Clc1cc(ccn1)CSc2ccc(cc2)Br 62a_100000752885_100000764220 [0,2,0,0,0,0|2,0,0]=4 3590 B17R2.215 Clc1cc(ccn1)CSc2ccc(cc2)Br 62a_100000764220_100000752885 [0,2,0,0,0,0|2,0,0]=4 3591 B17R2.215 Clc1cc(ccn1)SCc2ccc(cc2)Br 62a_100000035001_100000189115 [0,2,0,0,0,0|2,0,0]=4 3592 B17R2.215 Clc1cc(ccn1)SCc2ccc(cc2)Br 62a_100000189115_100000035001 [0,2,0,0,0,0|2,0,0]=4 3593 B17R2.215 Clc1cc(ccn1)SCc2ccc(cc2)I 62a_100000035001_100000189116 [0,2,0,0,0,0|2,0,0]=4 3594 B17R2.215 Clc1cc(ccn1)SCc2ccc(cc2)I 62a_100000189116_100000035001 [0,2,0,0,0,0|2,0,0]=4 3595 B17R2.215 Clc1ccc(cc1)CSc2ccnc(c2)Br 62a_100000187161_100009814637 [0,2,0,0,0,0|2,0,0]=4 3596 B17R2.215 Clc1ccc(cc1)CSc2ccnc(c2)Br 62a_100009814637_100000187161 [0,2,0,0,0,0|2,0,0]=4 3597 B17R2.215 Clc1ccc(cc1)CSc2ccnc(c2)Cl 62a_100000035001_100000187161 [0,2,0,0,0,0|2,0,0]=4 3598 B17R2.215 Clc1ccc(cc1)CSc2ccnc(c2)Cl 62a_100000187161_100000035001 [0,2,0,0,0,0|2,0,0]=4 3599 B17R2.215 Clc1ccc(cc1)SCc2ccnc(c2)Br 62a_100000755918_100010243470 [0,2,0,0,0,0|2,0,0]=4 3600 B17R2.215 Clc1ccc(cc1)SCc2ccnc(c2)Br 62a_100010254460_100000755918 [0,2,0,0,0,0|2,0,0]=4 3601 B17R2.215 Clc1ccc(cc1)SCc2ccnc(c2)Cl 62a_100000755918_100000764220 [0,2,0,0,0,0|2,0,0]=4 3602 B17R2.215 Clc1ccc(cc1)SCc2ccnc(c2)Cl 62a_100000764220_100000755918 [0,2,0,0,0,0|2,0,0]=4 3603 B17R2.215 Fc1cc(ccn1)SCc2ccc(cc2)Br 62a_100000189115_100009816116 [0,2,0,0,0,0|2,0,0]=4 3604 B17R2.215 Fc1cc(ccn1)SCc2ccc(cc2)Br 62a_100009816116_100000189115 [0,2,0,0,0,0|2,0,0]=4 3605 B17R2.215 Fc1cc(ccn1)SCc2ccc(cc2)Cl 62a_100000187161_100009816116 [0,2,0,0,0,0|2,0,0]=4 3606 B17R2.215 Fc1cc(ccn1)SCc2ccc(cc2)Cl 62a_100009816116_100000187161 [0,2,0,0,0,0|2,0,0]=4 3607 B17R2.215 Fc1cc(ccn1)SCc2ccc(cc2)I 62a_100000189116_100009816116 [0,2,0,0,0,0|2,0,0]=4 3608 B17R2.215 Fc1cc(ccn1)SCc2ccc(cc2)I 62a_100009816116_100000189116 [0,2,0,0,0,0|2,0,0]=4 3609 B17R2.215 Fc1ccc(cc1)CSc2ccnc(c2)Br 62a_100000198546_100009814637 [0,2,0,0,0,0|2,0,0]=4 3610 B17R2.215 Fc1ccc(cc1)CSc2ccnc(c2)Br 62a_100009814637_100000187164 [0,2,0,0,0,0|2,0,0]=4 3611 B17R2.215 Fc1ccc(cc1)CSc2ccnc(c2)Cl 62a_100000035001_100000187164 [0,2,0,0,0,0|2,0,0]=4 3612 B17R2.215 Fc1ccc(cc1)CSc2ccnc(c2)Cl 62a_100000198546_100000035001 [0,2,0,0,0,0|2,0,0]=4 3613 B17R2.215 Fc1ccc(cc1)CSc2ccnc(c2)F 62a_100000198546_100009816116 [0,2,0,0,0,0|2,0,0]=4 3614 B17R2.215 Fc1ccc(cc1)CSc2ccnc(c2)F 62a_100009816116_100000187164 [0,2,0,0,0,0|2,0,0]=4 3615 B17R2.215 Fc1ccc(cc1)SCc2ccnc(c2)Br 62a_100000211213_100010243470 [0,2,0,0,0,0|2,0,0]=4 3616 B17R2.215 Fc1ccc(cc1)SCc2ccnc(c2)Br 62a_100010254460_100000211213 [0,2,0,0,0,0|2,0,0]=4 3617 B17R2.215 Fc1ccc(cc1)SCc2ccnc(c2)Cl 62a_100000211213_100000764220 [0,2,0,0,0,0|2,0,0]=4 3618 B17R2.215 Fc1ccc(cc1)SCc2ccnc(c2)Cl 62a_100000764220_100000211213 [0,2,0,0,0,0|2,0,0]=4 3619 B17R2.215 Nc1cc(ccn1)SCc2ccc(cc2)Br 62a_100000049665_100000189115 [0,2,0,0,0,0|2,0,0]=4 3620 B17R2.215 Nc1cc(ccn1)SCc2ccc(cc2)Br 62a_100000189115_100000049665 [0,2,0,0,0,0|2,0,0]=4 3621 B17R2.215 Nc1cc(ccn1)SCc2ccc(cc2)Cl 62a_100000049665_100000187161 [0,2,0,0,0,0|2,0,0]=4 3622 B17R2.215 Nc1cc(ccn1)SCc2ccc(cc2)Cl 62a_100000187161_100000049665 [0,2,0,0,0,0|2,0,0]=4 3623 B17R2.215 Nc1cc(ccn1)SCc2ccc(cc2)F 62a_100000049665_100000187164 [0,2,0,0,0,0|2,0,0]=4 3624 B17R2.215 Nc1cc(ccn1)SCc2ccc(cc2)F 62a_100000198546_100000049665 [0,2,0,0,0,0|2,0,0]=4 3625 B17R2.215 Nc1cc(ccn1)SCc2ccc(cc2)I 62a_100000049665_100000189116 [0,2,0,0,0,0|2,0,0]=4 3626 B17R2.215 Nc1cc(ccn1)SCc2ccc(cc2)I 62a_100000189116_100000049665 [0,2,0,0,0,0|2,0,0]=4 3627 B17R2.215 Nc1ccc(cc1)SCc2ccnc(c2)Br 62a_100000185761_100010243470 [0,2,0,0,0,0|2,0,0]=4 3628 B17R2.215 Nc1ccc(cc1)SCc2ccnc(c2)Br 62a_100010254460_100000185761 [0,2,0,0,0,0|2,0,0]=4 3629 B17R2.215 Nc1ccc(cc1)SCc2ccnc(c2)Cl 62a_100000185761_100000764220 [0,2,0,0,0,0|2,0,0]=4 3630 B17R2.215 Nc1ccc(cc1)SCc2ccnc(c2)Cl 62a_100000764220_100000185761 [0,2,0,0,0,0|2,0,0]=4 3631 B17R2.215 Oc1ccc(cc1)SCc2ccnc(c2)Br 62a_100010254460_100000185759 [0,2,0,0,0,0|2,0,0]=4 3632 B17R2.215 Oc1ccc(cc1)SCc2ccnc(c2)Cl 62a_100000764220_100000185759 [0,2,0,0,0,0|2,0,0]=4 3633 B17R2.215 [O-][n+]1ccc(cc1)SCc2ccnc(c2)Br 62a_100010254460_100000039755 [0,2,0,0,0,0|1,0,1]=4 3634 B17R2.215 [O-][n+]1ccc(cc1)SCc2ccnc(c2)Cl 62a_100000764220_100000039755 [0,2,0,0,0,0|1,0,1]=4 3635 B17R2.1819 C=Cc1cc(ccn1)SCc2ccccc2 62a_100000211182_100009845566 [0,2,0,0,0,0|2,0,0]=4 3636 B17R2.1819 C=Cc1cc(ccn1)SCc2ccccc2 62a_100009845566_100015291786 [0,2,0,0,0,0|2,0,0]=4 3637 B17R2.1819 C=Cc1cc(ccn1)SCc2ccncc2 62a_100009845566_100015193705 [0,2,0,0,0,0|1,0,0]=3 3638 B17R2.1819 C=Cc1cc(ccn1)SCc2ccncc2 62a_100015193705_100009845566 [0,2,0,0,0,0|1,0,0]=3 3639 B17R2.1819 C=Cc1cccc(c1)SCc2ccncc2 62a_100011215241_100015193705 [0,2,0,0,0,0|2,0,0]=4 3640 B17R2.1819 C=Cc1cccc(c1)SCc2ccncc2 62a_100015193705_100011215241 [0,2,0,0,0,0|2,0,0]=4 3641 B17R2.1819 CCc1cc(ccn1)NCc2ccncc2 27a_100000210450_100009820011 [0,2,0,0,0,0|2,0,0]=4 3642 B17R2.1819 CCc1cc(ccn1)SCc2ccccc2 62a_100000211182_100009820011 [0,2,0,0,0,0|2,0,0]=4 3643 B17R2.1819 CCc1cc(ccn1)SCc2ccccc2 62a_100009820011_100015291786 [0,2,0,0,0,0|2,0,0]=4 3644 B17R2.1819 CCc1cc(ccn1)SCc2ccncc2 62a_100009820011_100015193705 [0,2,0,0,0,0|1,0,0]=3 3645 B17R2.1819 CCc1cc(ccn1)SCc2ccncc2 62a_100015193705_100009820011 [0,2,0,0,0,0|1,0,0]=3 3646 B17R2.1819 CCc1cc(ncn1)SCc2ccncc2 62a_100000744278_100015193705 [0,2,0,0,0,0|2,0,0]=4 3647 B17R2.1819 CCc1cc(ncn1)SCc2ccncc2 62a_100015193705_100000744278 [0,2,0,0,0,0|2,0,0]=4 3648 B17R2.1819 CCc1cccc(c1)SCc2ccncc2 62a_100011263222_100015193705 [0,2,0,0,0,0|2,0,0]=4 3649 B17R2.1819 CCc1cccc(c1)SCc2ccncc2 62a_100015193705_100011263222 [0,2,0,0,0,0|2,0,0]=4 3650 B17R2.1819 CNc1cc(ccn1)SCc2ccccc2 62a_100000211182_100009819592 [0,2,0,0,0,0|2,0,0]=4 3651 B17R2.1819 CNc1cc(ccn1)SCc2ccccc2 62a_100009819592_100015291786 [0,2,0,0,0,0|2,0,0]=4 3652 B17R2.1819 CNc1cc(ccn1)SCc2ccncc2 62a_100009819592_100015193705 [0,2,0,0,0,0|1,0,0]=3 3653 B17R2.1819 CNc1cc(ccn1)SCc2ccncc2 62a_100015193705_100009819592 [0,2,0,0,0,0|1,0,0]=3 3654 B17R2.1819 CNc1cc(ncn1)SCc2ccncc2 62a_100000756605_100015193705 [0,2,0,0,0,0|2,0,0]=4 3655 B17R2.1819 CNc1cc(ncn1)SCc2ccncc2 62a_100015193705_100000756605 [0,2,0,0,0,0|2,0,0]=4 3656 B17R2.1819 CNc1cccc(c1)SCc2ccncc2 62a_100000219648_100015193705 [0,2,0,0,0,0|2,0,0]=4 3657 B17R2.1819 CNc1cccc(c1)SCc2ccncc2 62a_100015193705_100000219648 [0,2,0,0,0,0|2,0,0]=4 3658 B17R2.1819 CNc1nccc(n1)SCc2ccncc2 62a_100012000420_100015193705 [0,2,0,0,0,0|2,0,0]=4 3659 B17R2.1819 CNc1nccc(n1)SCc2ccncc2 62a_100015193705_100012000420 [0,2,0,0,0,0|2,0,0]=4 3660 B17R2.1819 COc1cc(ccn1)COc2ccncc2 34a_100000212176_100103152439 [0,2,0,0,0,0|1,1,0]=4 3661 B17R2.1819 COc1cc(ccn1)CSc2ccccc2 62a_100000719477_100103152439 [0,2,0,0,0,0|2,0,0]=4 3662 B17R2.1819 COc1cc(ccn1)CSc2ccccc2 62a_100103152439_100000041952 [0,2,0,0,0,0|2,0,0]=4 3663 B17R2.1819 COc1cc(ccn1)CSc2ccncc2 62a_100000728582_100103152439 [0,2,0,0,0,0|1,0,0]=3 3664 B17R2.1819 COc1cc(ccn1)CSc2ccncc2 62a_100103152439_100000728582 [0,2,0,0,0,0|1,0,0]=3 3665 B17R2.1819 COc1cc(ccn1)CSc2ccncn2 62a_100000703185_100103152439 [0,2,0,0,0,0|2,0,0]=4 3666 B17R2.1819 COc1cc(ccn1)CSc2ccncn2 62a_100103152439_100000703185 [0,2,0,0,0,0|2,0,0]=4 3667 B17R2.1819 COc1cc(ccn1)CSc2ccnnc2 62a_100000732662_100103152439 [0,2,0,0,0,0|2,0,0]=4 3668 B17R2.1819 COc1cc(ccn1)CSc2ccnnc2 62a_100103152439_100000732662 [0,2,0,0,0,0|2,0,0]=4 3669 B17R2.1819 COc1cc(ccn1)SCc2ccccc2 62a_100000117307_100015291786 [0,2,0,0,0,0|2,0,0]=4 3670 B17R2.1819 COc1cc(ccn1)SCc2ccccc2 62a_100000211182_100000117307 [0,2,0,0,0,0|2,0,0]=4 3671 B17R2.1819 COc1cc(ccn1)SCc2ccncc2 62a_100000117307_100015193705 [0,2,0,0,0,0|1,0,0]=3 3672 B17R2.1819 COc1cc(ccn1)SCc2ccncc2 62a_100015193705_100000117307 [0,2,0,0,0,0|1,0,0]=3 3673 B17R2.1819 COc1cc(ncn1)SCc2ccncc2 62a_100000049997_100015193705 [0,2,0,0,0,0|2,0,0]=4 3674 B17R2.1819 COc1cc(ncn1)SCc2ccncc2 62a_100015193705_100000049997 [0,2,0,0,0,0|2,0,0]=4 3675 B17R2.1819 COc1cccc(c1)CSc2ccncc2 62a_100000688526_100000728582 [0,2,0,0,0,0|2,0,0]=4 3676 B17R2.1819 COc1cccc(c1)CSc2ccncc2 62a_100000728582_100000211672 [0,2,0,0,0,0|2,0,0]=4 3677 B17R2.1819 COc1cccc(c1)SCc2ccncc2 62a_100015193705_100000170001 [0,2,0,0,0,0|2,0,0]=4 3678 B17R2.1819 COc1nccc(n1)SCc2ccncc2 62a_100000069072_100015193705 [0,2,0,0,0,0|2,0,0]=4 3679 B17R2.1819 COc1nccc(n1)SCc2ccncc2 62a_100015193705_100000069072 [0,2,0,0,0,0|2,0,0]=4 3680 B17R2.1819 CSc1cc(ncn1)SCc2ccncc2 62a_100011443430_100015193705 [0,2,0,0,0,0|2,0,0]=4 3681 B17R2.1819 CSc1cc(ncn1)SCc2ccncc2 62a_100015193705_100011443430 [0,2,0,0,0,0|2,0,0]=4 3682 B17R2.1819 CSc1cccc(c1)SCc2ccncc2 62a_100011215954_100015193705 [0,2,0,0,0,0|2,0,0]=4 3683 B17R2.1819 CSc1cccc(c1)SCc2ccncc2 62a_100015193705_100011215954 [0,2,0,0,0,0|2,0,0]=4 3684 B17R2.1819 CSc1nccc(n1)SCc2ccncc2 62a_100000032126_100015193705 [0,2,0,0,0,0|2,0,0]=4 3685 B17R2.1819 CSc1nccc(n1)SCc2ccncc2 62a_100015193705_100000032126 [0,2,0,0,0,0|2,0,0]=4 3686 B17R2.1819 FCc1cccc(c1)SCc2ccncc2 62a_100010878472_100015193705 [0,2,0,0,0,0|2,0,0]=4 3687 B17R2.1819 FCc1cccc(c1)SCc2ccncc2 62a_100015193705_100010878472 [0,2,0,0,0,0|2,0,0]=4 3688 B17R2.1819 N#Cc1cc(ccn1)NCc2ccncc2 27a_100000210450_100000685610 [0,2,0,0,0,0|2,0,0]=4 3689 B17R2.1819 N#Cc1cc(ccn1)OCc2ccncc2 7a_100011777083_100015193705 [0,2,0,0,0,0|1,1,0]=4 3690 B17R2.1819 N#Cc1cc(ccn1)SCc2ccccc2 62a_100000211182_100000685610 [0,2,0,0,0,0|2,0,0]=4 3691 B17R2.1819 N#Cc1cc(ccn1)SCc2ccncc2 62a_100015193705_100000685610 [0,2,0,0,0,0|1,0,0]=3 3692 B17R2.1819 N#Cc1cc(ncn1)SCc2ccncc2 62a_100015193705_100000092509 [0,2,0,0,0,0|2,0,0]=4 3693 B17R2.1819 N#Cc1cccc(c1)CSc2ccncc2 62a_100000728582_100000233786 [0,2,0,0,0,0|2,0,0]=4 3694 B17R2.1819 N#Cc1cccc(c1)SCc2ccncc2 62a_100015193705_100000189340 [0,2,0,0,0,0|2,0,0]=4 3695 B17R2.1819 N#Cc1nccc(n1)SCc2ccncc2 62a_100015193705_100000092507 [0,2,0,0,0,0|2,0,0]=4 3696 B17R2.1819 NCc1cc(ccn1)SCc2ccccc2 62a_100000085674_100015291786 [0,2,0,0,0,0|2,0,0]=4 3697 B17R2.1819 NCc1cc(ccn1)SCc2ccccc2 62a_100000211182_100000085674 [0,2,0,0,0,0|2,0,0]=4 3698 B17R2.1819 NCc1cc(ccn1)SCc2ccncc2 62a_100000085674_100015193705 [0,2,0,0,0,0|1,0,0]=3 3699 B17R2.1819 NCc1cc(ccn1)SCc2ccncc2 62a_100015193705_100000085674 [0,2,0,0,0,0|1,0,0]=3 3700 B17R2.1819 NCc1cccc(c1)SCc2ccncc2 62a_100000106179_100015193705 [0,2,0,0,0,0|2,0,0]=4 3701 B17R2.1819 NCc1cccc(c1)SCc2ccncc2 62a_100015193705_100000106179 [0,2,0,0,0,0|2,0,0]=4 3702 B17R2.1819 NNc1cc(ccn1)SCc2ccccc2 62a_100000211182_100000764631 [0,2,0,0,0,0|2,0,0]=4 3703 B17R2.1819 NNc1cc(ccn1)SCc2ccccc2 62a_100000764631_100015291786 [0,2,0,0,0,0|2,0,0]=4 3704 B17R2.1819 NNc1cc(ccn1)SCc2ccncc2 62a_100000764631_100015193705 [0,2,0,0,0,0|1,0,0]=3 3705 B17R2.1819 NNc1cc(ccn1)SCc2ccncc2 62a_100015193705_100000764631 [0,2,0,0,0,0|1,0,0]=3 3706 B17R2.1819 NNc1cc(ncn1)SCc2ccncc2 62a_100000242035_100015193705 [0,2,0,0,0,0|2,0,0]=4 3707 B17R2.1819 NNc1cc(ncn1)SCc2ccncc2 62a_100015193705_100000242035 [0,2,0,0,0,0|2,0,0]=4 3708 B17R2.1819 NNc1cccc(c1)SCc2ccncc2 62a_100000217339_100015193705 [0,2,0,0,0,0|2,0,0]=4 3709 B17R2.1819 NNc1cccc(c1)SCc2ccncc2 62a_100015193705_100000217339 [0,2,0,0,0,0|2,0,0]=4 3710 B17R2.1819 O=Cc1cc(ccn1)SCc2ccccc2 62a_100000211182_100011998288 [0,2,0,0,0,0|2,0,0]=4 3711 B17R2.1819 O=Cc1cc(ccn1)SCc2ccccc2 62a_100011998288_100015291786 [0,2,0,0,0,0|2,0,0]=4 3712 B17R2.1819 O=Cc1cc(ccn1)SCc2ccncc2 62a_100011998288_100015193705 [0,2,0,0,0,0|1,0,0]=3 3713 B17R2.1819 O=Cc1cc(ccn1)SCc2ccncc2 62a_100015193705_100011998288 [0,2,0,0,0,0|1,0,0]=3 3714 B17R2.1819 O=Cc1cccc(c1)CSc2ccncc2 62a_100000728582_100009816774 [0,2,0,0,0,0|2,0,0]=4 3715 B17R2.1819 O=Cc1cccc(c1)CSc2ccncc2 62a_100009816774_100000728582 [0,2,0,0,0,0|2,0,0]=4 3716 B17R2.1819 O=Cc1cccc(c1)SCc2ccncc2 62a_100000014684_100015193705 [0,2,0,0,0,0|2,0,0]=4 3717 B17R2.1819 O=Cc1cccc(c1)SCc2ccncc2 62a_100015193705_100000014684 [0,2,0,0,0,0|2,0,0]=4 3718 B17R2.1819 OCc1cc(ccn1)NCc2ccncc2 27a_100000210450_100000748867 [0,2,0,0,0,0|2,0,0]=4 3719 B17R2.1819 OCc1cc(ccn1)SCc2ccccc2 62a_100000211182_100000748867 [0,2,0,0,0,0|2,0,0]=4 3720 B17R2.1819 OCc1cc(ccn1)SCc2ccccc2 62a_100000748867_100015291786 [0,2,0,0,0,0|2,0,0]=4 3721 B17R2.1819 OCc1cc(ccn1)SCc2ccncc2 62a_100000748867_100015193705 [0,2,0,0,0,0|1,0,0]=3 3722 B17R2.1819 OCc1cc(ccn1)SCc2ccncc2 62a_100015193705_100000748867 [0,2,0,0,0,0|1,0,0]=3 3723 B17R2.1819 OCc1cc(ncn1)SCc2ccncc2 62a_100000731546_100015193705 [0,2,0,0,0,0|2,0,0]=4 3724 B17R2.1819 OCc1cc(ncn1)SCc2ccncc2 62a_100015193705_100000731546 [0,2,0,0,0,0|2,0,0]=4 3725 B17R2.1819 OCc1cccc(c1)CSc2ccncc2 62a_100000728582_100010188025 [0,2,0,0,0,0|2,0,0]=4 3726 B17R2.1819 OCc1cccc(c1)CSc2ccncc2 62a_100010188025_100000728582 [0,2,0,0,0,0|2,0,0]=4 3727 B17R2.1819 OCc1cccc(c1)SCc2ccncc2 62a_100000687537_100015193705 [0,2,0,0,0,0|2,0,0]=4 3728 B17R2.1819 OCc1cccc(c1)SCc2ccncc2 62a_100015193705_100000687537 [0,2,0,0,0,0|2,0,0]=4 3729 B17R2.3212 Brc1cc(cc(c1)CSc2ccncc2)Br 62a_100000728582_100011216082 [0,2,0,0,0,0|2,0,0]=4 3730 B17R2.3212 Brc1cc(cc(c1)CSc2ccncc2)Br 62a_100011216082_100000728582 [0,2,0,0,0,0|2,0,0]=4 3731 B17R2.3212 Brc1cc(cc(c1)CSc2ccncc2)I 62a_100000728582_100010146614 [0,2,0,0,0,0|2,0,0]=4 3732 B17R2.3212 Brc1cc(cc(c1)CSc2ccncc2)I 62a_100010146614_100000728582 [0,2,0,0,0,0|2,0,0]=4 3733 B17R2.3212 Brc1cc(cc(c1)SCc2ccncc2)Br 62a_100009814770_100015193705 [0,2,0,0,0,0|2,0,0]=4 3734 B17R2.3212 Brc1cc(cc(c1)SCc2ccncc2)Br 62a_100015193705_100009814770 [0,2,0,0,0,0|2,0,0]=4 3735 B17R2.3212 Brc1cc(cc(n1)Br)OCc2ccncc2 7a_100010172823_100015193705 [0,2,0,0,0,0|1,1,0]=4 3736 B17R2.3212 Cc1cc(cc(=O)[nH]1)SCc2ccncc2 62a_100009861981_100015193705 [0,2,0,0,0,0|1,0,1]=4 3737 B17R2.3212 Cc1cc(cc(=O)[nH]1)SCc2ccncc2 62a_100015193705_100009861981 [0,2,0,0,0,0|1,0,1]=4 3738 B17R2.3212 Cc1cc(cc(c1)CSc2ccncc2)Br 62a_100000728582_100012348363 [0,2,0,0,0,0|2,0,0]=4 3739 B17R2.3212 Cc1cc(cc(c1)CSc2ccncc2)Br 62a_100012348363_100000728582 [0,2,0,0,0,0|2,0,0]=4 3740 B17R2.3212 Cc1cc(cc(c1)CSc2ccncc2)C 62a_100000181317_100000728582 [0,2,0,0,0,0|2,0,0]=4 3741 B17R2.3212 Cc1cc(cc(c1)CSc2ccncc2)C 62a_100000728582_100000181317 [0,2,0,0,0,0|2,0,0]=4 3742 B17R2.3212 Cc1cc(cc(c1)CSc2ccncc2)F 62a_100000728582_100011219130 [0,2,0,0,0,0|2,0,0]=4 3743 B17R2.3212 Cc1cc(cc(c1)CSc2ccncc2)F 62a_100011219130_100000728582 [0,2,0,0,0,0|2,0,0]=4 3744 B17R2.3212 Cc1cc(cc(c1)SCc2ccncc2)C 62a_100011215608_100015193705 [0,2,0,0,0,0|2,0,0]=4 3745 B17R2.3212 Cc1cc(cc(c1)SCc2ccncc2)C 62a_100015193705_100011215608 [0,2,0,0,0,0|2,0,0]=4 3746 B17R2.3212 Cc1cc(cc(c1)SCc2ccncc2)Cl 62a_100010172791_100015193705 [0,2,0,0,0,0|2,0,0]=4 3747 B17R2.3212 Cc1cc(cc(c1)SCc2ccncc2)Cl 62a_100015193705_100010172791 [0,2,0,0,0,0|2,0,0]=4 3748 B17R2.3212 Cc1cc(cc(c1)SCc2ccncc2)F 62a_100011356977_100015193705 [0,2,0,0,0,0|2,0,0]=4 3749 B17R2.3212 Cc1cc(cc(c1)SCc2ccncc2)F 62a_100015193705_100011356977 [0,2,0,0,0,0|2,0,0]=4 3750 B17R2.3212 Cc1cc(cc(c1)SCc2ccncc2)N 62a_100000695972_100015193705 [0,2,0,0,0,0|2,0,0]=4 3751 B17R2.3212 Cc1cc(cc(c1)SCc2ccncc2)N 62a_100015193705_100000695972 [0,2,0,0,0,0|2,0,0]=4 3752 B17R2.3212 Cc1cc(cc(c1)SCc2ccncc2)O 62a_100015193705_100011999630 [0,2,0,0,0,0|2,0,0]=4 3753 B17R2.3212 Cc1cc(cc(n1)C)COc2ccncc2 34a_100000212176_200000139866 [0,2,0,0,0,0|1,1,0]=4 3754 B17R2.3212 Cc1cc(cc(n1)C)CSc2ccccc2 62a_100000719477_200000139866 [0,2,0,0,0,0|2,0,0]=4 3755 B17R2.3212 Cc1cc(cc(n1)C)CSc2ccccc2 62a_200000139866_100000041952 [0,2,0,0,0,0|2,0,0]=4 3756 B17R2.3212 Cc1cc(cc(n1)C)CSc2ccncc2 62a_100000728582_200000139866 [0,2,0,0,0,0|1,0,0]=3 3757 B17R2.3212 Cc1cc(cc(n1)C)CSc2ccncc2 62a_200000139866_100000728582 [0,2,0,0,0,0|1,0,0]=3 3758 B17R2.3212 Cc1cc(cc(n1)C)CSc2ccncn2 62a_100000703185_200000139866 [0,2,0,0,0,0|2,0,0]=4 3759 B17R2.3212 Cc1cc(cc(n1)C)CSc2ccncn2 62a_200000139866_100000703185 [0,2,0,0,0,0|2,0,0]=4 3760 B17R2.3212 Cc1cc(cc(n1)C)CSc2ccnnc2 62a_100000732662_200000139866 [0,2,0,0,0,0|2,0,0]=4 3761 B17R2.3212 Cc1cc(cc(n1)C)CSc2ccnnc2 62a_200000139866_100000732662 [0,2,0,0,0,0|2,0,0]=4 3762 B17R2.3212 Cc1cc(cc(n1)C)NCc2ccncc2 27a_100000210450_100000066820 [0,2,0,0,0,0|2,0,0]=4 3763 B17R2.3212 Cc1cc(cc(n1)C)SCc2ccccc2 62a_100000066820_100015291786 [0,2,0,0,0,0|2,0,0]=4 3764 B17R2.3212 Cc1cc(cc(n1)C)SCc2ccccc2 62a_100000211182_100000066820 [0,2,0,0,0,0|2,0,0]=4 3765 B17R2.3212 Cc1cc(cc(n1)C)SCc2ccncc2 62a_100000066820_100015193705 [0,2,0,0,0,0|1,0,0]=3 3766 B17R2.3212 Cc1cc(cc(n1)C)SCc2ccncc2 62a_100015193705_100000066820 [0,2,0,0,0,0|1,0,0]=3 3767 B17R2.3212 Cc1cc(cc(n1)Cl)NCc2ccncc2 27a_100000210450_100010068023 [0,2,0,0,0,0|2,0,0]=4 3768 B17R2.3212 Cc1cc(cc(n1)Cl)SCc2ccccc2 62a_100000211182_100010068023 [0,2,0,0,0,0|2,0,0]=4 3769 B17R2.3212 Cc1cc(cc(n1)Cl)SCc2ccccc2 62a_100010068023_100015291786 [0,2,0,0,0,0|2,0,0]=4 3770 B17R2.3212 Cc1cc(cc(n1)Cl)SCc2ccncc2 62a_100010068023_100015193705 [0,2,0,0,0,0|1,0,0]=3 3771 B17R2.3212 Cc1cc(cc(n1)Cl)SCc2ccncc2 62a_100015193705_100010068023 [0,2,0,0,0,0|1,0,0]=3 3772 B17R2.3212 Cc1cc(cc(n1)F)NCc2ccncc2 27a_100000210450_100010006595 [0,2,0,0,0,0|2,0,0]=4 3773 B17R2.3212 Cc1cc(cc(n1)F)SCc2ccccc2 62a_100000211182_100010006595 [0,2,0,0,0,0|2,0,0]=4 3774 B17R2.3212 Cc1cc(cc(n1)F)SCc2ccccc2 62a_100010006595_100015291786 [0,2,0,0,0,0|2,0,0]=4 3775 B17R2.3212 Cc1cc(cc(n1)F)SCc2ccncc2 62a_100010006595_100015193705 [0,2,0,0,0,0|1,0,0]=3 3776 B17R2.3212 Cc1cc(cc(n1)F)SCc2ccncc2 62a_100015193705_100010006595 [0,2,0,0,0,0|1,0,0]=3 3777 B17R2.3212 Cc1cc(cc(n1)N)SCc2ccccc2 62a_100000076705_100015291786 [0,2,0,0,0,0|2,0,0]=4 3778 B17R2.3212 Cc1cc(cc(n1)N)SCc2ccccc2 62a_100000211182_100000076705 [0,2,0,0,0,0|2,0,0]=4 3779 B17R2.3212 Cc1cc(cc(n1)N)SCc2ccncc2 62a_100000076705_100015193705 [0,2,0,0,0,0|1,0,0]=3 3780 B17R2.3212 Cc1cc(cc(n1)N)SCc2ccncc2 62a_100015193705_100000076705 [0,2,0,0,0,0|1,0,0]=3 3781 B17R2.3212 Cc1cc(nc(n1)C)SCc2ccncc2 62a_100000736142_100015193705 [0,2,0,0,0,0|2,0,0]=4 3782 B17R2.3212 Cc1cc(nc(n1)C)SCc2ccncc2 62a_100015193705_100000736142 [0,2,0,0,0,0|2,0,0]=4 3783 B17R2.3212 Cc1cc(nc(n1)N)SCc2ccncc2 62a_100000183061_100015193705 [0,2,0,0,0,0|2,0,0]=4 3784 B17R2.3212 Cc1cc(nc(n1)N)SCc2ccncc2 62a_100015193705_100000183061 [0,2,0,0,0,0|2,0,0]=4 3785 B17R2.3212 Cc1nc(cc(n1)SCc2ccncc2)N 62a_100000761517_100015193705 [0,2,0,0,0,0|2,0,0]=4 3786 B17R2.3212 Cc1nc(cc(n1)SCc2ccncc2)N 62a_100015193705_100000761517 [0,2,0,0,0,0|2,0,0]=4 3787 B17R2.3212 Cc1nc(cc(n1)SCc2ccncc2)O 62a_100015193705_106741647437 [0,2,0,0,0,0|2,0,0]=4 3788 B17R2.3212 Clc1cc(cc(c1)CSc2ccncc2)Cl 62a_100000728582_100011219208 [0,2,0,0,0,0|2,0,0]=4 3789 B17R2.3212 Clc1cc(cc(c1)CSc2ccncc2)Cl 62a_100011219208_100000728582 [0,2,0,0,0,0|2,0,0]=4 3790 B17R2.3212 Clc1cc(cc(c1)SCc2ccncc2)Br 62a_100009814755_100015193705 [0,2,0,0,0,0|2,0,0]=4 3791 B17R2.3212 Clc1cc(cc(c1)SCc2ccncc2)Br 62a_100015193705_100009814755 [0,2,0,0,0,0|2,0,0]=4 3792 B17R2.3212 Clc1cc(cc(c1)SCc2ccncc2)Cl 62a_100000747138_100015193705 [0,2,0,0,0,0|2,0,0]=4 3793 B17R2.3212 Clc1cc(cc(c1)SCc2ccncc2)Cl 62a_100015193705_100000747138 [0,2,0,0,0,0|2,0,0]=4 3794 B17R2.3212 Clc1cc(cc(n1)Cl)CSc2ccccc2 62a_100000052781_100000041952 [0,2,0,0,0,0|2,0,0]=4 3795 B17R2.3212 Clc1cc(cc(n1)Cl)CSc2ccccc2 62a_100000719477_100000052781 [0,2,0,0,0,0|2,0,0]=4 3796 B17R2.3212 Clc1cc(cc(n1)Cl)CSc2ccncc2 62a_100000052781_100000728582 [0,2,0,0,0,0|1,0,0]=3 3797 B17R2.3212 Clc1cc(cc(n1)Cl)CSc2ccncc2 62a_100000728582_100000052781 [0,2,0,0,0,0|1,0,0]=3 3798 B17R2.3212 Clc1cc(cc(n1)Cl)CSc2ccncn2 62a_100000052781_100000703185 [0,2,0,0,0,0|2,0,0]=4 3799 B17R2.3212 Clc1cc(cc(n1)Cl)CSc2ccncn2 62a_100000703185_100000052781 [0,2,0,0,0,0|2,0,0]=4 3800 B17R2.3212 Clc1cc(cc(n1)Cl)CSc2ccnnc2 62a_100000052781_100000732662 [0,2,0,0,0,0|2,0,0]=4 3801 B17R2.3212 Clc1cc(cc(n1)Cl)CSc2ccnnc2 62a_100000732662_100000052781 [0,2,0,0,0,0|2,0,0]=4 3802 B17R2.3212 Clc1cc(cc(n1)Cl)SCc2ccccc2 62a_100000062418_100015291786 [0,2,0,0,0,0|2,0,0]=4 3803 B17R2.3212 Clc1cc(cc(n1)Cl)SCc2ccccc2 62a_100000211182_100000062418 [0,2,0,0,0,0|2,0,0]=4 3804 B17R2.3212 Clc1cc(cc(n1)Cl)SCc2ccncc2 62a_100000062418_100015193705 [0,2,0,0,0,0|1,0,0]=3 3805 B17R2.3212 Clc1cc(cc(n1)Cl)SCc2ccncc2 62a_100015193705_100000062418 [0,2,0,0,0,0|1,0,0]=3 3806 B17R2.3212 Fc1cc(cc(c1)CSc2ccncc2)Br 62a_100000728582_100000766940 [0,2,0,0,0,0|2,0,0]=4 3807 B17R2.3212 Fc1cc(cc(c1)CSc2ccncc2)Br 62a_100000766940_100000728582 [0,2,0,0,0,0|2,0,0]=4 3808 B17R2.3212 Fc1cc(cc(c1)CSc2ccncc2)Cl 62a_100000728582_100011219885 [0,2,0,0,0,0|2,0,0]=4 3809 B17R2.3212 Fc1cc(cc(c1)CSc2ccncc2)Cl 62a_100011219885_100000728582 [0,2,0,0,0,0|2,0,0]=4 3810 B17R2.3212 Fc1cc(cc(c1)CSc2ccncc2)F 62a_100000697002_100000728582 [0,2,0,0,0,0|2,0,0]=4 3811 B17R2.3212 Fc1cc(cc(c1)CSc2ccncc2)F 62a_100000728582_100000697002 [0,2,0,0,0,0|2,0,0]=4 3812 B17R2.3212 Fc1cc(cc(c1)CSc2ccncc2)I 62a_100000728582_100010149605 [0,2,0,0,0,0|2,0,0]=4 3813 B17R2.3212 Fc1cc(cc(c1)CSc2ccncc2)I 62a_100010149605_100000728582 [0,2,0,0,0,0|2,0,0]=4 3814 B17R2.3212 Fc1cc(cc(c1)SCc2ccncc2)Br 62a_100009814764_100015193705 [0,2,0,0,0,0|2,0,0]=4 3815 B17R2.3212 Fc1cc(cc(c1)SCc2ccncc2)Br 62a_100015193705_100009814764 [0,2,0,0,0,0|2,0,0]=4 3816 B17R2.3212 Fc1cc(cc(c1)SCc2ccncc2)Cl 62a_100013859453_100015193705 [0,2,0,0,0,0|2,0,0]=4 3817 B17R2.3212 Fc1cc(cc(c1)SCc2ccncc2)Cl 62a_100015193705_100013859453 [0,2,0,0,0,0|2,0,0]=4 3818 B17R2.3212 Fc1cc(cc(c1)SCc2ccncc2)F 62a_100000233788_100015193705 [0,2,0,0,0,0|2,0,0]=4 3819 B17R2.3212 Fc1cc(cc(c1)SCc2ccncc2)F 62a_100015193705_100000233788 [0,2,0,0,0,0|2,0,0]=4 3820 B17R2.3212 Fc1cc(cc(n1)Cl)NCc2ccncc2 27a_100000210450_100011069727 [0,2,0,0,0,0|2,0,0]=4 3821 B17R2.3212 Fc1cc(cc(n1)Cl)SCc2ccccc2 62a_100000211182_100011069727 [0,2,0,0,0,0|2,0,0]=4 3822 B17R2.3212 Fc1cc(cc(n1)Cl)SCc2ccccc2 62a_100011069727_100015291786 [0,2,0,0,0,0|2,0,0]=4 3823 B17R2.3212 Fc1cc(cc(n1)Cl)SCc2ccncc2 62a_100011069727_100015193705 [0,2,0,0,0,0|1,0,0]=3 3824 B17R2.3212 Fc1cc(cc(n1)Cl)SCc2ccncc2 62a_100015193705_100011069727 [0,2,0,0,0,0|1,0,0]=3 3825 B17R2.3212 Fc1cc(cc(n1)F)NCc2ccncc2 27a_100000210450_100000049587 [0,2,0,0,0,0|2,0,0]=4 3826 B17R2.3212 Fc1cc(cc(n1)F)SCc2ccccc2 62a_100000049587_100015291786 [0,2,0,0,0,0|2,0,0]=4 3827 B17R2.3212 Fc1cc(cc(n1)F)SCc2ccccc2 62a_100000211182_100000049587 [0,2,0,0,0,0|2,0,0]=4 3828 B17R2.3212 Fc1cc(cc(n1)F)SCc2ccncc2 62a_100000049587_100015193705 [0,2,0,0,0,0|1,0,0]=3 3829 B17R2.3212 Fc1cc(cc(n1)F)SCc2ccncc2 62a_100015193705_100000049587 [0,2,0,0,0,0|1,0,0]=3 3830 B17R2.3212 Nc1cc(cc(c1)SCc2ccncc2)Br 62a_100009814763_100015193705 [0,2,0,0,0,0|2,0,0]=4 3831 B17R2.3212 Nc1cc(cc(c1)SCc2ccncc2)Br 62a_100015193705_100009814763 [0,2,0,0,0,0|2,0,0]=4 3832 B17R2.3212 Nc1cc(cc(c1)SCc2ccncc2)Cl 62a_100010147676_100015193705 [0,2,0,0,0,0|2,0,0]=4 3833 B17R2.3212 Nc1cc(cc(c1)SCc2ccncc2)Cl 62a_100015193705_100010147676 [0,2,0,0,0,0|2,0,0]=4 3834 B17R2.3212 Nc1cc(cc(c1)SCc2ccncc2)F 62a_100011356972_100015193705 [0,2,0,0,0,0|2,0,0]=4 3835 B17R2.3212 Nc1cc(cc(c1)SCc2ccncc2)F 62a_100015193705_100011356972 [0,2,0,0,0,0|2,0,0]=4 3836 B17R2.3212 Nc1cc(cc(c1)SCc2ccncc2)N 62a_100011999608_100015193705 [0,2,0,0,0,0|2,0,0]=4 3837 B17R2.3212 Nc1cc(cc(c1)SCc2ccncc2)N 62a_100015193705_100011999608 [0,2,0,0,0,0|2,0,0]=4 3838 B17R2.3212 Nc1cc(cc(n1)Cl)SCc2ccccc2 62a_100000211182_200011084131 [0,2,0,0,0,0|2,0,0]=4 3839 B17R2.3212 Nc1cc(cc(n1)Cl)SCc2ccccc2 62a_200011084131_100015291786 [0,2,0,0,0,0|2,0,0]=4 3840 B17R2.3212 Nc1cc(cc(n1)Cl)SCc2ccncc2 62a_100015193705_200011084131 [0,2,0,0,0,0|1,0,0]=3 3841 B17R2.3212 Nc1cc(cc(n1)Cl)SCc2ccncc2 62a_200011084131_100015193705 [0,2,0,0,0,0|1,0,0]=3 3842 B17R2.3212 Nc1cc(cc(n1)N)SCc2ccccc2 62a_100009816676_100015291786 [0,2,0,0,0,0|2,0,0]=4 3843 B17R2.3212 Nc1cc(cc(n1)N)SCc2ccncc2 62a_100009816676_100015193705 [0,2,0,0,0,0|1,0,0]=3 3844 B17R2.3212 Nc1cc(nc(n1)N)SCc2ccncc2 62a_100000212091_100015193705 [0,2,0,0,0,0|2,0,0]=4 3845 B17R2.3212 Nc1nc(cc(n1)SCc2ccncc2)O 62a_100000694715_100015193705 [0,2,0,0,0,0|2,0,0]=4 3846 B17R2.3212 Oc1cc(cc(c1)SCc2ccncc2)Br 62a_100010068917_100015193705 [0,2,0,0,0,0|2,0,0]=4 3847 B17R2.3212 Oc1cc(cc(c1)SCc2ccncc2)Br 62a_100015193705_100010068917 [0,2,0,0,0,0|2,0,0]=4 3848 B17R2.3212 Oc1cc(cc(c1)SCc2ccncc2)Cl 62a_100010068924_100015193705 [0,2,0,0,0,0|2,0,0]=4 3849 B17R2.3212 Oc1cc(cc(c1)SCc2ccncc2)Cl 62a_100015193705_100010068924 [0,2,0,0,0,0|2,0,0]=4 3850 B17R2.3212 Oc1cc(cc(c1)SCc2ccncc2)F 62a_100000688818_100015193705 [0,2,0,0,0,0|2,0,0]=4 3851 B17R2.3212 Oc1cc(cc(c1)SCc2ccncc2)F 62a_100015193705_100000688818 [0,2,0,0,0,0|2,0,0]=4 3852 B17R2.3212 Oc1cc(cc(c1)SCc2ccncc2)O 62a_100015193705_100009868816 [0,2,0,0,0,0|2,0,0]=4 3853 B17R2.5300 Brc1cc(ccn1)CSc2ccnc(c2)Br 62a_100009814637_100010243470 [0,2,0,0,0,0|1,0,0]=3 3854 B17R2.5300 Brc1cc(ccn1)CSc2ccnc(c2)Br 62a_100010254460_100009814637 [0,2,0,0,0,0|1,0,0]=3 3855 B17R2.5300 Brc1cc(ccn1)SCc2cccc(c2)I 62a_100009814637_100011218688 [0,2,0,0,0,0|2,0,0]=4 3856 B17R2.5300 Brc1cc(ccn1)SCc2cccc(c2)I 62a_100011218688_100009814637 [0,2,0,0,0,0|2,0,0]=4 3857 B17R2.5300 Brc1cccc(c1)CSc2ccnc(c2)Br 62a_100000211773_100009814637 [0,2,0,0,0,0|2,0,0]=4 3858 B17R2.5300 Brc1cccc(c1)CSc2ccnc(c2)Br 62a_100009814637_100000211773 [0,2,0,0,0,0|2,0,0]=4 3859 B17R2.5300 Brc1cccc(c1)SCc2ccnc(c2)Br 62a_100000691529_100010243470 [0,2,0,0,0,0|2,0,0]=4 3860 B17R2.5300 Brc1cccc(c1)SCc2ccnc(c2)Br 62a_100010254460_100000691529 [0,2,0,0,0,0|2,0,0]=4 3861 B17R2.5300 Cc1cc(ccn1)CNc2ccnc(c2)C 27a_100011934566_100000758586 [0,2,0,0,0,0|2,0,0]=4 3862 B17R2.5300 Cc1cc(ccn1)CNc2ccnc(c2)F 27a_100011934566_100009816116 [0,2,0,0,0,0|2,0,0]=4 3863 B17R2.5300 Cc1cc(ccn1)COc2ccnc(c2)C 34a_100000688365_200020672517 [0,2,0,0,0,0|1,1,0]=4 3864 B17R2.5300 Cc1cc(ccn1)COc2ccnc(c2)Cl 34a_100000762945_200020672517 [0,2,0,0,0,0|1,1,0]=4 3865 B17R2.5300 Cc1cc(ccn1)COc2ccnc(c2)F 34a_100000732698_200020672517 [0,2,0,0,0,0|1,1,0]=4 3866 B17R2.5300 Cc1cc(ccn1)COc2ccnc(c2)N 34a_100011834064_200020672517 [0,2,0,0,0,0|1,1,0]=4 3867 B17R2.5300 Cc1cc(ccn1)CSc2cc(ncn2)C 62a_100000744208_200020672517 [0,2,0,0,0,0|2,0,0]=4 3868 B17R2.5300 Cc1cc(ccn1)CSc2cc(ncn2)C 62a_200020672517_100000744208 [0,2,0,0,0,0|2,0,0]=4 3869 B17R2.5300 Cc1cc(ccn1)CSc2cc(ncn2)Cl 62a_100010161198_200020672517 [0,2,0,0,0,0|2,0,0]=4 3870 B17R2.5300 Cc1cc(ccn1)CSc2cc(ncn2)Cl 62a_200020672517_100010161198 [0,2,0,0,0,0|2,0,0]=4 3871 B17R2.5300 Cc1cc(ccn1)CSc2cc(ncn2)F 62a_200009880791_200020672517 [0,2,0,0,0,0|2,0,0]=4 3872 B17R2.5300 Cc1cc(ccn1)CSc2cc(ncn2)F 62a_200020672517_200009880791 [0,2,0,0,0,0|2,0,0]=4 3873 B17R2.5300 Cc1cc(ccn1)CSc2cc(ncn2)N 62a_100000701291_200020672517 [0,2,0,0,0,0|2,0,0]=4 3874 B17R2.5300 Cc1cc(ccn1)CSc2cc(ncn2)N 62a_200020672517_100000701291 [0,2,0,0,0,0|2,0,0]=4 3875 B17R2.5300 Cc1cc(ccn1)CSc2cc(ncn2)O 62a_200020672517_100000765262 [0,2,0,0,0,0|2,0,0]=4 3876 B17R2.5300 Cc1cc(ccn1)CSc2cc[nH]c(=O)c2 62a_100009816521_200020672517 [0,2,0,0,0,0|1,0,1]=4 3877 B17R2.5300 Cc1cc(ccn1)CSc2cc[nH]c(=O)c2 62a_200020672517_100009816521 [0,2,0,0,0,0|1,0,1]=4 3878 B17R2.5300 Cc1cc(ccn1)CSc2cccc(c2)Br 62a_100000691529_200020672517 [0,2,0,0,0,0|2,0,0]=4 3879 B17R2.5300 Cc1cc(ccn1)CSc2cccc(c2)Br 62a_200020672517_100000691529 [0,2,0,0,0,0|2,0,0]=4 3880 B17R2.5300 Cc1cc(ccn1)CSc2cccc(c2)Cl 62a_100000699651_200020672517 [0,2,0,0,0,0|2,0,0]=4 3881 B17R2.5300 Cc1cc(ccn1)CSc2cccc(c2)Cl 62a_200020672517_100000699651 [0,2,0,0,0,0|2,0,0]=4 3882 B17R2.5300 Cc1cc(ccn1)CSc2cccc(c2)F 62a_100000685547_200020672517 [0,2,0,0,0,0|2,0,0]=4 3883 B17R2.5300 Cc1cc(ccn1)CSc2cccc(c2)F 62a_200020672517_100000685547 [0,2,0,0,0,0|2,0,0]=4 3884 B17R2.5300 Cc1cc(ccn1)CSc2cccc(c2)N 62a_100000210019_200020672517 [0,2,0,0,0,0|2,0,0]=4 3885 B17R2.5300 Cc1cc(ccn1)CSc2cccc(c2)N 62a_200020672517_100000210019 [0,2,0,0,0,0|2,0,0]=4 3886 B17R2.5300 Cc1cc(ccn1)CSc2cccc(c2)O 62a_200020672517_100000211634 [0,2,0,0,0,0|2,0,0]=4 3887 B17R2.5300 Cc1cc(ccn1)CSc2cccc(c2)[S] 62a_114929384022_200020672517 [0,2,0,0,0,0|2,0,0]=4 3888 B17R2.5300 Cc1cc(ccn1)CSc2cccc(c2)[S] 62a_200020672517_114929384022 [0,2,0,0,0,0|2,0,0]=4 3889 B17R2.5300 Cc1cc(ccn1)CSc2ccnc(c2)Br 62a_100009814637_200020672517 [0,2,0,0,0,0|1,0,0]=3 3890 B17R2.5300 Cc1cc(ccn1)CSc2ccnc(c2)Br 62a_200020672517_100009814637 [0,2,0,0,0,0|1,0,0]=3 3891 B17R2.5300 Cc1cc(ccn1)CSc2ccnc(c2)C 62a_100000758586_200020672517 [0,2,0,0,0,0|1,0,0]=3 3892 B17R2.5300 Cc1cc(ccn1)CSc2ccnc(c2)C 62a_200020672517_100000758586 [0,2,0,0,0,0|1,0,0]=3 3893 B17R2.5300 Cc1cc(ccn1)CSc2ccnc(c2)Cl 62a_100000035001_200020672517 [0,2,0,0,0,0|1,0,0]=3 3894 B17R2.5300 Cc1cc(ccn1)CSc2ccnc(c2)Cl 62a_200020672517_100000035001 [0,2,0,0,0,0|1,0,0]=3 3895 B17R2.5300 Cc1cc(ccn1)CSc2ccnc(c2)F 62a_100009816116_200020672517 [0,2,0,0,0,0|1,0,0]=3 3896 B17R2.5300 Cc1cc(ccn1)CSc2ccnc(c2)F 62a_200020672517_100009816116 [0,2,0,0,0,0|1,0,0]=3 3897 B17R2.5300 Cc1cc(ccn1)CSc2ccnc(c2)N 62a_100000049665_200020672517 [0,2,0,0,0,0|1,0,0]=3 3898 B17R2.5300 Cc1cc(ccn1)CSc2ccnc(c2)N 62a_200020672517_100000049665 [0,2,0,0,0,0|1,0,0]=3 3899 B17R2.5300 Cc1cc(ccn1)CSc2ccnc(n2)C 62a_100000749937_200020672517 [0,2,0,0,0,0|2,0,0]=4 3900 B17R2.5300 Cc1cc(ccn1)CSc2ccnc(n2)C 62a_200020672517_100000749937 [0,2,0,0,0,0|2,0,0]=4 3901 B17R2.5300 Cc1cc(ccn1)CSc2ccnc(n2)Cl 62a_100010154678_200020672517 [0,2,0,0,0,0|2,0,0]=4 3902 B17R2.5300 Cc1cc(ccn1)CSc2ccnc(n2)Cl 62a_200020672517_100010154678 [0,2,0,0,0,0|2,0,0]=4 3903 B17R2.5300 Cc1cc(ccn1)CSc2ccnc(n2)N 62a_100000055538_200020672517 [0,2,0,0,0,0|2,0,0]=4 3904 B17R2.5300 Cc1cc(ccn1)CSc2ccnc(n2)N 62a_200020672517_100000055538 [0,2,0,0,0,0|2,0,0]=4 3905 B17R2.5300 Cc1cc(ccn1)CSc2cnnc(c2)N 62a_100000130277_200020672517 [0,2,0,0,0,0|2,0,0]=4 3906 B17R2.5300 Cc1cc(ccn1)CSc2cnnc(c2)N 62a_200020672517_100000130277 [0,2,0,0,0,0|2,0,0]=4 3907 B17R2.5300 Cc1cc(ccn1)NCc2ccnc(c2)Br 27a_100025757509_100000758586 [0,2,0,0,0,0|2,0,0]=4 3908 B17R2.5300 Cc1cc(ccn1)NCc2ccnc(c2)Cl 27a_100015205668_100000758586 [0,2,0,0,0,0|2,0,0]=4 3909 B17R2.5300 Cc1cc(ccn1)NCc2ccnc(c2)F 27a_100015188774_100000758586 [0,2,0,0,0,0|2,0,0]=4 3910 B17R2.5300 Cc1cc(ccn1)NCc2ccnc(c2)O 27a_100000748557_100000758586 [0,2,0,0,0,0|2,0,0]=4 3911 B17R2.5300 Cc1cc(ccn1)OCc2ccnc(c2)Br 34a_100000688365_100010243470 [0,2,0,0,0,0|1,1,0]=4 3912 B17R2.5300 Cc1cc(ccn1)OCc2ccnc(c2)Cl 34a_100000688365_100000764220 [0,2,0,0,0,0|1,1,0]=4 3913 B17R2.5300 Cc1cc(ccn1)SCc2cccc(c2)Br 62a_100000211773_100000758586 [0,2,0,0,0,0|2,0,0]=4 3914 B17R2.5300 Cc1cc(ccn1)SCc2cccc(c2)Br 62a_100000758586_100000211773 [0,2,0,0,0,0|2,0,0]=4 3915 B17R2.5300 Cc1cc(ccn1)SCc2cccc(c2)Cl 62a_100000187163_100000758586 [0,2,0,0,0,0|2,0,0]=4 3916 B17R2.5300 Cc1cc(ccn1)SCc2cccc(c2)Cl 62a_100000758586_100000187163 [0,2,0,0,0,0|2,0,0]=4 3917 B17R2.5300 Cc1cc(ccn1)SCc2cccc(c2)F 62a_100000230114_100000758586 [0,2,0,0,0,0|2,0,0]=4 3918 B17R2.5300 Cc1cc(ccn1)SCc2cccc(c2)F 62a_100000758586_100000230114 [0,2,0,0,0,0|2,0,0]=4 3919 B17R2.5300 Cc1cc(ccn1)SCc2cccc(c2)I 62a_100000758586_100011218688 [0,2,0,0,0,0|2,0,0]=4 3920 B17R2.5300 Cc1cc(ccn1)SCc2cccc(c2)I 62a_100011218688_100000758586 [0,2,0,0,0,0|2,0,0]=4 3921 B17R2.5300 Cc1cc(ccn1)SCc2cccc(c2)O 62a_100000758586_100011660834 [0,2,0,0,0,0|2,0,0]=4 3922 B17R2.5300 Cc1cc(ccn1)SCc2cccc(c2)O 62a_100011660834_100000758586 [0,2,0,0,0,0|2,0,0]=4 3923 B17R2.5300 Cc1cc(ccn1)SCc2ccnc(c2)Br 62a_100000758586_100010243470 [0,2,0,0,0,0|1,0,0]=3 3924 B17R2.5300 Cc1cc(ccn1)SCc2ccnc(c2)Br 62a_100010254460_100000758586 [0,2,0,0,0,0|1,0,0]=3 3925 B17R2.5300 Cc1cc(ccn1)SCc2ccnc(c2)Cl 62a_100000758586_100000764220 [0,2,0,0,0,0|1,0,0]=3 3926 B17R2.5300 Cc1cc(ccn1)SCc2ccnc(c2)Cl 62a_100000764220_100000758586 [0,2,0,0,0,0|1,0,0]=3 3927 B17R2.5300 Cc1cc(ccn1)SCc2ccnc(n2)Cl 62a_100000099655_100000758586 [0,2,0,0,0,0|2,0,0]=4 3928 B17R2.5300 Cc1cc(ccn1)SCc2ccnc(n2)Cl 62a_100000758586_100000099655 [0,2,0,0,0,0|2,0,0]=4 3929 B17R2.5300 Cc1cc(ncn1)SCc2ccnc(c2)Br 62a_100000744208_100010243470 [0,2,0,0,0,0|2,0,0]=4 3930 B17R2.5300 Cc1cc(ncn1)SCc2ccnc(c2)Br 62a_100010254460_100000744208 [0,2,0,0,0,0|2,0,0]=4 3931 B17R2.5300 Cc1cc(ncn1)SCc2ccnc(c2)Cl 62a_100000744208_100000764220 [0,2,0,0,0,0|2,0,0]=4 3932 B17R2.5300 Cc1cc(ncn1)SCc2ccnc(c2)Cl 62a_100000764220_100000744208 [0,2,0,0,0,0|2,0,0]=4 3933 B17R2.5300 Cc1cccc(c1)CSc2ccnc(c2)Br 62a_100000211840_100009814637 [0,2,0,0,0,0|2,0,0]=4 3934 B17R2.5300 Cc1cccc(c1)CSc2ccnc(c2)Br 62a_100009814637_100000211840 [0,2,0,0,0,0|2,0,0]=4 3935 B17R2.5300 Cc1cccc(c1)CSc2ccnc(c2)C 62a_100000211840_100000758586 [0,2,0,0,0,0|2,0,0]=4 3936 B17R2.5300 Cc1cccc(c1)CSc2ccnc(c2)C 62a_100000758586_100000211840 [0,2,0,0,0,0|2,0,0]=4 3937 B17R2.5300 Cc1cccc(c1)CSc2ccnc(c2)Cl 62a_100000035001_100000211840 [0,2,0,0,0,0|2,0,0]=4 3938 B17R2.5300 Cc1cccc(c1)CSc2ccnc(c2)Cl 62a_100000211840_100000035001 [0,2,0,0,0,0|2,0,0]=4 3939 B17R2.5300 Cc1cccc(c1)CSc2ccnc(c2)F 62a_100000211840_100009816116 [0,2,0,0,0,0|2,0,0]=4 3940 B17R2.5300 Cc1cccc(c1)CSc2ccnc(c2)F 62a_100009816116_100000211840 [0,2,0,0,0,0|2,0,0]=4 3941 B17R2.5300 Cc1cccc(c1)CSc2ccnc(c2)N 62a_100000049665_100000211840 [0,2,0,0,0,0|2,0,0]=4 3942 B17R2.5300 Cc1cccc(c1)CSc2ccnc(c2)N 62a_100000211840_100000049665 [0,2,0,0,0,0|2,0,0]=4 3943 B17R2.5300 Cc1cccc(c1)SCc2ccnc(c2)Br 62a_100010254460_100011215228 [0,2,0,0,0,0|2,0,0]=4 3944 B17R2.5300 Cc1cccc(c1)SCc2ccnc(c2)Br 62a_100011215228_100010243470 [0,2,0,0,0,0|2,0,0]=4 3945 B17R2.5300 Cc1cccc(c1)SCc2ccnc(c2)C 62a_100011215228_200020672517 [0,2,0,0,0,0|2,0,0]=4 3946 B17R2.5300 Cc1cccc(c1)SCc2ccnc(c2)C 62a_200020672517_100011215228 [0,2,0,0,0,0|2,0,0]=4 3947 B17R2.5300 Cc1cccc(c1)SCc2ccnc(c2)Cl 62a_100000764220_100011215228 [0,2,0,0,0,0|2,0,0]=4 3948 B17R2.5300 Cc1cccc(c1)SCc2ccnc(c2)Cl 62a_100011215228_100000764220 [0,2,0,0,0,0|2,0,0]=4 3949 B17R2.5300 Cc1nccc(n1)SCc2ccnc(c2)Br 62a_100000749937_100010243470 [0,2,0,0,0,0|2,0,0]=4 3950 B17R2.5300 Cc1nccc(n1)SCc2ccnc(c2)Br 62a_100010254460_100000749937 [0,2,0,0,0,0|2,0,0]=4 3951 B17R2.5300 Cc1nccc(n1)SCc2ccnc(c2)Cl 62a_100000749937_100000764220 [0,2,0,0,0,0|2,0,0]=4 3952 B17R2.5300 Cc1nccc(n1)SCc2ccnc(c2)Cl 62a_100000764220_100000749937 [0,2,0,0,0,0|2,0,0]=4 3953 B17R2.5300 Clc1cc(ccn1)COc2ccnc(c2)Cl 34a_100000762945_100000764220 [0,2,0,0,0,0|1,1,0]=4 3954 B17R2.5300 Clc1cc(ccn1)CSc2cc(ncn2)Cl 62a_100000764220_100010161198 [0,2,0,0,0,0|2,0,0]=4 3955 B17R2.5300 Clc1cc(ccn1)CSc2cc(ncn2)Cl 62a_100010161198_100000764220 [0,2,0,0,0,0|2,0,0]=4 3956 B17R2.5300 Clc1cc(ccn1)CSc2cccc(c2)Br 62a_100000691529_100000764220 [0,2,0,0,0,0|2,0,0]=4 3957 B17R2.5300 Clc1cc(ccn1)CSc2cccc(c2)Br 62a_100000764220_100000691529 [0,2,0,0,0,0|2,0,0]=4 3958 B17R2.5300 Clc1cc(ccn1)CSc2ccnc(c2)Br 62a_100000764220_100009814637 [0,2,0,0,0,0|1,0,0]=3 3959 B17R2.5300 Clc1cc(ccn1)CSc2ccnc(c2)Br 62a_100009814637_100000764220 [0,2,0,0,0,0|1,0,0]=3 3960 B17R2.5300 Clc1cc(ccn1)CSc2ccnc(c2)Cl 62a_100000035001_100000764220 [0,2,0,0,0,0|1,0,0]=3 3961 B17R2.5300 Clc1cc(ccn1)CSc2ccnc(c2)Cl 62a_100000764220_100000035001 [0,2,0,0,0,0|1,0,0]=3 3962 B17R2.5300 Clc1cc(ccn1)CSc2ccnc(n2)Cl 62a_100000764220_100010154678 [0,2,0,0,0,0|2,0,0]=4 3963 B17R2.5300 Clc1cc(ccn1)CSc2ccnc(n2)Cl 62a_100010154678_100000764220 [0,2,0,0,0,0|2,0,0]=4 3964 B17R2.5300 Clc1cc(ccn1)OCc2ccnc(c2)Br 34a_100000762945_100010243470 [0,2,0,0,0,0|1,1,0]=4 3965 B17R2.5300 Clc1cc(ccn1)SCc2cccc(c2)Br 62a_100000035001_100000211773 [0,2,0,0,0,0|2,0,0]=4 3966 B17R2.5300 Clc1cc(ccn1)SCc2cccc(c2)Br 62a_100000211773_100000035001 [0,2,0,0,0,0|2,0,0]=4 3967 B17R2.5300 Clc1cc(ccn1)SCc2cccc(c2)I 62a_100000035001_100011218688 [0,2,0,0,0,0|2,0,0]=4 3968 B17R2.5300 Clc1cc(ccn1)SCc2cccc(c2)I 62a_100011218688_100000035001 [0,2,0,0,0,0|2,0,0]=4 3969 B17R2.5300 Clc1cc(ccn1)SCc2ccnc(c2)Br 62a_100000035001_100010243470 [0,2,0,0,0,0|1,0,0]=3 3970 B17R2.5300 Clc1cc(ccn1)SCc2ccnc(c2)Br 62a_100010254460_100000035001 [0,2,0,0,0,0|1,0,0]=3 3971 B17R2.5300 Clc1cc(ccn1)SCc2ccnc(n2)Cl 62a_100000035001_100000099655 [0,2,0,0,0,0|2,0,0]=4 3972 B17R2.5300 Clc1cc(ccn1)SCc2ccnc(n2)Cl 62a_100000099655_100000035001 [0,2,0,0,0,0|2,0,0]=4 3973 B17R2.5300 Clc1cc(ncn1)SCc2ccnc(c2)Br 62a_100010161198_100010243470 [0,2,0,0,0,0|2,0,0]=4 3974 B17R2.5300 Clc1cc(ncn1)SCc2ccnc(c2)Br 62a_100010254460_100010161198 [0,2,0,0,0,0|2,0,0]=4 3975 B17R2.5300 Clc1cccc(c1)CSc2ccnc(c2)Br 62a_100000187163_100009814637 [0,2,0,0,0,0|2,0,0]=4 3976 B17R2.5300 Clc1cccc(c1)CSc2ccnc(c2)Br 62a_100009814637_100000187163 [0,2,0,0,0,0|2,0,0]=4 3977 B17R2.5300 Clc1cccc(c1)CSc2ccnc(c2)Cl 62a_100000035001_100000187163 [0,2,0,0,0,0|2,0,0]=4 3978 B17R2.5300 Clc1cccc(c1)CSc2ccnc(c2)Cl 62a_100000187163_100000035001 [0,2,0,0,0,0|2,0,0]=4 3979 B17R2.5300 Clc1cccc(c1)SCc2ccnc(c2)Br 62a_100000699651_100010243470 [0,2,0,0,0,0|2,0,0]=4 3980 B17R2.5300 Clc1cccc(c1)SCc2ccnc(c2)Br 62a_100010254460_100000699651 [0,2,0,0,0,0|2,0,0]=4 3981 B17R2.5300 Clc1cccc(c1)SCc2ccnc(c2)Cl 62a_100000699651_100000764220 [0,2,0,0,0,0|2,0,0]=4 3982 B17R2.5300 Clc1cccc(c1)SCc2ccnc(c2)Cl 62a_100000764220_100000699651 [0,2,0,0,0,0|2,0,0]=4 3983 B17R2.5300 Clc1nccc(n1)CSc2ccnc(c2)Br 62a_100000099655_100009814637 [0,2,0,0,0,0|2,0,0]=4 3984 B17R2.5300 Clc1nccc(n1)CSc2ccnc(c2)Br 62a_100009814637_100000099655 [0,2,0,0,0,0|2,0,0]=4 3985 B17R2.5300 Clc1nccc(n1)SCc2ccnc(c2)Br 62a_100010154678_100010243470 [0,2,0,0,0,0|2,0,0]=4 3986 B17R2.5300 Clc1nccc(n1)SCc2ccnc(c2)Br 62a_100010254460_100010154678 [0,2,0,0,0,0|2,0,0]=4 3987 B17R2.5300 Fc1cc(ccn1)CNc2ccnc(c2)F 27a_100015188774_100009816116 [0,2,0,0,0,0|2,0,0]=4 3988 B17R2.5300 Fc1cc(ccn1)NCc2ccnc(c2)Br 27a_100025757509_100009816116 [0,2,0,0,0,0|2,0,0]=4 3989 B17R2.5300 Fc1cc(ccn1)NCc2ccnc(c2)Cl 27a_100015205668_100009816116 [0,2,0,0,0,0|2,0,0]=4 3990 B17R2.5300 Fc1cc(ccn1)OCc2ccnc(c2)Br 34a_100000732698_100010243470 [0,2,0,0,0,0|1,1,0]=4 3991 B17R2.5300 Fc1cc(ccn1)OCc2ccnc(c2)Cl 34a_100000732698_100000764220 [0,2,0,0,0,0|1,1,0]=4 3992 B17R2.5300 Fc1cc(ccn1)SCc2cccc(c2)Br 62a_100000211773_100009816116 [0,2,0,0,0,0|2,0,0]=4 3993 B17R2.5300 Fc1cc(ccn1)SCc2cccc(c2)Br 62a_100009816116_100000211773 [0,2,0,0,0,0|2,0,0]=4 3994 B17R2.5300 Fc1cc(ccn1)SCc2cccc(c2)Cl 62a_100000187163_100009816116 [0,2,0,0,0,0|2,0,0]=4 3995 B17R2.5300 Fc1cc(ccn1)SCc2cccc(c2)Cl 62a_100009816116_100000187163 [0,2,0,0,0,0|2,0,0]=4 3996 B17R2.5300 Fc1cc(ccn1)SCc2cccc(c2)I 62a_100009816116_100011218688 [0,2,0,0,0,0|2,0,0]=4 3997 B17R2.5300 Fc1cc(ccn1)SCc2cccc(c2)I 62a_100011218688_100009816116 [0,2,0,0,0,0|2,0,0]=4 3998 B17R2.5300 Fc1cc(ccn1)SCc2ccnc(c2)Br 62a_100009816116_100010243470 [0,2,0,0,0,0|1,0,0]=3 3999 B17R2.5300 Fc1cc(ccn1)SCc2ccnc(c2)Br 62a_100010254460_100009816116 [0,2,0,0,0,0|1,0,0]=3 4000 B17R2.5300 Fc1cc(ccn1)SCc2ccnc(c2)Cl 62a_100000764220_100009816116 [0,2,0,0,0,0|1,0,0]=3 4001 B17R2.5300 Fc1cc(ccn1)SCc2ccnc(c2)Cl 62a_100009816116_100000764220 [0,2,0,0,0,0|1,0,0]=3 4002 B17R2.5300 Fc1cc(ccn1)SCc2ccnc(n2)Cl 62a_100000099655_100009816116 [0,2,0,0,0,0|2,0,0]=4 4003 B17R2.5300 Fc1cc(ccn1)SCc2ccnc(n2)Cl 62a_100009816116_100000099655 [0,2,0,0,0,0|2,0,0]=4 4004 B17R2.5300 Fc1cc(ncn1)SCc2ccnc(c2)Br 62a_100010254460_200009880791 [0,2,0,0,0,0|2,0,0]=4 4005 B17R2.5300 Fc1cc(ncn1)SCc2ccnc(c2)Br 62a_200009880791_100010243470 [0,2,0,0,0,0|2,0,0]=4 4006 B17R2.5300 Fc1cc(ncn1)SCc2ccnc(c2)Cl 62a_100000764220_200009880791 [0,2,0,0,0,0|2,0,0]=4 4007 B17R2.5300 Fc1cc(ncn1)SCc2ccnc(c2)Cl 62a_200009880791_100000764220 [0,2,0,0,0,0|2,0,0]=4 4008 B17R2.5300 Fc1cccc(c1)CSc2ccnc(c2)Br 62a_100000230114_100009814637 [0,2,0,0,0,0|2,0,0]=4 4009 B17R2.5300 Fc1cccc(c1)CSc2ccnc(c2)Br 62a_100009814637_100000230114 [0,2,0,0,0,0|2,0,0]=4 4010 B17R2.5300 Fc1cccc(c1)CSc2ccnc(c2)Cl 62a_100000035001_100000230114 [0,2,0,0,0,0|2,0,0]=4 4011 B17R2.5300 Fc1cccc(c1)CSc2ccnc(c2)Cl 62a_100000230114_100000035001 [0,2,0,0,0,0|2,0,0]=4 4012 B17R2.5300 Fc1cccc(c1)CSc2ccnc(c2)F 62a_100000230114_100009816116 [0,2,0,0,0,0|2,0,0]=4 4013 B17R2.5300 Fc1cccc(c1)CSc2ccnc(c2)F 62a_100009816116_100000230114 [0,2,0,0,0,0|2,0,0]=4 4014 B17R2.5300 Fc1cccc(c1)SCc2ccnc(c2)Br 62a_100000685547_100010243470 [0,2,0,0,0,0|2,0,0]=4 4015 B17R2.5300 Fc1cccc(c1)SCc2ccnc(c2)Br 62a_100010254460_100000685547 [0,2,0,0,0,0|2,0,0]=4 4016 B17R2.5300 Fc1cccc(c1)SCc2ccnc(c2)Cl 62a_100000685547_100000764220 [0,2,0,0,0,0|2,0,0]=4 4017 B17R2.5300 Fc1cccc(c1)SCc2ccnc(c2)Cl 62a_100000764220_100000685547 [0,2,0,0,0,0|2,0,0]=4 4018 B17R2.5300 Nc1cc(ccn1)OCc2ccnc(c2)Br 34a_100011834064_100010243470 [0,2,0,0,0,0|1,1,0]=4 4019 B17R2.5300 Nc1cc(ccn1)OCc2ccnc(c2)Cl 34a_100011834064_100000764220 [0,2,0,0,0,0|1,1,0]=4 4020 B17R2.5300 Nc1cc(ccn1)SCc2cccc(c2)Br 62a_100000049665_100000211773 [0,2,0,0,0,0|2,0,0]=4 4021 B17R2.5300 Nc1cc(ccn1)SCc2cccc(c2)Br 62a_100000211773_100000049665 [0,2,0,0,0,0|2,0,0]=4 4022 B17R2.5300 Nc1cc(ccn1)SCc2cccc(c2)Cl 62a_100000049665_100000187163 [0,2,0,0,0,0|2,0,0]=4 4023 B17R2.5300 Nc1cc(ccn1)SCc2cccc(c2)Cl 62a_100000187163_100000049665 [0,2,0,0,0,0|2,0,0]=4 4024 B17R2.5300 Nc1cc(ccn1)SCc2cccc(c2)F 62a_100000049665_100000230114 [0,2,0,0,0,0|2,0,0]=4 4025 B17R2.5300 Nc1cc(ccn1)SCc2cccc(c2)F 62a_100000230114_100000049665 [0,2,0,0,0,0|2,0,0]=4 4026 B17R2.5300 Nc1cc(ccn1)SCc2cccc(c2)I 62a_100000049665_100011218688 [0,2,0,0,0,0|2,0,0]=4 4027 B17R2.5300 Nc1cc(ccn1)SCc2cccc(c2)I 62a_100011218688_100000049665 [0,2,0,0,0,0|2,0,0]=4 4028 B17R2.5300 Nc1cc(ccn1)SCc2cccc(c2)O 62a_100000049665_100011660834 [0,2,0,0,0,0|2,0,0]=4 4029 B17R2.5300 Nc1cc(ccn1)SCc2cccc(c2)O 62a_100011660834_100000049665 [0,2,0,0,0,0|2,0,0]=4 4030 B17R2.5300 Nc1cc(ccn1)SCc2ccnc(c2)Br 62a_100000049665_100010243470 [0,2,0,0,0,0|1,0,0]=3 4031 B17R2.5300 Nc1cc(ccn1)SCc2ccnc(c2)Br 62a_100010254460_100000049665 [0,2,0,0,0,0|1,0,0]=3 4032 B17R2.5300 Nc1cc(ccn1)SCc2ccnc(c2)Cl 62a_100000049665_100000764220 [0,2,0,0,0,0|1,0,0]=3 4033 B17R2.5300 Nc1cc(ccn1)SCc2ccnc(c2)Cl 62a_100000764220_100000049665 [0,2,0,0,0,0|1,0,0]=3 4034 B17R2.5300 Nc1cc(ccn1)SCc2ccnc(n2)Cl 62a_100000049665_100000099655 [0,2,0,0,0,0|2,0,0]=4 4035 B17R2.5300 Nc1cc(ccn1)SCc2ccnc(n2)Cl 62a_100000099655_100000049665 [0,2,0,0,0,0|2,0,0]=4 4036 B17R2.5300 Nc1cc(cnn1)SCc2ccnc(c2)Br 62a_100000130277_100010243470 [0,2,0,0,0,0|2,0,0]=4 4037 B17R2.5300 Nc1cc(cnn1)SCc2ccnc(c2)Br 62a_100010254460_100000130277 [0,2,0,0,0,0|2,0,0]=4 4038 B17R2.5300 Nc1cc(cnn1)SCc2ccnc(c2)Cl 62a_100000130277_100000764220 [0,2,0,0,0,0|2,0,0]=4 4039 B17R2.5300 Nc1cc(cnn1)SCc2ccnc(c2)Cl 62a_100000764220_100000130277 [0,2,0,0,0,0|2,0,0]=4 4040 B17R2.5300 Nc1cc(ncn1)SCc2ccnc(c2)Br 62a_100000701291_100010243470 [0,2,0,0,0,0|2,0,0]=4 4041 B17R2.5300 Nc1cc(ncn1)SCc2ccnc(c2)Br 62a_100010254460_100000701291 [0,2,0,0,0,0|2,0,0]=4 4042 B17R2.5300 Nc1cc(ncn1)SCc2ccnc(c2)Cl 62a_100000701291_100000764220 [0,2,0,0,0,0|2,0,0]=4 4043 B17R2.5300 Nc1cc(ncn1)SCc2ccnc(c2)Cl 62a_100000764220_100000701291 [0,2,0,0,0,0|2,0,0]=4 4044 B17R2.5300 Nc1cccc(c1)SCc2ccnc(c2)Br 62a_100000210019_100010243470 [0,2,0,0,0,0|2,0,0]=4 4045 B17R2.5300 Nc1cccc(c1)SCc2ccnc(c2)Br 62a_100010254460_100000210019 [0,2,0,0,0,0|2,0,0]=4 4046 B17R2.5300 Nc1cccc(c1)SCc2ccnc(c2)Cl 62a_100000210019_100000764220 [0,2,0,0,0,0|2,0,0]=4 4047 B17R2.5300 Nc1cccc(c1)SCc2ccnc(c2)Cl 62a_100000764220_100000210019 [0,2,0,0,0,0|2,0,0]=4 4048 B17R2.5300 Nc1nccc(n1)SCc2ccnc(c2)Br 62a_100000055538_100010243470 [0,2,0,0,0,0|2,0,0]=4 4049 B17R2.5300 Nc1nccc(n1)SCc2ccnc(c2)Br 62a_100010254460_100000055538 [0,2,0,0,0,0|2,0,0]=4 4050 B17R2.5300 Nc1nccc(n1)SCc2ccnc(c2)Cl 62a_100000055538_100000764220 [0,2,0,0,0,0|2,0,0]=4 4051 B17R2.5300 Nc1nccc(n1)SCc2ccnc(c2)Cl 62a_100000764220_100000055538 [0,2,0,0,0,0|2,0,0]=4 4052 B17R2.5300 O=c1cc(cc[nH]1)SCc2ccnc(c2)Br 62a_100009816521_100010243470 [0,2,0,0,0,0|1,0,1]=4 4053 B17R2.5300 O=c1cc(cc[nH]1)SCc2ccnc(c2)Br 62a_100010254460_100009816521 [0,2,0,0,0,0|1,0,1]=4 4054 B17R2.5300 O=c1cc(cc[nH]1)SCc2ccnc(c2)Cl 62a_100000764220_100009816521 [0,2,0,0,0,0|1,0,1]=4 4055 B17R2.5300 O=c1cc(cc[nH]1)SCc2ccnc(c2)Cl 62a_100009816521_100000764220 [0,2,0,0,0,0|1,0,1]=4 4056 B17R2.5300 Oc1cc(ccn1)CNc2ccnc(c2)F 27a_100000748557_100009816116 [0,2,0,0,0,0|2,0,0]=4 4057 B17R2.5300 Oc1cc(ncn1)SCc2ccnc(c2)Br 62a_100010254460_100000765262 [0,2,0,0,0,0|2,0,0]=4 4058 B17R2.5300 Oc1cc(ncn1)SCc2ccnc(c2)Cl 62a_100000764220_100000765262 [0,2,0,0,0,0|2,0,0]=4 4059 B17R2.5300 Oc1cccc(c1)CSc2ccnc(c2)Br 62a_100009814637_100011660834 [0,2,0,0,0,0|2,0,0]=4 4060 B17R2.5300 Oc1cccc(c1)CSc2ccnc(c2)Br 62a_100011660834_100009814637 [0,2,0,0,0,0|2,0,0]=4 4061 B17R2.5300 Oc1cccc(c1)CSc2ccnc(c2)Cl 62a_100000035001_100011660834 [0,2,0,0,0,0|2,0,0]=4 4062 B17R2.5300 Oc1cccc(c1)CSc2ccnc(c2)Cl 62a_100011660834_100000035001 [0,2,0,0,0,0|2,0,0]=4 4063 B17R2.5300 Oc1cccc(c1)CSc2ccnc(c2)F 62a_100009816116_100011660834 [0,2,0,0,0,0|2,0,0]=4 4064 B17R2.5300 Oc1cccc(c1)CSc2ccnc(c2)F 62a_100011660834_100009816116 [0,2,0,0,0,0|2,0,0]=4 4065 B17R2.5300 Oc1cccc(c1)SCc2ccnc(c2)Br 62a_100010254460_100000211634 [0,2,0,0,0,0|2,0,0]=4 4066 B17R2.5300 Oc1cccc(c1)SCc2ccnc(c2)Cl 62a_100000764220_100000211634 [0,2,0,0,0,0|2,0,0]=4 4067 B17R2.5300 [S]c1cccc(c1)SCc2ccnc(c2)Br 62a_100010254460_114929384022 [0,2,0,0,0,0|2,0,0]=4 4068 B17R2.5300 [S]c1cccc(c1)SCc2ccnc(c2)Br 62a_114929384022_100010243470 [0,2,0,0,0,0|2,0,0]=4 4069 B17R2.5300 [S]c1cccc(c1)SCc2ccnc(c2)Cl 62a_100000764220_114929384022 [0,2,0,0,0,0|2,0,0]=4 4070 B17R2.5300 [S]c1cccc(c1)SCc2ccnc(c2)Cl 62a_114929384022_100000764220 [0,2,0,0,0,0|2,0,0]=4 4071 B17R3.8 c1cc(ccn1)c2c[nH]c3c2cncc3 271570a_100000752145_100011934843 [0,0,0,1,0,1|2,0,0]=4 4072 B17R3.8 c1cc(ccn1)c2csc3c2cncc3 271570a_100000752145_100010247091 [0,0,0,1,0,1|1,0,0]=3 4073 B17R3.8 c1cc(ccn1)c2n[nH]c3c2cncc3 271570a_100000752145_100010724670 [0,0,0,1,0,1|2,0,0]=4 4074 B17R3.8 c1ccc(cc1)c2csc3c2cncc3 271570a_100011218836_100010247091 [0,0,0,1,0,1|2,0,0]=4 4075 B17R3.8 c1ccc2c(csc2c1)c3ccncc3 271570a_100000038073_100000035832 [0,0,0,1,0,1|2,0,0]=4 4076 B17R3.8 c1ccc2c(csc2c1)c3ccncc3 271570a_100000752145_100009813928 [0,0,0,1,0,1|2,0,0]=4 4077 B17R3.1939 c1ccc2c(c1)CC2Sc3ccncc3 62a_100000728582_100009813401 [0,0,0,1,0,1|2,0,0]=4 4078 B17R3.1939 c1ccc2c(c1)CC2Sc3ccncc3 62a_100009813401_100000728582 [0,0,0,1,0,1|2,0,0]=4 4079 B17R3.8708 c1ccc2sc(cc2c1)c3ccncc3 271570a_100000034353_100000035832 [0,1,0,1,0,0|2,0,0]=4 4080 B17R3.8708 c1ccc2sc(cc2c1)c3ccncc3 271570a_100000752145_100009816949 [0,1,0,1,0,0|2,0,0]=4 4081 B17R3.8708 c1ccc2sc(nc2c1)c3ccncc3 271570a_100000752145_100000751744 [0,1,0,1,0,0|2,0,0]=4 4082 B17R3.8708 c1ccc2sc(nc2c1)c3ccncc3 271570a_200000082171_100000035832 [0,1,0,1,0,0|2,0,0]=4 4083 B13R2.3 c1cc(ccn1)c2ccncc2 271570a_100000752145_100000035832 [0,0,0,0,2,0|0,0,0]=2 4084 B13R2.3 c1cc(ccn1)c2ccncn2 271570a_100000752145_100000703185 [0,0,0,0,2,0|1,0,0]=3 4085 B13R2.3 c1cc(ccn1)c2ccnnc2 271570a_100000752145_100000732662 [0,0,0,0,2,0|1,0,0]=3 4086 B13R2.3 c1cc(ccn1)c2cnnnc2 271570a_100000752145_100009846058 [0,0,0,0,2,0|2,0,0]=4 4087 B13R2.3 c1ccc(cc1)c2ccccc2 271570a_100011218836_100000210277 [0,0,0,0,2,0|2,0,0]=4 4088 B13R2.3 c1ccc(cc1)c2ccncc2 271570a_100000752145_100000210277 [0,0,0,0,2,0|1,0,0]=3 4089 B13R2.3 c1ccc(cc1)c2ccncc2 271570a_100011218836_100000035832 [0,0,0,0,2,0|1,0,0]=3 4090 B13R2.3 c1ccc(cc1)c2ccncn2 271570a_100011218836_100000703185 [0,0,0,0,2,0|2,0,0]=4 4091 B13R2.3 c1ccc(cc1)c2ccnnc2 271570a_100011218836_100000732662 [0,0,0,0,2,0|2,0,0]=4 4092 B13R2.3 c1ccc(nc1)c2ccncc2 271570a_100000752145_100011216584 [0,0,0,0,2,0|2,0,0]=4 4093 B13R2.3 c1ccc(nc1)c2ccncc2 271570a_100011264011_100000035832 [0,0,0,0,2,0|2,0,0]=4 4094 B13R2.3 c1cncc(c1)c2ccncc2 271570a_100000752145_100000752921 [0,0,0,0,2,0|2,0,0]=4 4095 B13R2.3 c1cncc(c1)c2ccncc2 271570a_100000757648_100000035832 [0,0,0,0,2,0|2,0,0]=4 4096 B13R2.64 c1cc(ccn1)Sc2c[nH]cn2 62a_100000728582_100000756875 [0,0,0,0,2,0|1,0,1]=4 4097 B13R2.64 c1cc(ccn1)Sc2c[nH]cn2 62a_100000756875_100000728582 [0,0,0,0,2,0|1,0,1]=4 4098 B13R2.64 c1cc(ccn1)Sc2c[nH]nn2 62a_100000728582_100009819707 [0,0,0,0,2,0|2,0,0]=4 4099 B13R2.64 c1cc(ccn1)Sc2c[nH]nn2 62a_100009819707_100000728582 [0,0,0,0,2,0|2,0,0]=4 4100 B13R2.64 c1cc(ccn1)Sc2cc[nH]n2 62a_100000062575_100000728582 [0,0,0,0,2,0|1,0,1]=4 4101 B13R2.64 c1cc(ccn1)Sc2cc[nH]n2 62a_100000728582_100000062575 [0,0,0,0,2,0|1,0,1]=4 4102 B13R2.64 c1cc(ccn1)Sc2ccoc2 62a_100000728582_100011215275 [0,0,0,0,2,0|1,0,0]=3 4103 B13R2.64 c1cc(ccn1)Sc2ccoc2 62a_100011215275_100000728582 [0,0,0,0,2,0|1,0,0]=3 4104 B13R2.64 c1cc(ccn1)Sc2ccon2 62a_100000728582_100009818083 [0,0,0,0,2,0|2,0,0]=4 4105 B13R2.64 c1cc(ccn1)Sc2ccon2 62a_100009818083_100000728582 [0,0,0,0,2,0|2,0,0]=4 4106 B13R2.64 c1cc(ccn1)Sc2ccsc2 62a_100000728582_100000738268 [0,0,0,0,2,0|1,0,0]=3 4107 B13R2.64 c1cc(ccn1)Sc2ccsc2 62a_100000738268_100000728582 [0,0,0,0,2,0|1,0,0]=3 4108 B13R2.64 c1cc(ccn1)Sc2ccsn2 62a_100000728582_100009818082 [0,0,0,0,2,0|2,0,0]=4 4109 B13R2.64 c1cc(ccn1)Sc2ccsn2 62a_100009818082_100000728582 [0,0,0,0,2,0|2,0,0]=4 4110 B13R2.64 c1cc(ccn1)Sc2cn[nH]c2 62a_100000238712_100000728582 [0,0,0,0,2,0|1,0,0]=3 4111 B13R2.64 c1cc(ccn1)Sc2cn[nH]c2 62a_100000728582_100000238712 [0,0,0,0,2,0|1,0,0]=3 4112 B13R2.64 c1cc(ccn1)Sc2cnco2 62a_100000728582_100020591547 [0,0,0,0,2,0|1,0,0]=3 4113 B13R2.64 c1cc(ccn1)Sc2cnco2 62a_100020591547_100000728582 [0,0,0,0,2,0|1,0,0]=3 4114 B13R2.64 c1cc(ccn1)Sc2cncs2 62a_100000728582_100011934649 [0,0,0,0,2,0|1,0,0]=3 4115 B13R2.64 c1cc(ccn1)Sc2cncs2 62a_100011934649_100000728582 [0,0,0,0,2,0|1,0,0]=3 4116 B13R2.64 c1cc(ccn1)Sc2cnoc2 62a_100000728582_100009815712 [0,0,0,0,2,0|1,0,0]=3 4117 B13R2.64 c1cc(ccn1)Sc2cnoc2 62a_100009815712_100000728582 [0,0,0,0,2,0|1,0,0]=3 4118 B13R2.64 c1cc(ccn1)Sc2cnsc2 62a_100000728582_100009815736 [0,0,0,0,2,0|1,0,0]=3 4119 B13R2.64 c1cc(ccn1)Sc2cnsc2 62a_100009815736_100000728582 [0,0,0,0,2,0|1,0,0]=3 4120 B13R2.64 c1cc(ccn1)Sc2cscn2 62a_100000728582_100000751502 [0,0,0,0,2,0|2,0,0]=4 4121 B13R2.64 c1cc(ccn1)Sc2cscn2 62a_100000751502_100000728582 [0,0,0,0,2,0|2,0,0]=4 4122 B13R2.64 c1cc(ccn1)Sc2ncc[nH]2 62a_100000728582_100025796157 [0,0,0,0,2,0|2,0,0]=4 4123 B13R2.64 c1cc(ccn1)Sc2ncc[nH]2 62a_100025796157_100000728582 [0,0,0,0,2,0|2,0,0]=4 4124 B13R2.64 c1cc(ccn1)Sc2ncco2 62a_100000728582_100011787736 [0,0,0,0,2,0|2,0,0]=4 4125 B13R2.64 c1cc(ccn1)Sc2ncco2 62a_100011787736_100000728582 [0,0,0,0,2,0|2,0,0]=4 4126 B13R2.64 c1cc(ccn1)Sc2nccs2 62a_100000211983_100000728582 [0,0,0,0,2,0|2,0,0]=4 4127 B13R2.64 c1cc(ccn1)Sc2nccs2 62a_100000728582_100000211983 [0,0,0,0,2,0|2,0,0]=4 4128 B13R2.64 c1cc(ccn1)Sc2ncns2 62a_100000693119_100000728582 [0,0,0,0,2,0|2,0,0]=4 4129 B13R2.64 c1cc(ccn1)Sc2ncns2 62a_100000728582_100000693119 [0,0,0,0,2,0|2,0,0]=4 4130 B13R2.64 c1cc(ccn1)Sc2nncs2 62a_100000728582_100000739804 [0,0,0,0,2,0|2,0,0]=4 4131 B13R2.64 c1cc(ccn1)Sc2nncs2 62a_100000739804_100000728582 [0,0,0,0,2,0|2,0,0]=4 4132 B13R2.64 c1cc(cnn1)Sc2ccoc2 62a_100000732662_100011215275 [0,0,0,0,2,0|2,0,0]=4 4133 B13R2.64 c1cc(cnn1)Sc2ccoc2 62a_100011215275_100000732662 [0,0,0,0,2,0|2,0,0]=4 4134 B13R2.64 c1cc(cnn1)Sc2ccsc2 62a_100000732662_100000738268 [0,0,0,0,2,0|2,0,0]=4 4135 B13R2.64 c1cc(cnn1)Sc2ccsc2 62a_100000738268_100000732662 [0,0,0,0,2,0|2,0,0]=4 4136 B13R2.64 c1cc(cnn1)Sc2cn[nH]c2 62a_100000238712_100000732662 [0,0,0,0,2,0|2,0,0]=4 4137 B13R2.64 c1cc(cnn1)Sc2cn[nH]c2 62a_100000732662_100000238712 [0,0,0,0,2,0|2,0,0]=4 4138 B13R2.64 c1cc(cnn1)Sc2cnco2 62a_100000732662_100020591547 [0,0,0,0,2,0|2,0,0]=4 4139 B13R2.64 c1cc(cnn1)Sc2cnco2 62a_100020591547_100000732662 [0,0,0,0,2,0|2,0,0]=4 4140 B13R2.64 c1cc(cnn1)Sc2cncs2 62a_100000732662_100011934649 [0,0,0,0,2,0|2,0,0]=4 4141 B13R2.64 c1cc(cnn1)Sc2cncs2 62a_100011934649_100000732662 [0,0,0,0,2,0|2,0,0]=4 4142 B13R2.64 c1cc(cnn1)Sc2cnoc2 62a_100000732662_100009815712 [0,0,0,0,2,0|2,0,0]=4 4143 B13R2.64 c1cc(cnn1)Sc2cnoc2 62a_100009815712_100000732662 [0,0,0,0,2,0|2,0,0]=4 4144 B13R2.64 c1cc(cnn1)Sc2cnsc2 62a_100000732662_100009815736 [0,0,0,0,2,0|2,0,0]=4 4145 B13R2.64 c1cc(cnn1)Sc2cnsc2 62a_100009815736_100000732662 [0,0,0,0,2,0|2,0,0]=4 4146 B13R2.64 c1cc(ncn1)Sc2ccoc2 62a_100000703185_100011215275 [0,0,0,0,2,0|2,0,0]=4 4147 B13R2.64 c1cc(ncn1)Sc2ccoc2 62a_100011215275_100000703185 [0,0,0,0,2,0|2,0,0]=4 4148 B13R2.64 c1cc(ncn1)Sc2ccsc2 62a_100000703185_100000738268 [0,0,0,0,2,0|2,0,0]=4 4149 B13R2.64 c1cc(ncn1)Sc2ccsc2 62a_100000738268_100000703185 [0,0,0,0,2,0|2,0,0]=4 4150 B13R2.64 c1cc(ncn1)Sc2cn[nH]c2 62a_100000238712_100000703185 [0,0,0,0,2,0|2,0,0]=4 4151 B13R2.64 c1cc(ncn1)Sc2cn[nH]c2 62a_100000703185_100000238712 [0,0,0,0,2,0|2,0,0]=4 4152 B13R2.64 c1cc(ncn1)Sc2cnco2 62a_100000703185_100020591547 [0,0,0,0,2,0|2,0,0]=4 4153 B13R2.64 c1cc(ncn1)Sc2cnco2 62a_100020591547_100000703185 [0,0,0,0,2,0|2,0,0]=4 4154 B13R2.64 c1cc(ncn1)Sc2cncs2 62a_100000703185_100011934649 [0,0,0,0,2,0|2,0,0]=4 4155 B13R2.64 c1cc(ncn1)Sc2cncs2 62a_100011934649_100000703185 [0,0,0,0,2,0|2,0,0]=4 4156 B13R2.64 c1cc(ncn1)Sc2cnoc2 62a_100000703185_100009815712 [0,0,0,0,2,0|2,0,0]=4 4157 B13R2.64 c1cc(ncn1)Sc2cnoc2 62a_100009815712_100000703185 [0,0,0,0,2,0|2,0,0]=4 4158 B13R2.64 c1cc(ncn1)Sc2cnsc2 62a_100000703185_100009815736 [0,0,0,0,2,0|2,0,0]=4 4159 B13R2.64 c1cc(ncn1)Sc2cnsc2 62a_100009815736_100000703185 [0,0,0,0,2,0|2,0,0]=4 4160 B13R2.64 c1ccc(cc1)Sc2ccco2 62a_100000719477_100009814098 [0,0,0,0,2,0|2,0,0]=4 4161 B13R2.64 c1ccc(cc1)Sc2ccco2 62a_100009814098_100000041952 [0,0,0,0,2,0|2,0,0]=4 4162 B13R2.64 c1ccc(cc1)Sc2cccs2 62a_100000719477_100011215356 [0,0,0,0,2,0|2,0,0]=4 4163 B13R2.64 c1ccc(cc1)Sc2cccs2 62a_100011215356_100000041952 [0,0,0,0,2,0|2,0,0]=4 4164 B13R2.64 c1ccc(cc1)Sc2ccoc2 62a_100000719477_100011215275 [0,0,0,0,2,0|2,0,0]=4 4165 B13R2.64 c1ccc(cc1)Sc2ccoc2 62a_100011215275_100000041952 [0,0,0,0,2,0|2,0,0]=4 4166 B13R2.64 c1ccc(cc1)Sc2ccsc2 62a_100000719477_100000738268 [0,0,0,0,2,0|2,0,0]=4 4167 B13R2.64 c1ccc(cc1)Sc2ccsc2 62a_100000738268_100000041952 [0,0,0,0,2,0|2,0,0]=4 4168 B13R2.64 c1ccc(cc1)Sc2cn[nH]c2 62a_100000238712_100000041952 [0,0,0,0,2,0|2,0,0]=4 4169 B13R2.64 c1ccc(cc1)Sc2cn[nH]c2 62a_100000719477_100000238712 [0,0,0,0,2,0|2,0,0]=4 4170 B13R2.64 c1ccc(cc1)Sc2cnco2 62a_100000719477_100020591547 [0,0,0,0,2,0|2,0,0]=4 4171 B13R2.64 c1ccc(cc1)Sc2cnco2 62a_100020591547_100000041952 [0,0,0,0,2,0|2,0,0]=4 4172 B13R2.64 c1ccc(cc1)Sc2cncs2 62a_100000719477_100011934649 [0,0,0,0,2,0|2,0,0]=4 4173 B13R2.64 c1ccc(cc1)Sc2cncs2 62a_100011934649_100000041952 [0,0,0,0,2,0|2,0,0]=4 4174 B13R2.64 c1ccc(cc1)Sc2cnoc2 62a_100000719477_100009815712 [0,0,0,0,2,0|2,0,0]=4 4175 B13R2.64 c1ccc(cc1)Sc2cnoc2 62a_100009815712_100000041952 [0,0,0,0,2,0|2,0,0]=4 4176 B13R2.64 c1ccc(cc1)Sc2cnsc2 62a_100000719477_100009815736 [0,0,0,0,2,0|2,0,0]=4 4177 B13R2.64 c1ccc(cc1)Sc2cnsc2 62a_100009815736_100000041952 [0,0,0,0,2,0|2,0,0]=4 4178 B13R2.64 c1coc(c1)Sc2ccncc2 62a_100000728582_100009814098 [0,0,0,0,2,0|1,0,0]=3 4179 B13R2.64 c1coc(c1)Sc2ccncc2 62a_100009814098_100000728582 [0,0,0,0,2,0|1,0,0]=3 4180 B13R2.64 c1coc(c1)Sc2ccncn2 62a_100000703185_100009814098 [0,0,0,0,2,0|2,0,0]=4 4181 B13R2.64 c1coc(c1)Sc2ccncn2 62a_100009814098_100000703185 [0,0,0,0,2,0|2,0,0]=4 4182 B13R2.64 c1coc(c1)Sc2ccnnc2 62a_100000732662_100009814098 [0,0,0,0,2,0|2,0,0]=4 4183 B13R2.64 c1coc(c1)Sc2ccnnc2 62a_100009814098_100000732662 [0,0,0,0,2,0|2,0,0]=4 4184 B13R2.64 c1csc(c1)Sc2ccncc2 62a_100000728582_100011215356 [0,0,0,0,2,0|1,0,0]=3 4185 B13R2.64 c1csc(c1)Sc2ccncc2 62a_100011215356_100000728582 [0,0,0,0,2,0|1,0,0]=3 4186 B13R2.64 c1csc(c1)Sc2ccncn2 62a_100000703185_100011215356 [0,0,0,0,2,0|2,0,0]=4 4187 B13R2.64 c1csc(c1)Sc2ccncn2 62a_100011215356_100000703185 [0,0,0,0,2,0|2,0,0]=4 4188 B13R2.64 c1csc(c1)Sc2ccnnc2 62a_100000732662_100011215356 [0,0,0,0,2,0|2,0,0]=4 4189 B13R2.64 c1csc(c1)Sc2ccnnc2 62a_100011215356_100000732662 [0,0,0,0,2,0|2,0,0]=4 4190 B17R2.2382 C(#Cc1ccccc1)CSc2ccncc2 62a_100000728582_100011352542 [0,0,0,0,0,2|2,0,0]=4 4191 B17R2.2382 C(=C/c1ccccc1)\CSc2ccncc2 62a_100000728582_100016265936 [0,0,0,0,0,2|2,0,0]=4 4192 B17R2.2382 C(=C/c1ccccc1)\CSc2ccncc2 62a_100016265936_100000728582 [0,0,0,0,0,2|2,0,0]=4 4193 B17R2.2382 C(=NNCc1ccncc1)c2ccncc2 4a_100000736929_100000186114 [0,0,0,0,0,2|2,0,0]=4 4194 B17R2.2382 c1cc(ccn1)CCNCc2ccncc2 207a_100000742849_100000186114 [0,0,0,0,0,2|2,0,0]=4 4195 B17R2.2382 c1cc(ccn1)CCSCc2ccncc2 62a_100000723409_100015193705 [0,0,0,0,0,2|1,0,0]=3 4196 B17R2.2382 c1cc(ccn1)CCSCc2ccncc2 62a_100015193705_100000723409 [0,0,0,0,0,2|1,0,0]=3 4197 B17R2.2382 c1ccc(cc1)CCCSc2ccncc2 62a_100000211621_100000728582 [0,0,0,0,0,2|2,0,0]=4 4198 B17R2.2382 c1ccc(cc1)CCCSc2ccncc2 62a_100000728582_100000211621 [0,0,0,0,0,2|2,0,0]=4 4199 B17R2.2382 c1ccc(cc1)CCSCc2ccncc2 62a_100000765856_100015193705 [0,0,0,0,0,2|2,0,0]=4 4200 B17R2.2382 c1ccc(cc1)CCSCc2ccncc2 62a_100015193705_100011218657 [0,0,0,0,0,2|2,0,0]=4 4201 B17R2.2382 c1ccc(cc1)COCSc2ccncc2 62a_100000728582_100000763385 [0,0,0,0,0,2|1,1,0]=4 4202 B17R2.2382 c1ccc(cc1)COCSc2ccncc2 62a_100000763385_100000728582 [0,0,0,0,0,2|1,1,0]=4 4203 B17R2.2382 c1ccc(cc1)CSCCc2ccncc2 62a_100000211182_100000723409 [0,0,0,0,0,2|2,0,0]=4 4204 B17R2.2382 c1ccc(cc1)CSCCc2ccncc2 62a_100000723409_100015291786 [0,0,0,0,0,2|2,0,0]=4 4205 B17R2.2382 c1ccc(cc1)CSCOc2ccncc2 34a_100000212176_200011217039 [0,0,0,0,0,2|1,1,0]=4 4206 B17R2.2382 c1ccc(cc1)CSCSc2ccccc2 62a_100000211182_100011218342 [0,0,0,0,0,2|2,0,0]=4 4207 B17R2.2382 c1ccc(cc1)CSCSc2ccccc2 62a_100000719477_200011217039 [0,0,0,0,0,2|2,0,0]=4 4208 B17R2.2382 c1ccc(cc1)CSCSc2ccccc2 62a_100011218342_100015291786 [0,0,0,0,0,2|2,0,0]=4 4209 B17R2.2382 c1ccc(cc1)CSCSc2ccccc2 62a_200011217039_100000041952 [0,0,0,0,0,2|2,0,0]=4 4210 B17R2.2382 c1ccc(cc1)CSCSc2ccncc2 62a_100000728582_200011217039 [0,0,0,0,0,2|1,0,0]=3 4211 B17R2.2382 c1ccc(cc1)CSCSc2ccncc2 62a_200011217039_100000728582 [0,0,0,0,0,2|1,0,0]=3 4212 B17R2.2382 c1ccc(cc1)CSCSc2ccncn2 62a_100000703185_200011217039 [0,0,0,0,0,2|2,0,0]=4 4213 B17R2.2382 c1ccc(cc1)CSCSc2ccncn2 62a_200011217039_100000703185 [0,0,0,0,0,2|2,0,0]=4 4214 B17R2.2382 c1ccc(cc1)CSCSc2ccnnc2 62a_100000732662_200011217039 [0,0,0,0,0,2|2,0,0]=4 4215 B17R2.2382 c1ccc(cc1)CSCSc2ccnnc2 62a_200011217039_100000732662 [0,0,0,0,0,2|2,0,0]=4 4216 B17R2.2382 c1ccc(cc1)OCCSc2ccncc2 62a_100000184471_100000728582 [0,0,0,0,0,2|1,1,0]=4 4217 B17R2.2382 c1ccc(cc1)OCCSc2ccncc2 62a_100000728582_100000184471 [0,0,0,0,0,2|1,1,0]=4 4218 B17R2.2382 c1ccc(cc1)SCCOc2ccncc2 34a_100000212176_100000246102 [0,0,0,0,0,2|1,1,0]=4 4219 B17R2.2382 c1ccc(cc1)SCCSc2ccccc2 62a_100000246102_100000041952 [0,0,0,0,0,2|2,0,0]=4 4220 B17R2.2382 c1ccc(cc1)SCCSc2ccccc2 62a_100000719477_100000246102 [0,0,0,0,0,2|2,0,0]=4 4221 B17R2.2382 c1ccc(cc1)SCCSc2ccncc2 62a_100000246102_100000728582 [0,0,0,0,0,2|1,0,0]=3 4222 B17R2.2382 c1ccc(cc1)SCCSc2ccncc2 62a_100000728582_100000246102 [0,0,0,0,0,2|1,0,0]=3 4223 B17R2.2382 c1ccc(cc1)SCCSc2ccncn2 62a_100000246102_100000703185 [0,0,0,0,0,2|2,0,0]=4 4224 B17R2.2382 c1ccc(cc1)SCCSc2ccncn2 62a_100000703185_100000246102 [0,0,0,0,0,2|2,0,0]=4 4225 B17R2.2382 c1ccc(cc1)SCCSc2ccnnc2 62a_100000246102_100000732662 [0,0,0,0,0,2|2,0,0]=4 4226 B17R2.2382 c1ccc(cc1)SCCSc2ccnnc2 62a_100000732662_100000246102 [0,0,0,0,0,2|2,0,0]=4 4227 B17R2.2382 c1ccc(cc1)SCSCc2ccncc2 62a_100011218342_100015193705 [0,0,0,0,0,2|1,0,0]=3 4228 B17R2.2382 c1ccc(cc1)SCSCc2ccncc2 62a_100015193705_100011218342 [0,0,0,0,0,2|1,0,0]=3