0 B8R1.8 C=C=Cc1cnco1 271570a_100015277604_100020591547 [0,0,0,0,0,0|2,0,2]=4 1 B8R1.8 C=C=Cc1cncs1 271570a_100015277604_100011934649 [0,0,0,0,0,0|2,0,2]=4 2 B8R1.8 CC=Cc1cnco1 271570a_100016259895_100020591547 [0,0,0,0,0,0|2,0,2]=4 3 B8R1.8 CC=Cc1cncs1 271570a_100016259895_100011934649 [0,0,0,0,0,0|2,0,2]=4 4 B8R1.8 CCNc1ncns1 27a_100015525214_100000693119 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.8 CCNc1nncs1 27a_100015525214_100000739804 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.8 CCOc1ccsc1 34a_100000106738_100000210202 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.8 CCOc1ccsc1 7a_100000106738_100000210202 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.8 CCSc1c[nH]cn1 62a_100000210202_100000756875 [0,0,0,0,0,0|2,0,2]=4 9 B8R1.8 CCSc1c[nH]cn1 62a_100000756875_100000210202 [0,0,0,0,0,0|2,0,2]=4 10 B8R1.8 CCSc1ccco1 62a_100000210202_100009814098 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.8 CCSc1ccco1 62a_100009814098_100000210202 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.8 CCSc1cccs1 62a_100000210202_100011215356 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.8 CCSc1cccs1 62a_100011215356_100000210202 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.8 CCSc1ccoc1 62a_100000210202_100011215275 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.8 CCSc1ccoc1 62a_100011215275_100000210202 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.8 CCSc1ccsc1 62a_100000210202_100000738268 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.8 CCSc1ccsc1 62a_100000738268_100000210202 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.8 CCSc1cn[nH]c1 62a_100000210202_100000238712 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.8 CCSc1cn[nH]c1 62a_100000238712_100000210202 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.8 CCSc1cnco1 62a_100000210202_100020591547 [0,0,0,0,0,0|3,0,0]=3 21 B8R1.8 CCSc1cnco1 62a_100020591547_100000210202 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.8 CCSc1cncs1 62a_100000210202_100011934649 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.8 CCSc1cncs1 62a_100011934649_100000210202 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.8 CCSc1cnoc1 62a_100000210202_100009815712 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.8 CCSc1cnoc1 62a_100009815712_100000210202 [0,0,0,0,0,0|4,0,0]=4 26 B8R1.8 CCSc1cnsc1 62a_100000210202_100009815736 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.8 CCSc1cnsc1 62a_100009815736_100000210202 [0,0,0,0,0,0|4,0,0]=4 28 B8R1.8 CCSc1cscn1 62a_100000210202_100000751502 [0,0,0,0,0,0|3,0,1]=4 29 B8R1.8 CCSc1cscn1 62a_100000751502_100000210202 [0,0,0,0,0,0|3,0,1]=4 30 B8R1.8 CCSc1ncc[nH]1 62a_100000210202_100025796157 [0,0,0,0,0,0|4,0,0]=4 31 B8R1.8 CCSc1ncc[nH]1 62a_100025796157_100000210202 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.8 CCSc1ncns1 62a_100000210202_100000693119 [0,0,0,0,0,0|3,0,1]=4 33 B8R1.8 CCSc1ncns1 62a_100000693119_100000210202 [0,0,0,0,0,0|3,0,1]=4 34 B8R1.8 CCSc1nncs1 62a_100000210202_100000739804 [0,0,0,0,0,0|4,0,0]=4 35 B8R1.8 CCSc1nncs1 62a_100000739804_100000210202 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.8 CNCc1c[nH]cn1 2230a_106832991635_100000707719 [0,0,0,0,0,0|2,0,2]=4 37 B8R1.8 CNCc1c[nH]cn1 34a_100102657272_100000707719 [0,0,0,0,0,0|2,0,2]=4 38 B8R1.8 CNCc1ccco1 207a_100102657272_100000186105 [0,0,0,0,0,0|4,0,0]=4 39 B8R1.8 CNCc1ccco1 2230a_100000185738_200000210301 [0,0,0,0,0,0|4,0,0]=4 40 B8R1.8 CNCc1ccco1 270004a_106832991635_100000186105 [0,0,0,0,0,0|4,0,0]=4 41 B8R1.8 CNCc1ccco1 34a_100000185738_200000210301 [0,0,0,0,0,0|4,0,0]=4 42 B8R1.8 CNCc1cccs1 207a_100102657272_100000209959 [0,0,0,0,0,0|4,0,0]=4 43 B8R1.8 CNCc1cccs1 2230a_100000211653_200000210301 [0,0,0,0,0,0|4,0,0]=4 44 B8R1.8 CNCc1cccs1 270004a_106832991635_100000209959 [0,0,0,0,0,0|4,0,0]=4 45 B8R1.8 CNCc1ccn[nH]1 2230a_106832991635_100000728653 [0,0,0,0,0,0|4,0,0]=4 46 B8R1.8 CNCc1ccn[nH]1 34a_100102657272_100000728653 [0,0,0,0,0,0|4,0,0]=4 47 B8R1.8 CNCc1ccn[nH]1 7a_106832991635_100000728653 [0,0,0,0,0,0|4,0,0]=4 48 B8R1.8 CNCc1ccoc1 207a_100102657272_100011215517 [0,0,0,0,0,0|4,0,0]=4 49 B8R1.8 CNCc1ccoc1 2230a_100015206860_200000210301 [0,0,0,0,0,0|4,0,0]=4 50 B8R1.8 CNCc1ccoc1 270004a_106832991635_100011215517 [0,0,0,0,0,0|4,0,0]=4 51 B8R1.8 CNCc1ccoc1 34a_100015206860_200000210301 [0,0,0,0,0,0|4,0,0]=4 52 B8R1.8 CNCc1ccsc1 207a_100102657272_100000188534 [0,0,0,0,0,0|4,0,0]=4 53 B8R1.8 CNCc1ccsc1 2230a_100000186416_200000210301 [0,0,0,0,0,0|4,0,0]=4 54 B8R1.8 CNCc1ccsc1 2230a_106832991635_100011261437 [0,0,0,0,0,0|4,0,0]=4 55 B8R1.8 CNCc1ccsc1 270004a_106832991635_100000188534 [0,0,0,0,0,0|4,0,0]=4 56 B8R1.8 CNCc1ccsc1 34a_100000186416_200000210301 [0,0,0,0,0,0|4,0,0]=4 57 B8R1.8 CNCc1ccsc1 34a_100102657272_100011261437 [0,0,0,0,0,0|4,0,0]=4 58 B8R1.8 CNCc1ccsc1 7a_106832991635_100011261437 [0,0,0,0,0,0|4,0,0]=4 59 B8R1.8 CNCc1cn[nH]c1 207a_100102657272_100016992096 [0,0,0,0,0,0|4,0,0]=4 60 B8R1.8 CNCc1cn[nH]c1 270004a_106832991635_100016992096 [0,0,0,0,0,0|4,0,0]=4 61 B8R1.8 CNCc1cnc[nH]1 207a_100102657272_100000742939 [0,0,0,0,0,0|2,0,0]=2 62 B8R1.8 CNCc1cnco1 270004a_106832991635_100000064291 [0,0,0,0,0,0|3,0,0]=3 63 B8R1.8 CNCc1cncs1 207a_100102657272_100000749870 [0,0,0,0,0,0|3,0,0]=3 64 B8R1.8 CNCc1cncs1 2230a_100016987365_200000210301 [0,0,0,0,0,0|3,0,0]=3 65 B8R1.8 CNCc1cncs1 2230a_106832991635_100015185245 [0,0,0,0,0,0|3,0,0]=3 66 B8R1.8 CNCc1cncs1 270004a_106832991635_100000749870 [0,0,0,0,0,0|3,0,0]=3 67 B8R1.8 CNCc1cncs1 34a_100102657272_100015185245 [0,0,0,0,0,0|3,0,0]=3 68 B8R1.8 CNCc1cncs1 7a_106832991635_100015185245 [0,0,0,0,0,0|3,0,0]=3 69 B8R1.8 CNCc1cocn1 270004a_106832991635_100000050382 [0,0,0,0,0,0|3,0,1]=4 70 B8R1.8 CNCc1cscn1 207a_100102657272_100000743575 [0,0,0,0,0,0|3,0,1]=4 71 B8R1.8 CNCc1cscn1 2230a_100015185402_200000210301 [0,0,0,0,0,0|3,0,1]=4 72 B8R1.8 CNCc1cscn1 2230a_106832991635_100000205941 [0,0,0,0,0,0|3,0,1]=4 73 B8R1.8 CNCc1cscn1 270004a_106832991635_100000743575 [0,0,0,0,0,0|3,0,1]=4 74 B8R1.8 CNCc1cscn1 34a_100102657272_100000205941 [0,0,0,0,0,0|3,0,1]=4 75 B8R1.8 CNCc1cscn1 7a_106832991635_100000205941 [0,0,0,0,0,0|3,0,1]=4 76 B8R1.8 CNCc1ncc[nH]1 207a_100102657272_100000743867 [0,0,0,0,0,0|4,0,0]=4 77 B8R1.8 CNCc1ncc[nH]1 2230a_106832991635_100016991755 [0,0,0,0,0,0|4,0,0]=4 78 B8R1.8 CNCc1ncc[nH]1 34a_100102657272_100016991755 [0,0,0,0,0,0|4,0,0]=4 79 B8R1.8 CNCc1ncc[nH]1 7a_106832991635_100000753453 [0,0,0,0,0,0|4,0,0]=4 80 B8R1.8 CNCc1nnc[nH]1 2230a_200015183720_200000210301 [0,0,0,0,0,0|3,0,0]=3 81 B8R1.8 CNCc1nnn[nH]1 34a_100102657272_100000765167 [0,0,0,0,0,0|4,0,0]=4 82 B8R1.8 CNCc1nnn[nH]1 7a_106832991635_100000765167 [0,0,0,0,0,0|4,0,0]=4 83 B8R1.8 CNCn1cncn1 2230a_106832991635_200020645497 [0,0,0,0,0,0|3,0,1]=4 84 B8R1.8 CNCn1cncn1 34a_100102657272_200020645497 [0,0,0,0,0,0|3,0,1]=4 85 B8R1.8 CNCn1cncn1 7a_106832991635_200020645497 [0,0,0,0,0,0|3,0,1]=4 86 B8R1.8 COCc1c[nH]cn1 34a_100138415774_100000707719 [0,0,0,0,0,0|2,0,2]=4 87 B8R1.8 COCc1ccco1 34a_100000210059_200000210301 [0,0,0,0,0,0|4,0,0]=4 88 B8R1.8 COCc1cccs1 34a_100000211240_200000210301 [0,0,0,0,0,0|4,0,0]=4 89 B8R1.8 COCc1ccn[nH]1 34a_100138415774_100000728653 [0,0,0,0,0,0|4,0,0]=4 90 B8R1.8 COCc1ccno1 34a_100000740478_200000210301 [0,0,0,0,0,0|4,0,0]=4 91 B8R1.8 COCc1ccoc1 34a_100011215357_200000210301 [0,0,0,0,0,0|4,0,0]=4 92 B8R1.8 COCc1ccsc1 34a_100011215551_200000210301 [0,0,0,0,0,0|4,0,0]=4 93 B8R1.8 COCc1ccsc1 34a_100138415774_100011261437 [0,0,0,0,0,0|4,0,0]=4 94 B8R1.8 COCc1cncs1 34a_100138415774_100015185245 [0,0,0,0,0,0|3,0,0]=3 95 B8R1.8 COCc1cscn1 34a_100138415774_100000205941 [0,0,0,0,0,0|3,0,1]=4 96 B8R1.8 COCc1ncc[nH]1 34a_100138415774_100016991755 [0,0,0,0,0,0|4,0,0]=4 97 B8R1.8 COCc1nnn[nH]1 34a_100138415774_100000765167 [0,0,0,0,0,0|4,0,0]=4 98 B8R1.8 COCn1cncn1 34a_100138415774_200020645497 [0,0,0,0,0,0|3,0,1]=4 99 B8R1.8 CSCc1c[nH]cn1 62a_100000707719_200000210301 [0,0,0,0,0,0|2,0,2]=4 100 B8R1.8 CSCc1c[nH]cn1 62a_200000210301_100000707719 [0,0,0,0,0,0|2,0,2]=4 101 B8R1.8 CSCc1ccn[nH]1 62a_100000728653_200000210301 [0,0,0,0,0,0|4,0,0]=4 102 B8R1.8 CSCc1ccn[nH]1 62a_200000210301_100000728653 [0,0,0,0,0,0|4,0,0]=4 103 B8R1.8 CSCc1ccsc1 62a_100011261437_200000210301 [0,0,0,0,0,0|4,0,0]=4 104 B8R1.8 CSCc1ccsc1 62a_200000210301_100011233845 [0,0,0,0,0,0|4,0,0]=4 105 B8R1.8 CSCc1cncs1 62a_100015185245_200000210301 [0,0,0,0,0,0|3,0,0]=3 106 B8R1.8 CSCc1cncs1 62a_200000210301_100015185245 [0,0,0,0,0,0|3,0,0]=3 107 B8R1.8 CSCc1cscn1 62a_100000205941_200000210301 [0,0,0,0,0,0|3,0,1]=4 108 B8R1.8 CSCc1cscn1 62a_200000210301_100000205941 [0,0,0,0,0,0|3,0,1]=4 109 B8R1.8 CSCc1ncc[nH]1 62a_100016991755_200000210301 [0,0,0,0,0,0|4,0,0]=4 110 B8R1.8 CSCc1ncc[nH]1 62a_200000210301_100016991755 [0,0,0,0,0,0|4,0,0]=4 111 B8R1.8 CSCc1nnn[nH]1 62a_100000765167_200000210301 [0,0,0,0,0,0|4,0,0]=4 112 B8R1.8 CSCc1nnn[nH]1 62a_200000210301_100000765167 [0,0,0,0,0,0|4,0,0]=4 113 B8R1.8 CSCn1cncn1 62a_200000210301_200020645497 [0,0,0,0,0,0|3,0,1]=4 114 B8R1.8 CSCn1cncn1 62a_200020645497_200000210301 [0,0,0,0,0,0|3,0,1]=4 115 B8R1.8 FCOc1ccsc1 34a_100000106738_100015361967 [0,0,0,0,0,0|4,0,0]=4 116 B8R1.8 FCOc1ccsc1 7a_100000106738_100015361967 [0,0,0,0,0,0|4,0,0]=4 117 B8R1.8 FCSc1c[nH]cn1 62a_100000756875_100015361967 [0,0,0,0,0,0|2,0,2]=4 118 B8R1.8 FCSc1c[nH]cn1 62a_100015361967_100000756875 [0,0,0,0,0,0|2,0,2]=4 119 B8R1.8 FCSc1ccco1 62a_100009814098_100015361967 [0,0,0,0,0,0|4,0,0]=4 120 B8R1.8 FCSc1ccco1 62a_100015361967_100009814098 [0,0,0,0,0,0|4,0,0]=4 121 B8R1.8 FCSc1cccs1 62a_100011215356_100015361967 [0,0,0,0,0,0|4,0,0]=4 122 B8R1.8 FCSc1cccs1 62a_100015361967_100011215356 [0,0,0,0,0,0|4,0,0]=4 123 B8R1.8 FCSc1ccoc1 62a_100011215275_100015361967 [0,0,0,0,0,0|4,0,0]=4 124 B8R1.8 FCSc1ccoc1 62a_100015361967_100011215275 [0,0,0,0,0,0|4,0,0]=4 125 B8R1.8 FCSc1ccsc1 62a_100000738268_100015361967 [0,0,0,0,0,0|4,0,0]=4 126 B8R1.8 FCSc1ccsc1 62a_100015361967_100000738268 [0,0,0,0,0,0|4,0,0]=4 127 B8R1.8 FCSc1cn[nH]c1 62a_100000238712_100015361967 [0,0,0,0,0,0|4,0,0]=4 128 B8R1.8 FCSc1cn[nH]c1 62a_100015361967_100000238712 [0,0,0,0,0,0|4,0,0]=4 129 B8R1.8 FCSc1cnco1 62a_100015361967_100020591547 [0,0,0,0,0,0|3,0,0]=3 130 B8R1.8 FCSc1cnco1 62a_100020591547_100015361967 [0,0,0,0,0,0|3,0,0]=3 131 B8R1.8 FCSc1cncs1 62a_100011934649_100015361967 [0,0,0,0,0,0|3,0,0]=3 132 B8R1.8 FCSc1cncs1 62a_100015361967_100011934649 [0,0,0,0,0,0|3,0,0]=3 133 B8R1.8 FCSc1cnoc1 62a_100009815712_100015361967 [0,0,0,0,0,0|4,0,0]=4 134 B8R1.8 FCSc1cnoc1 62a_100015361967_100009815712 [0,0,0,0,0,0|4,0,0]=4 135 B8R1.8 FCSc1cnsc1 62a_100009815736_100015361967 [0,0,0,0,0,0|4,0,0]=4 136 B8R1.8 FCSc1cnsc1 62a_100015361967_100009815736 [0,0,0,0,0,0|4,0,0]=4 137 B8R1.8 FCSc1cscn1 62a_100000751502_100015361967 [0,0,0,0,0,0|3,0,1]=4 138 B8R1.8 FCSc1cscn1 62a_100015361967_100000751502 [0,0,0,0,0,0|3,0,1]=4 139 B8R1.8 FCSc1ncc[nH]1 62a_100015361967_100025796157 [0,0,0,0,0,0|4,0,0]=4 140 B8R1.8 FCSc1ncc[nH]1 62a_100025796157_100015361967 [0,0,0,0,0,0|4,0,0]=4 141 B8R1.8 FCSc1ncns1 62a_100000693119_100015361967 [0,0,0,0,0,0|3,0,1]=4 142 B8R1.8 FCSc1ncns1 62a_100015361967_100000693119 [0,0,0,0,0,0|3,0,1]=4 143 B8R1.8 FCSc1nncs1 62a_100000739804_100015361967 [0,0,0,0,0,0|4,0,0]=4 144 B8R1.8 FCSc1nncs1 62a_100015361967_100000739804 [0,0,0,0,0,0|4,0,0]=4 145 B8R1.8 [13CH3]NCc1ccco1 2230a_100000185738_200025704644 [0,0,0,0,0,0|4,0,0]=4 146 B8R1.8 [13CH3]NCc1ccco1 34a_100000185738_200025704644 [0,0,0,0,0,0|4,0,0]=4 147 B8R1.8 [13CH3]NCc1cccs1 2230a_100000211653_200025704644 [0,0,0,0,0,0|4,0,0]=4 148 B8R1.8 [13CH3]NCc1ccoc1 2230a_100015206860_200025704644 [0,0,0,0,0,0|4,0,0]=4 149 B8R1.8 [13CH3]NCc1ccoc1 34a_100015206860_200025704644 [0,0,0,0,0,0|4,0,0]=4 150 B8R1.8 [13CH3]NCc1ccsc1 2230a_100000186416_200025704644 [0,0,0,0,0,0|4,0,0]=4 151 B8R1.8 [13CH3]NCc1ccsc1 34a_100000186416_200025704644 [0,0,0,0,0,0|4,0,0]=4 152 B8R1.8 [13CH3]NCc1cncs1 2230a_100016987365_200025704644 [0,0,0,0,0,0|3,0,0]=3 153 B8R1.8 [13CH3]NCc1cscn1 2230a_100015185402_200025704644 [0,0,0,0,0,0|3,0,1]=4 154 B8R1.8 [13CH3]NCc1nnc[nH]1 2230a_200015183720_200025704644 [0,0,0,0,0,0|3,0,0]=3 155 B8R1.8 [13CH3]OCc1ccco1 34a_100000210059_200025704644 [0,0,0,0,0,0|4,0,0]=4 156 B8R1.8 [13CH3]OCc1cccs1 34a_100000211240_200025704644 [0,0,0,0,0,0|4,0,0]=4 157 B8R1.8 [13CH3]OCc1ccno1 34a_100000740478_200025704644 [0,0,0,0,0,0|4,0,0]=4 158 B8R1.8 [13CH3]OCc1ccoc1 34a_100011215357_200025704644 [0,0,0,0,0,0|4,0,0]=4 159 B8R1.8 [13CH3]OCc1ccsc1 34a_100011215551_200025704644 [0,0,0,0,0,0|4,0,0]=4 160 B8R1.8 [13CH3]SCc1c[nH]cn1 62a_100000707719_200025704644 [0,0,0,0,0,0|2,0,2]=4 161 B8R1.8 [13CH3]SCc1c[nH]cn1 62a_200025704644_100000707719 [0,0,0,0,0,0|2,0,2]=4 162 B8R1.8 [13CH3]SCc1ccn[nH]1 62a_100000728653_200025704644 [0,0,0,0,0,0|4,0,0]=4 163 B8R1.8 [13CH3]SCc1ccn[nH]1 62a_200025704644_100000728653 [0,0,0,0,0,0|4,0,0]=4 164 B8R1.8 [13CH3]SCc1ccsc1 62a_100011261437_200025704644 [0,0,0,0,0,0|4,0,0]=4 165 B8R1.8 [13CH3]SCc1ccsc1 62a_200025704644_100011233845 [0,0,0,0,0,0|4,0,0]=4 166 B8R1.8 [13CH3]SCc1cncs1 62a_100015185245_200025704644 [0,0,0,0,0,0|3,0,0]=3 167 B8R1.8 [13CH3]SCc1cncs1 62a_200025704644_100015185245 [0,0,0,0,0,0|3,0,0]=3 168 B8R1.8 [13CH3]SCc1cscn1 62a_100000205941_200025704644 [0,0,0,0,0,0|3,0,1]=4 169 B8R1.8 [13CH3]SCc1cscn1 62a_200025704644_100000205941 [0,0,0,0,0,0|3,0,1]=4 170 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_100016991755_200025704644 [0,0,0,0,0,0|4,0,0]=4 171 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_200025704644_100016991755 [0,0,0,0,0,0|4,0,0]=4 172 B8R1.8 [13CH3]SCc1nnn[nH]1 62a_100000765167_200025704644 [0,0,0,0,0,0|4,0,0]=4 173 B8R1.8 [13CH3]SCc1nnn[nH]1 62a_200025704644_100000765167 [0,0,0,0,0,0|4,0,0]=4 174 B8R1.8 [13CH3]SCn1cncn1 62a_200020645497_200025704644 [0,0,0,0,0,0|3,0,1]=4 175 B8R1.8 [13CH3]SCn1cncn1 62a_200025704644_200020645497 [0,0,0,0,0,0|3,0,1]=4 176 B7R1.1 C=Cc1cnco1 271570a_100011290941_100020591547 [1,0,0,0,0,0|1,0,2]=4 177 B7R1.1 C=Cc1cncs1 271570a_100011290941_100011934649 [1,0,0,0,0,0|1,0,2]=4 178 B7R1.1 CNc1ncns1 27a_100102657272_100000693119 [1,0,0,0,0,0|2,0,1]=4 179 B7R1.1 CNc1nncs1 27a_100102657272_100000739804 [1,0,0,0,0,0|3,0,0]=4 180 B7R1.1 COc1ccsc1 34a_100000106738_200000210301 [1,0,0,0,0,0|3,0,0]=4 181 B7R1.1 COc1ccsc1 7a_100000106738_200000210301 [1,0,0,0,0,0|3,0,0]=4 182 B7R1.1 CSc1c[nH]cn1 62a_100000756875_200000210301 [1,0,0,0,0,0|1,0,2]=4 183 B7R1.1 CSc1c[nH]cn1 62a_200000210301_100000756875 [1,0,0,0,0,0|1,0,2]=4 184 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [1,0,0,0,0,0|3,0,0]=4 185 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [1,0,0,0,0,0|3,0,0]=4 186 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [1,0,0,0,0,0|3,0,0]=4 187 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [1,0,0,0,0,0|3,0,0]=4 188 B7R1.1 CSc1ccoc1 62a_100011215275_200000210301 [1,0,0,0,0,0|3,0,0]=4 189 B7R1.1 CSc1ccoc1 62a_200000210301_100011215275 [1,0,0,0,0,0|3,0,0]=4 190 B7R1.1 CSc1ccsc1 62a_100000738268_200000210301 [1,0,0,0,0,0|3,0,0]=4 191 B7R1.1 CSc1ccsc1 62a_200000210301_100000738268 [1,0,0,0,0,0|3,0,0]=4 192 B7R1.1 CSc1cn[nH]c1 62a_100000238712_200000210301 [1,0,0,0,0,0|3,0,0]=4 193 B7R1.1 CSc1cn[nH]c1 62a_200000210301_100000238712 [1,0,0,0,0,0|3,0,0]=4 194 B7R1.1 CSc1cnco1 62a_100020591547_200000210301 [1,0,0,0,0,0|2,0,0]=3 195 B7R1.1 CSc1cnco1 62a_200000210301_100020591547 [1,0,0,0,0,0|2,0,0]=3 196 B7R1.1 CSc1cncs1 62a_100011934649_200000210301 [1,0,0,0,0,0|2,0,0]=3 197 B7R1.1 CSc1cncs1 62a_200000210301_100011934649 [1,0,0,0,0,0|2,0,0]=3 198 B7R1.1 CSc1cnoc1 62a_100009815712_200000210301 [1,0,0,0,0,0|3,0,0]=4 199 B7R1.1 CSc1cnoc1 62a_200000210301_100009815712 [1,0,0,0,0,0|3,0,0]=4 200 B7R1.1 CSc1cnsc1 62a_100009815736_200000210301 [1,0,0,0,0,0|3,0,0]=4 201 B7R1.1 CSc1cnsc1 62a_200000210301_100009815736 [1,0,0,0,0,0|3,0,0]=4 202 B7R1.1 CSc1cscn1 62a_100000751502_200000210301 [1,0,0,0,0,0|2,0,1]=4 203 B7R1.1 CSc1cscn1 62a_200000210301_100000751502 [1,0,0,0,0,0|2,0,1]=4 204 B7R1.1 CSc1ncc[nH]1 62a_100025796157_200000210301 [1,0,0,0,0,0|3,0,0]=4 205 B7R1.1 CSc1ncc[nH]1 62a_200000210301_100025796157 [1,0,0,0,0,0|3,0,0]=4 206 B7R1.1 CSc1ncns1 62a_100000693119_200000210301 [1,0,0,0,0,0|2,0,1]=4 207 B7R1.1 CSc1ncns1 62a_200000210301_100000693119 [1,0,0,0,0,0|2,0,1]=4 208 B7R1.1 CSc1nncs1 62a_100000739804_200000210301 [1,0,0,0,0,0|3,0,0]=4 209 B7R1.1 CSc1nncs1 62a_200000210301_100000739804 [1,0,0,0,0,0|3,0,0]=4 210 B7R1.1 [13CH3]Oc1ccsc1 34a_100000106738_200025704644 [1,0,0,0,0,0|3,0,0]=4 211 B7R1.1 [13CH3]Oc1ccsc1 7a_100000106738_200025704644 [1,0,0,0,0,0|3,0,0]=4 212 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_100000756875_200025704644 [1,0,0,0,0,0|1,0,2]=4 213 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_200025704644_100000756875 [1,0,0,0,0,0|1,0,2]=4 214 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [1,0,0,0,0,0|3,0,0]=4 215 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [1,0,0,0,0,0|3,0,0]=4 216 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [1,0,0,0,0,0|3,0,0]=4 217 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [1,0,0,0,0,0|3,0,0]=4 218 B7R1.1 [13CH3]Sc1ccoc1 62a_100011215275_200025704644 [1,0,0,0,0,0|3,0,0]=4 219 B7R1.1 [13CH3]Sc1ccoc1 62a_200025704644_100011215275 [1,0,0,0,0,0|3,0,0]=4 220 B7R1.1 [13CH3]Sc1ccsc1 62a_100000738268_200025704644 [1,0,0,0,0,0|3,0,0]=4 221 B7R1.1 [13CH3]Sc1ccsc1 62a_200025704644_100000738268 [1,0,0,0,0,0|3,0,0]=4 222 B7R1.1 [13CH3]Sc1cn[nH]c1 62a_100000238712_200025704644 [1,0,0,0,0,0|3,0,0]=4 223 B7R1.1 [13CH3]Sc1cn[nH]c1 62a_200025704644_100000238712 [1,0,0,0,0,0|3,0,0]=4 224 B7R1.1 [13CH3]Sc1cnco1 62a_100020591547_200025704644 [1,0,0,0,0,0|2,0,0]=3 225 B7R1.1 [13CH3]Sc1cnco1 62a_200025704644_100020591547 [1,0,0,0,0,0|2,0,0]=3 226 B7R1.1 [13CH3]Sc1cncs1 62a_100011934649_200025704644 [1,0,0,0,0,0|2,0,0]=3 227 B7R1.1 [13CH3]Sc1cncs1 62a_200025704644_100011934649 [1,0,0,0,0,0|2,0,0]=3 228 B7R1.1 [13CH3]Sc1cnoc1 62a_100009815712_200025704644 [1,0,0,0,0,0|3,0,0]=4 229 B7R1.1 [13CH3]Sc1cnoc1 62a_200025704644_100009815712 [1,0,0,0,0,0|3,0,0]=4 230 B7R1.1 [13CH3]Sc1cnsc1 62a_100009815736_200025704644 [1,0,0,0,0,0|3,0,0]=4 231 B7R1.1 [13CH3]Sc1cnsc1 62a_200025704644_100009815736 [1,0,0,0,0,0|3,0,0]=4 232 B7R1.1 [13CH3]Sc1cscn1 62a_100000751502_200025704644 [1,0,0,0,0,0|2,0,1]=4 233 B7R1.1 [13CH3]Sc1cscn1 62a_200025704644_100000751502 [1,0,0,0,0,0|2,0,1]=4 234 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_100025796157_200025704644 [1,0,0,0,0,0|3,0,0]=4 235 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_200025704644_100025796157 [1,0,0,0,0,0|3,0,0]=4 236 B7R1.1 [13CH3]Sc1ncns1 62a_100000693119_200025704644 [1,0,0,0,0,0|2,0,1]=4 237 B7R1.1 [13CH3]Sc1ncns1 62a_200025704644_100000693119 [1,0,0,0,0,0|2,0,1]=4 238 B7R1.1 [13CH3]Sc1nncs1 62a_100000739804_200025704644 [1,0,0,0,0,0|3,0,0]=4 239 B7R1.1 [13CH3]Sc1nncs1 62a_200025704644_100000739804 [1,0,0,0,0,0|3,0,0]=4 240 B9R1.7 CCCc1ccc(s1)O 271570a_203496583355_100010157708 [0,1,0,0,0,0|3,0,0]=4 241 B9R1.7 CCCc1nc(no1)C 270196a_100000212224_100000211992 [0,1,0,0,0,0|2,0,1]=4 242 B9R1.7 CCCc1ncc([nH]1)O 271570a_203496583355_200009820212 [0,1,0,0,0,0|3,0,0]=4 243 B9R1.7 CCSc1cnc(s1)Br 62a_100000210202_100012357534 [0,1,0,0,0,0|3,0,0]=4 244 B9R1.7 CCSc1cnc(s1)Br 62a_100012357534_100000210202 [0,1,0,0,0,0|3,0,0]=4 245 B9R1.7 CCSc1cnc(s1)C 62a_100000210202_100000764884 [0,1,0,0,0,0|3,0,0]=4 246 B9R1.7 CCSc1cnc(s1)C 62a_100000764884_100000210202 [0,1,0,0,0,0|3,0,0]=4 247 B9R1.7 CCSc1cnc(s1)N 62a_100000210202_100000718969 [0,1,0,0,0,0|3,0,0]=4 248 B9R1.7 CCSc1cnc(s1)N 62a_100000718969_100000210202 [0,1,0,0,0,0|3,0,0]=4 249 B9R1.7 CNCc1cc(c[nH]1)Br 270004a_106832991635_100000720742 [0,1,0,0,0,0|3,0,0]=4 250 B9R1.7 CNCc1cnc(o1)C 207a_100102657272_100000084308 [0,1,0,0,0,0|3,0,0]=4 251 B9R1.7 CNCc1cnc(o1)C 270004a_106832991635_100000084308 [0,1,0,0,0,0|3,0,0]=4 252 B9R1.7 CNCc1cnc(s1)Br 2230a_100000726991_200000210301 [0,1,0,0,0,0|3,0,0]=4 253 B9R1.7 CNCc1cnc(s1)Br 2230a_106832991635_100000717027 [0,1,0,0,0,0|3,0,0]=4 254 B9R1.7 CNCc1cnc(s1)Br 270004a_106832991635_100009814069 [0,1,0,0,0,0|3,0,0]=4 255 B9R1.7 CNCc1cnc(s1)Br 34a_100102657272_100000717027 [0,1,0,0,0,0|3,0,0]=4 256 B9R1.7 CNCc1cnc(s1)Br 7a_106832991635_100000717027 [0,1,0,0,0,0|3,0,0]=4 257 B9R1.7 CNCc1cnc(s1)C 207a_100102657272_100000740557 [0,1,0,0,0,0|3,0,0]=4 258 B9R1.7 CNCc1cnc(s1)C 2230a_106832991635_100020635045 [0,1,0,0,0,0|3,0,0]=4 259 B9R1.7 CNCc1cnc(s1)C 2230a_200000743601_200000210301 [0,1,0,0,0,0|3,0,0]=4 260 B9R1.7 CNCc1cnc(s1)C 270004a_106832991635_100000740557 [0,1,0,0,0,0|3,0,0]=4 261 B9R1.7 CNCc1cnc(s1)C 34a_100102657272_100020635045 [0,1,0,0,0,0|3,0,0]=4 262 B9R1.7 CNCc1cnc(s1)C 7a_106832991635_100020635045 [0,1,0,0,0,0|3,0,0]=4 263 B9R1.7 CNCc1cnc(s1)Cl 2230a_100000726635_200000210301 [0,1,0,0,0,0|3,0,0]=4 264 B9R1.7 CNCc1cnc(s1)Cl 2230a_106832991635_100000058068 [0,1,0,0,0,0|3,0,0]=4 265 B9R1.7 CNCc1cnc(s1)Cl 270004a_106832991635_100000696999 [0,1,0,0,0,0|3,0,0]=4 266 B9R1.7 CNCc1cnc(s1)Cl 34a_100102657272_100000058068 [0,1,0,0,0,0|3,0,0]=4 267 B9R1.7 CNCc1cnc(s1)Cl 7a_106832991635_100000058068 [0,1,0,0,0,0|3,0,0]=4 268 B9R1.7 COCc1cnc(s1)Br 34a_100138415774_100000717027 [0,1,0,0,0,0|3,0,0]=4 269 B9R1.7 COCc1cnc(s1)Br 7a_100009816753_200000210301 [0,1,0,0,0,0|3,0,0]=4 270 B9R1.7 COCc1cnc(s1)C 34a_100138415774_100020635045 [0,1,0,0,0,0|3,0,0]=4 271 B9R1.7 COCc1cnc(s1)C 7a_100000743366_200000210301 [0,1,0,0,0,0|3,0,0]=4 272 B9R1.7 COCc1cnc(s1)Cl 34a_100138415774_100000058068 [0,1,0,0,0,0|3,0,0]=4 273 B9R1.7 COCc1cnc(s1)Cl 7a_100000697714_200000210301 [0,1,0,0,0,0|3,0,0]=4 274 B9R1.7 COCc1cnc(s1)N 7a_100011997359_200000210301 [0,1,0,0,0,0|3,0,0]=4 275 B9R1.7 CSCc1cnc(s1)Br 62a_100000717027_200000210301 [0,1,0,0,0,0|3,0,0]=4 276 B9R1.7 CSCc1cnc(s1)Br 62a_200000210301_100000717027 [0,1,0,0,0,0|3,0,0]=4 277 B9R1.7 CSCc1cnc(s1)C 62a_100020635045_200000210301 [0,1,0,0,0,0|3,0,0]=4 278 B9R1.7 CSCc1cnc(s1)C 62a_200000210301_100020635045 [0,1,0,0,0,0|3,0,0]=4 279 B9R1.7 CSCc1cnc(s1)Cl 62a_100000058068_200000210301 [0,1,0,0,0,0|3,0,0]=4 280 B9R1.7 CSCc1cnc(s1)Cl 62a_200000210301_100000058068 [0,1,0,0,0,0|3,0,0]=4 281 B9R1.7 Cc1ncc(s1)CN[13CH3] 2230a_200000743601_200025704644 [0,1,0,0,0,0|3,0,0]=4 282 B9R1.7 Cc1ncc(s1)CO[13CH3] 7a_100000743366_200025704644 [0,1,0,0,0,0|3,0,0]=4 283 B9R1.7 Cc1ncc(s1)CS[13CH3] 62a_100020635045_200025704644 [0,1,0,0,0,0|3,0,0]=4 284 B9R1.7 Cc1ncc(s1)CS[13CH3] 62a_200025704644_100020635045 [0,1,0,0,0,0|3,0,0]=4 285 B9R1.7 Cc1ncc(s1)SCF 62a_100000764884_100015361967 [0,1,0,0,0,0|3,0,0]=4 286 B9R1.7 Cc1ncc(s1)SCF 62a_100015361967_100000764884 [0,1,0,0,0,0|3,0,0]=4 287 B9R1.7 Cc1noc(n1)CCO 270196a_100000212224_100011216618 [0,1,0,0,0,0|2,0,1]=4 288 B9R1.7 Cn1cc(nn1)CCN 274090a_200000210301_100000755551 [0,1,0,0,0,0|1,0,2]=4 289 B9R1.7 FCSc1cnc(s1)Br 62a_100012357534_100015361967 [0,1,0,0,0,0|3,0,0]=4 290 B9R1.7 FCSc1cnc(s1)Br 62a_100015361967_100012357534 [0,1,0,0,0,0|3,0,0]=4 291 B9R1.7 NCCn1cc(cn1)O 271570a_203496583355_100000730845 [0,1,0,0,0,0|2,0,1]=4 292 B9R1.7 Nc1ncc(s1)SCF 62a_100000718969_100015361967 [0,1,0,0,0,0|3,0,0]=4 293 B9R1.7 Nc1ncc(s1)SCF 62a_100015361967_100000718969 [0,1,0,0,0,0|3,0,0]=4 294 B9R1.7 [13CH3]NCc1cnc(s1)Br 2230a_100000726991_200025704644 [0,1,0,0,0,0|3,0,0]=4 295 B9R1.7 [13CH3]NCc1cnc(s1)Cl 2230a_100000726635_200025704644 [0,1,0,0,0,0|3,0,0]=4 296 B9R1.7 [13CH3]OCc1cnc(s1)Br 7a_100009816753_200025704644 [0,1,0,0,0,0|3,0,0]=4 297 B9R1.7 [13CH3]OCc1cnc(s1)Cl 7a_100000697714_200025704644 [0,1,0,0,0,0|3,0,0]=4 298 B9R1.7 [13CH3]OCc1cnc(s1)N 7a_100011997359_200025704644 [0,1,0,0,0,0|3,0,0]=4 299 B9R1.7 [13CH3]SCc1cnc(s1)Br 62a_100000717027_200025704644 [0,1,0,0,0,0|3,0,0]=4 300 B9R1.7 [13CH3]SCc1cnc(s1)Br 62a_200025704644_100000717027 [0,1,0,0,0,0|3,0,0]=4 301 B9R1.7 [13CH3]SCc1cnc(s1)Cl 62a_100000058068_200025704644 [0,1,0,0,0,0|3,0,0]=4 302 B9R1.7 [13CH3]SCc1cnc(s1)Cl 62a_200025704644_100000058068 [0,1,0,0,0,0|3,0,0]=4 303 B9R1.7 [13CH3]n1cc(nn1)CCN 274090a_200025704644_100000755551 [0,1,0,0,0,0|1,0,2]=4 304 B9R1.11 CNC(C)c1ccc[nH]1 269862a_106832991636_100000183661 [0,1,0,0,0,0|3,0,0]=4 305 B9R1.12 C#CCSc1cnco1 62a_100000038162_100020591547 [0,1,0,0,0,0|2,0,1]=4 306 B9R1.12 C#CCSc1cncs1 62a_100000038162_100011934649 [0,1,0,0,0,0|2,0,1]=4 307 B9R1.12 C=CCSc1cnco1 62a_100000210623_100020591547 [0,1,0,0,0,0|2,0,1]=4 308 B9R1.12 C=CCSc1cnco1 62a_100020591547_100000210623 [0,1,0,0,0,0|2,0,1]=4 309 B9R1.12 C=CCSc1cncs1 62a_100000210623_100011934649 [0,1,0,0,0,0|2,0,1]=4 310 B9R1.12 C=CCSc1cncs1 62a_100011934649_100000210623 [0,1,0,0,0,0|2,0,1]=4 311 B9R1.12 CCCCc1c[nH]cn1 271570a_100020621405_100000756875 [0,1,0,0,0,0|1,0,2]=4 312 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [0,1,0,0,0,0|3,0,0]=4 313 B9R1.12 CCCCc1cccs1 271570a_100020621405_100011215356 [0,1,0,0,0,0|3,0,0]=4 314 B9R1.12 CCCCc1ccoc1 271570a_100020621405_100011215275 [0,1,0,0,0,0|3,0,0]=4 315 B9R1.12 CCCCc1ccsc1 271570a_100020621405_100000738268 [0,1,0,0,0,0|3,0,0]=4 316 B9R1.12 CCCCc1cn[nH]c1 271570a_100020621405_100000238712 [0,1,0,0,0,0|3,0,0]=4 317 B9R1.12 CCCCc1cnco1 271570a_100020621405_100020591547 [0,1,0,0,0,0|2,0,0]=3 318 B9R1.12 CCCCc1cncs1 271570a_100020621405_100011934649 [0,1,0,0,0,0|2,0,0]=3 319 B9R1.12 CCCCc1cnoc1 271570a_100020621405_100009815712 [0,1,0,0,0,0|3,0,0]=4 320 B9R1.12 CCCCc1cnsc1 271570a_100020621405_100009815736 [0,1,0,0,0,0|3,0,0]=4 321 B9R1.12 CCCCc1cscn1 271570a_100020621405_100000751502 [0,1,0,0,0,0|2,0,1]=4 322 B9R1.12 CCCCc1ncc[nH]1 271570a_100020621405_100025796157 [0,1,0,0,0,0|3,0,0]=4 323 B9R1.12 CCCCc1ncns1 271570a_100020621405_100000693119 [0,1,0,0,0,0|2,0,1]=4 324 B9R1.12 CCCCc1nncs1 271570a_100020621405_100000739804 [0,1,0,0,0,0|3,0,0]=4 325 B9R1.12 CCCOc1ccsc1 34a_100000106738_100000210303 [0,1,0,0,0,0|3,0,0]=4 326 B9R1.12 CCCOc1ccsc1 7a_100000106738_100000210303 [0,1,0,0,0,0|3,0,0]=4 327 B9R1.12 CCCSc1c[nH]cn1 62a_100000210303_100000756875 [0,1,0,0,0,0|1,0,2]=4 328 B9R1.12 CCCSc1c[nH]cn1 62a_100000756875_100000210303 [0,1,0,0,0,0|1,0,2]=4 329 B9R1.12 CCCSc1ccco1 62a_100000210303_100009814098 [0,1,0,0,0,0|3,0,0]=4 330 B9R1.12 CCCSc1ccco1 62a_100009814098_100000210303 [0,1,0,0,0,0|3,0,0]=4 331 B9R1.12 CCCSc1cccs1 62a_100000210303_100011215356 [0,1,0,0,0,0|3,0,0]=4 332 B9R1.12 CCCSc1cccs1 62a_100011215356_100000210303 [0,1,0,0,0,0|3,0,0]=4 333 B9R1.12 CCCSc1ccoc1 62a_100000210303_100011215275 [0,1,0,0,0,0|3,0,0]=4 334 B9R1.12 CCCSc1ccoc1 62a_100011215275_100000210303 [0,1,0,0,0,0|3,0,0]=4 335 B9R1.12 CCCSc1ccsc1 62a_100000210303_100000738268 [0,1,0,0,0,0|3,0,0]=4 336 B9R1.12 CCCSc1ccsc1 62a_100000738268_100000210303 [0,1,0,0,0,0|3,0,0]=4 337 B9R1.12 CCCSc1cn[nH]c1 62a_100000210303_100000238712 [0,1,0,0,0,0|3,0,0]=4 338 B9R1.12 CCCSc1cn[nH]c1 62a_100000238712_100000210303 [0,1,0,0,0,0|3,0,0]=4 339 B9R1.12 CCCSc1cnco1 62a_100000210303_100020591547 [0,1,0,0,0,0|2,0,0]=3 340 B9R1.12 CCCSc1cnco1 62a_100020591547_100000210303 [0,1,0,0,0,0|2,0,0]=3 341 B9R1.12 CCCSc1cncs1 62a_100000210303_100011934649 [0,1,0,0,0,0|2,0,0]=3 342 B9R1.12 CCCSc1cncs1 62a_100011934649_100000210303 [0,1,0,0,0,0|2,0,0]=3 343 B9R1.12 CCCSc1cnoc1 62a_100000210303_100009815712 [0,1,0,0,0,0|3,0,0]=4 344 B9R1.12 CCCSc1cnoc1 62a_100009815712_100000210303 [0,1,0,0,0,0|3,0,0]=4 345 B9R1.12 CCCSc1cnsc1 62a_100000210303_100009815736 [0,1,0,0,0,0|3,0,0]=4 346 B9R1.12 CCCSc1cnsc1 62a_100009815736_100000210303 [0,1,0,0,0,0|3,0,0]=4 347 B9R1.12 CCCSc1cscn1 62a_100000210303_100000751502 [0,1,0,0,0,0|2,0,1]=4 348 B9R1.12 CCCSc1cscn1 62a_100000751502_100000210303 [0,1,0,0,0,0|2,0,1]=4 349 B9R1.12 CCCSc1ncc[nH]1 62a_100000210303_100025796157 [0,1,0,0,0,0|3,0,0]=4 350 B9R1.12 CCCSc1ncc[nH]1 62a_100025796157_100000210303 [0,1,0,0,0,0|3,0,0]=4 351 B9R1.12 CCCSc1ncns1 62a_100000210303_100000693119 [0,1,0,0,0,0|2,0,1]=4 352 B9R1.12 CCCSc1ncns1 62a_100000693119_100000210303 [0,1,0,0,0,0|2,0,1]=4 353 B9R1.12 CCCSc1nncs1 62a_100000210303_100000739804 [0,1,0,0,0,0|3,0,0]=4 354 B9R1.12 CCCSc1nncs1 62a_100000739804_100000210303 [0,1,0,0,0,0|3,0,0]=4 355 B9R1.12 CCNCc1c[nH]cn1 2230a_100015525214_100000707719 [0,1,0,0,0,0|1,0,2]=4 356 B9R1.12 CCNCc1ccco1 207a_100015525214_100000186105 [0,1,0,0,0,0|3,0,0]=4 357 B9R1.12 CCNCc1ccco1 2230a_100000185738_100000210202 [0,1,0,0,0,0|3,0,0]=4 358 B9R1.12 CCNCc1ccco1 270004a_100015525214_100000186105 [0,1,0,0,0,0|3,0,0]=4 359 B9R1.12 CCNCc1ccco1 34a_100000185738_100000210202 [0,1,0,0,0,0|3,0,0]=4 360 B9R1.12 CCNCc1cccs1 207a_100015525214_100000209959 [0,1,0,0,0,0|3,0,0]=4 361 B9R1.12 CCNCc1cccs1 2230a_100000211653_100000210202 [0,1,0,0,0,0|3,0,0]=4 362 B9R1.12 CCNCc1cccs1 270004a_100015525214_100000209959 [0,1,0,0,0,0|3,0,0]=4 363 B9R1.12 CCNCc1ccn[nH]1 2230a_100015525214_100000728653 [0,1,0,0,0,0|3,0,0]=4 364 B9R1.12 CCNCc1ccoc1 207a_100015525214_100011215517 [0,1,0,0,0,0|3,0,0]=4 365 B9R1.12 CCNCc1ccoc1 2230a_100015206860_100000210202 [0,1,0,0,0,0|3,0,0]=4 366 B9R1.12 CCNCc1ccoc1 270004a_100015525214_100011215517 [0,1,0,0,0,0|3,0,0]=4 367 B9R1.12 CCNCc1ccoc1 34a_100015206860_100000210202 [0,1,0,0,0,0|3,0,0]=4 368 B9R1.12 CCNCc1ccsc1 207a_100015525214_100000188534 [0,1,0,0,0,0|3,0,0]=4 369 B9R1.12 CCNCc1ccsc1 2230a_100000186416_100000210202 [0,1,0,0,0,0|3,0,0]=4 370 B9R1.12 CCNCc1ccsc1 2230a_100015525214_100011261437 [0,1,0,0,0,0|3,0,0]=4 371 B9R1.12 CCNCc1ccsc1 270004a_100015525214_100000188534 [0,1,0,0,0,0|3,0,0]=4 372 B9R1.12 CCNCc1ccsc1 34a_100000186416_100000210202 [0,1,0,0,0,0|3,0,0]=4 373 B9R1.12 CCNCc1cn[nH]c1 207a_100015525214_100016992096 [0,1,0,0,0,0|3,0,0]=4 374 B9R1.12 CCNCc1cn[nH]c1 270004a_100015525214_100016992096 [0,1,0,0,0,0|3,0,0]=4 375 B9R1.12 CCNCc1cnc[nH]1 207a_100015525214_100000742939 [0,1,0,0,0,0|1,0,0]=2 376 B9R1.12 CCNCc1cnco1 270004a_100015525214_100000064291 [0,1,0,0,0,0|2,0,0]=3 377 B9R1.12 CCNCc1cncs1 207a_100015525214_100000749870 [0,1,0,0,0,0|2,0,0]=3 378 B9R1.12 CCNCc1cncs1 2230a_100015525214_100015185245 [0,1,0,0,0,0|2,0,0]=3 379 B9R1.12 CCNCc1cncs1 2230a_100016987365_100000210202 [0,1,0,0,0,0|2,0,0]=3 380 B9R1.12 CCNCc1cncs1 270004a_100015525214_100000749870 [0,1,0,0,0,0|2,0,0]=3 381 B9R1.12 CCNCc1cocn1 270004a_100015525214_100000050382 [0,1,0,0,0,0|2,0,1]=4 382 B9R1.12 CCNCc1cscn1 207a_100015525214_100000743575 [0,1,0,0,0,0|2,0,1]=4 383 B9R1.12 CCNCc1cscn1 2230a_100015185402_100000210202 [0,1,0,0,0,0|2,0,1]=4 384 B9R1.12 CCNCc1cscn1 2230a_100015525214_100000205941 [0,1,0,0,0,0|2,0,1]=4 385 B9R1.12 CCNCc1cscn1 270004a_100015525214_100000743575 [0,1,0,0,0,0|2,0,1]=4 386 B9R1.12 CCNCc1ncc[nH]1 207a_100015525214_100000743867 [0,1,0,0,0,0|3,0,0]=4 387 B9R1.12 CCNCc1ncc[nH]1 2230a_100015525214_100016991755 [0,1,0,0,0,0|3,0,0]=4 388 B9R1.12 CCNCc1nnc[nH]1 2230a_200015183720_100000210202 [0,1,0,0,0,0|2,0,0]=3 389 B9R1.12 CCNCn1cncn1 2230a_100015525214_200020645497 [0,1,0,0,0,0|2,0,1]=4 390 B9R1.12 CCOCc1c[nH]cn1 34a_100121572206_100000707719 [0,1,0,0,0,0|1,0,2]=4 391 B9R1.12 CCOCc1ccco1 34a_100000210059_100000210202 [0,1,0,0,0,0|3,0,0]=4 392 B9R1.12 CCOCc1cccs1 34a_100000211240_100000210202 [0,1,0,0,0,0|3,0,0]=4 393 B9R1.12 CCOCc1ccn[nH]1 34a_100121572206_100000728653 [0,1,0,0,0,0|3,0,0]=4 394 B9R1.12 CCOCc1ccno1 34a_100000740478_100000210202 [0,1,0,0,0,0|3,0,0]=4 395 B9R1.12 CCOCc1ccoc1 34a_100011215357_100000210202 [0,1,0,0,0,0|3,0,0]=4 396 B9R1.12 CCOCc1ccsc1 34a_100011215551_100000210202 [0,1,0,0,0,0|3,0,0]=4 397 B9R1.12 CCOCc1ccsc1 34a_100121572206_100011261437 [0,1,0,0,0,0|3,0,0]=4 398 B9R1.12 CCOCc1cncs1 34a_100121572206_100015185245 [0,1,0,0,0,0|2,0,0]=3 399 B9R1.12 CCOCc1cscn1 34a_100121572206_100000205941 [0,1,0,0,0,0|2,0,1]=4 400 B9R1.12 CCOCc1ncc[nH]1 34a_100121572206_100016991755 [0,1,0,0,0,0|3,0,0]=4 401 B9R1.12 CCOCc1nnn[nH]1 34a_100121572206_100000765167 [0,1,0,0,0,0|3,0,0]=4 402 B9R1.12 CCOCn1cncn1 34a_100121572206_200020645497 [0,1,0,0,0,0|2,0,1]=4 403 B9R1.12 CCSCc1c[nH]cn1 62a_100000210202_100000707719 [0,1,0,0,0,0|1,0,2]=4 404 B9R1.12 CCSCc1c[nH]cn1 62a_100000707719_100000210202 [0,1,0,0,0,0|1,0,2]=4 405 B9R1.12 CCSCc1ccn[nH]1 62a_100000210202_100000728653 [0,1,0,0,0,0|3,0,0]=4 406 B9R1.12 CCSCc1ccn[nH]1 62a_100000728653_100000210202 [0,1,0,0,0,0|3,0,0]=4 407 B9R1.12 CCSCc1ccsc1 62a_100000210202_100011233845 [0,1,0,0,0,0|3,0,0]=4 408 B9R1.12 CCSCc1ccsc1 62a_100011261437_100000210202 [0,1,0,0,0,0|3,0,0]=4 409 B9R1.12 CCSCc1cncs1 62a_100000210202_100015185245 [0,1,0,0,0,0|2,0,0]=3 410 B9R1.12 CCSCc1cncs1 62a_100015185245_100000210202 [0,1,0,0,0,0|2,0,0]=3 411 B9R1.12 CCSCc1cscn1 62a_100000205941_100000210202 [0,1,0,0,0,0|2,0,1]=4 412 B9R1.12 CCSCc1cscn1 62a_100000210202_100000205941 [0,1,0,0,0,0|2,0,1]=4 413 B9R1.12 CCSCc1ncc[nH]1 62a_100000210202_100016991755 [0,1,0,0,0,0|3,0,0]=4 414 B9R1.12 CCSCc1ncc[nH]1 62a_100016991755_100000210202 [0,1,0,0,0,0|3,0,0]=4 415 B9R1.12 CCSCc1nnn[nH]1 62a_100000210202_100000765167 [0,1,0,0,0,0|3,0,0]=4 416 B9R1.12 CCSCc1nnn[nH]1 62a_100000765167_100000210202 [0,1,0,0,0,0|3,0,0]=4 417 B9R1.12 CCSCn1cncn1 62a_100000210202_200020645497 [0,1,0,0,0,0|2,0,1]=4 418 B9R1.12 CCSCn1cncn1 62a_200020645497_100000210202 [0,1,0,0,0,0|2,0,1]=4 419 B9R1.12 CNCCc1c[nH]cn1 2230a_106832991635_100020628418 [0,1,0,0,0,0|0,0,2]=3 420 B9R1.12 CNCCc1c[nH]cn1 7a_106832991635_100020628418 [0,1,0,0,0,0|0,0,2]=3 421 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [0,1,0,0,0,0|2,0,0]=3 422 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [0,1,0,0,0,0|2,0,0]=3 423 B9R1.12 CNCCc1cccs1 2230a_100000203755_200000210301 [0,1,0,0,0,0|2,0,0]=3 424 B9R1.12 CNCCc1cccs1 2230a_106832991635_100000748579 [0,1,0,0,0,0|2,0,0]=3 425 B9R1.12 CNCCc1cccs1 34a_100000203755_200000210301 [0,1,0,0,0,0|2,0,0]=3 426 B9R1.12 CNCCc1cccs1 34a_100102657272_100000748579 [0,1,0,0,0,0|2,0,0]=3 427 B9R1.12 CNCCc1cccs1 7a_106832991635_100000748579 [0,1,0,0,0,0|2,0,0]=3 428 B9R1.12 CNCCc1ccsc1 2230a_100000692642_200000210301 [0,1,0,0,0,0|2,0,0]=3 429 B9R1.12 CNCCc1ccsc1 34a_100000692642_200000210301 [0,1,0,0,0,0|2,0,0]=3 430 B9R1.12 CNCCc1cn[nH]c1 2230a_100000732747_200000210301 [0,1,0,0,0,0|2,0,0]=3 431 B9R1.12 CNCCc1cn[nH]c1 2230a_106832991635_100000743252 [0,1,0,0,0,0|2,0,0]=3 432 B9R1.12 CNCCc1cn[nH]c1 7a_106832991635_100000743252 [0,1,0,0,0,0|2,0,0]=3 433 B9R1.12 CNCCc1cncs1 2230a_100016991637_200000210301 [0,1,0,0,0,0|1,0,0]=2 434 B9R1.12 CNCCc1nccs1 2230a_100015186391_200000210301 [0,1,0,0,0,0|2,0,1]=4 435 B9R1.12 CNCCc1nnn[nH]1 7a_106832991635_100000031946 [0,1,0,0,0,0|2,0,0]=3 436 B9R1.12 CNCCn1cccc1 2230a_106832991635_200009811947 [0,1,0,0,0,0|3,0,0]=4 437 B9R1.12 CNCCn1cccc1 34a_100011368172_200000210301 [0,1,0,0,0,0|3,0,0]=4 438 B9R1.12 CNCCn1cccc1 7a_106832991635_200000035178 [0,1,0,0,0,0|3,0,0]=4 439 B9R1.12 CNCCn1cccn1 2230a_100011200920_200000210301 [0,1,0,0,0,0|2,0,1]=4 440 B9R1.12 CNCCn1cccn1 2230a_106832991635_100000685285 [0,1,0,0,0,0|2,0,1]=4 441 B9R1.12 CNCCn1cccn1 34a_100102657272_100015204718 [0,1,0,0,0,0|2,0,1]=4 442 B9R1.12 CNCCn1cccn1 7a_106832991635_100000685285 [0,1,0,0,0,0|2,0,1]=4 443 B9R1.12 CNCCn1ccnc1 7a_106832991635_100000702546 [0,1,0,0,0,0|2,0,0]=3 444 B9R1.12 CNCCn1cncn1 2230a_106832991635_100000731791 [0,1,0,0,0,0|1,0,1]=3 445 B9R1.12 CNCCn1cncn1 2230a_200000738561_200000210301 [0,1,0,0,0,0|1,0,1]=3 446 B9R1.12 CNCCn1cncn1 34a_100102657272_200000749826 [0,1,0,0,0,0|1,0,1]=3 447 B9R1.12 CNCCn1cncn1 7a_106832991635_100000731791 [0,1,0,0,0,0|1,0,1]=3 448 B9R1.12 COCCc1cccs1 34a_100011216825_200000210301 [0,1,0,0,0,0|3,0,0]=4 449 B9R1.12 COCCc1cccs1 34a_100138415774_100000748579 [0,1,0,0,0,0|3,0,0]=4 450 B9R1.12 COCCc1cccs1 7a_100011216825_200000210301 [0,1,0,0,0,0|3,0,0]=4 451 B9R1.12 COCCc1ccsc1 34a_100000748821_200000210301 [0,1,0,0,0,0|3,0,0]=4 452 B9R1.12 COCCc1cn[nH]c1 34a_100000766553_200000210301 [0,1,0,0,0,0|3,0,0]=4 453 B9R1.12 COCCc1cnoc1 34a_100000732699_200000210301 [0,1,0,0,0,0|3,0,0]=4 454 B9R1.12 COCCc1ncc[nH]1 34a_103549771195_200000210301 [0,1,0,0,0,0|3,0,0]=4 455 B9R1.12 COCCn1ccnc1 34a_100000719764_200000210301 [0,1,0,0,0,0|3,0,0]=4 456 B9R1.12 COCCn1cncn1 34a_100000745309_200000210301 [0,1,0,0,0,0|2,0,1]=4 457 B9R1.12 COCCn1cncn1 34a_100138415774_200000749826 [0,1,0,0,0,0|2,0,1]=4 458 B9R1.12 COCSc1cnco1 62a_100000766300_100020591547 [0,1,0,0,0,0|3,0,0]=4 459 B9R1.12 COCSc1cnco1 62a_100020591547_100000766300 [0,1,0,0,0,0|3,0,0]=4 460 B9R1.12 COCSc1cncs1 62a_100000766300_100011934649 [0,1,0,0,0,0|3,0,0]=4 461 B9R1.12 COCSc1cncs1 62a_100011934649_100000766300 [0,1,0,0,0,0|3,0,0]=4 462 B9R1.12 CSCCc1c[nH]cn1 62a_100020628418_200000210301 [0,1,0,0,0,0|1,0,2]=4 463 B9R1.12 CSCCc1c[nH]cn1 62a_200000210301_100020628418 [0,1,0,0,0,0|1,0,2]=4 464 B9R1.12 CSCCc1cccs1 62a_100000748579_200000210301 [0,1,0,0,0,0|3,0,0]=4 465 B9R1.12 CSCCc1cccs1 62a_200000210301_100000748579 [0,1,0,0,0,0|3,0,0]=4 466 B9R1.12 CSCCc1cn[nH]c1 62a_100000743252_200000210301 [0,1,0,0,0,0|3,0,0]=4 467 B9R1.12 CSCCc1cn[nH]c1 62a_200000210301_100000743252 [0,1,0,0,0,0|3,0,0]=4 468 B9R1.12 CSCCc1nnn[nH]1 62a_100000031946_200000210301 [0,1,0,0,0,0|3,0,0]=4 469 B9R1.12 CSCCc1nnn[nH]1 62a_200000210301_100000031946 [0,1,0,0,0,0|3,0,0]=4 470 B9R1.12 CSCCn1ccnc1 62a_100000702546_200000210301 [0,1,0,0,0,0|3,0,0]=4 471 B9R1.12 CSCCn1ccnc1 62a_200000210301_100000702546 [0,1,0,0,0,0|3,0,0]=4 472 B9R1.12 CSCCn1cncn1 62a_100000731791_200000210301 [0,1,0,0,0,0|2,0,1]=4 473 B9R1.12 CSCCn1cncn1 62a_200000210301_100000731791 [0,1,0,0,0,0|2,0,1]=4 474 B9R1.12 CSCSc1cnco1 62a_100011218213_100020591547 [0,1,0,0,0,0|3,0,0]=4 475 B9R1.12 CSCSc1cnco1 62a_100020591547_100011218213 [0,1,0,0,0,0|3,0,0]=4 476 B9R1.12 CSCSc1cncs1 62a_100011218213_100011934649 [0,1,0,0,0,0|3,0,0]=4 477 B9R1.12 CSCSc1cncs1 62a_100011934649_100011218213 [0,1,0,0,0,0|3,0,0]=4 478 B9R1.12 FCCOc1ccsc1 34a_100000106738_100011217306 [0,1,0,0,0,0|3,0,0]=4 479 B9R1.12 FCCOc1ccsc1 7a_100000106738_100011217306 [0,1,0,0,0,0|3,0,0]=4 480 B9R1.12 FCCSc1c[nH]cn1 62a_100000756875_100011217306 [0,1,0,0,0,0|1,0,2]=4 481 B9R1.12 FCCSc1c[nH]cn1 62a_100011217306_100000756875 [0,1,0,0,0,0|1,0,2]=4 482 B9R1.12 FCCSc1ccco1 62a_100009814098_100011217306 [0,1,0,0,0,0|3,0,0]=4 483 B9R1.12 FCCSc1ccco1 62a_100011217306_100009814098 [0,1,0,0,0,0|3,0,0]=4 484 B9R1.12 FCCSc1cccs1 62a_100011215356_100011217306 [0,1,0,0,0,0|3,0,0]=4 485 B9R1.12 FCCSc1cccs1 62a_100011217306_100011215356 [0,1,0,0,0,0|3,0,0]=4 486 B9R1.12 FCCSc1ccoc1 62a_100011215275_100011217306 [0,1,0,0,0,0|3,0,0]=4 487 B9R1.12 FCCSc1ccoc1 62a_100011217306_100011215275 [0,1,0,0,0,0|3,0,0]=4 488 B9R1.12 FCCSc1ccsc1 62a_100000738268_100011217306 [0,1,0,0,0,0|3,0,0]=4 489 B9R1.12 FCCSc1ccsc1 62a_100011217306_100000738268 [0,1,0,0,0,0|3,0,0]=4 490 B9R1.12 FCCSc1cn[nH]c1 62a_100000238712_100011217306 [0,1,0,0,0,0|3,0,0]=4 491 B9R1.12 FCCSc1cn[nH]c1 62a_100011217306_100000238712 [0,1,0,0,0,0|3,0,0]=4 492 B9R1.12 FCCSc1cnco1 62a_100011217306_100020591547 [0,1,0,0,0,0|2,0,0]=3 493 B9R1.12 FCCSc1cnco1 62a_100020591547_100011217306 [0,1,0,0,0,0|2,0,0]=3 494 B9R1.12 FCCSc1cncs1 62a_100011217306_100011934649 [0,1,0,0,0,0|2,0,0]=3 495 B9R1.12 FCCSc1cncs1 62a_100011934649_100011217306 [0,1,0,0,0,0|2,0,0]=3 496 B9R1.12 FCCSc1cnoc1 62a_100009815712_100011217306 [0,1,0,0,0,0|3,0,0]=4 497 B9R1.12 FCCSc1cnoc1 62a_100011217306_100009815712 [0,1,0,0,0,0|3,0,0]=4 498 B9R1.12 FCCSc1cnsc1 62a_100009815736_100011217306 [0,1,0,0,0,0|3,0,0]=4 499 B9R1.12 FCCSc1cnsc1 62a_100011217306_100009815736 [0,1,0,0,0,0|3,0,0]=4 500 B9R1.12 FCCSc1cscn1 62a_100000751502_100011217306 [0,1,0,0,0,0|2,0,1]=4 501 B9R1.12 FCCSc1cscn1 62a_100011217306_100000751502 [0,1,0,0,0,0|2,0,1]=4 502 B9R1.12 FCCSc1ncc[nH]1 62a_100011217306_100025796157 [0,1,0,0,0,0|3,0,0]=4 503 B9R1.12 FCCSc1ncc[nH]1 62a_100025796157_100011217306 [0,1,0,0,0,0|3,0,0]=4 504 B9R1.12 FCCSc1ncns1 62a_100000693119_100011217306 [0,1,0,0,0,0|2,0,1]=4 505 B9R1.12 FCCSc1ncns1 62a_100011217306_100000693119 [0,1,0,0,0,0|2,0,1]=4 506 B9R1.12 FCCSc1nncs1 62a_100000739804_100011217306 [0,1,0,0,0,0|3,0,0]=4 507 B9R1.12 FCCSc1nncs1 62a_100011217306_100000739804 [0,1,0,0,0,0|3,0,0]=4 508 B9R1.12 FCNCc1ccco1 34a_100000185738_100015361967 [0,1,0,0,0,0|3,0,0]=4 509 B9R1.12 FCNCc1ccoc1 34a_100015206860_100015361967 [0,1,0,0,0,0|3,0,0]=4 510 B9R1.12 FCNCc1ccsc1 34a_100000186416_100015361967 [0,1,0,0,0,0|3,0,0]=4 511 B9R1.12 FCOCc1ccco1 34a_100000210059_100015361967 [0,1,0,0,0,0|3,0,0]=4 512 B9R1.12 FCOCc1cccs1 34a_100000211240_100015361967 [0,1,0,0,0,0|3,0,0]=4 513 B9R1.12 FCOCc1ccno1 34a_100000740478_100015361967 [0,1,0,0,0,0|3,0,0]=4 514 B9R1.12 FCOCc1ccoc1 34a_100011215357_100015361967 [0,1,0,0,0,0|3,0,0]=4 515 B9R1.12 FCOCc1ccsc1 34a_100011215551_100015361967 [0,1,0,0,0,0|3,0,0]=4 516 B9R1.12 FCSCc1c[nH]cn1 62a_100000707719_100015361967 [0,1,0,0,0,0|1,0,2]=4 517 B9R1.12 FCSCc1c[nH]cn1 62a_100015361967_100000707719 [0,1,0,0,0,0|1,0,2]=4 518 B9R1.12 FCSCc1ccn[nH]1 62a_100000728653_100015361967 [0,1,0,0,0,0|3,0,0]=4 519 B9R1.12 FCSCc1ccn[nH]1 62a_100015361967_100000728653 [0,1,0,0,0,0|3,0,0]=4 520 B9R1.12 FCSCc1ccsc1 62a_100011261437_100015361967 [0,1,0,0,0,0|3,0,0]=4 521 B9R1.12 FCSCc1ccsc1 62a_100015361967_100011233845 [0,1,0,0,0,0|3,0,0]=4 522 B9R1.12 FCSCc1cncs1 62a_100015185245_100015361967 [0,1,0,0,0,0|2,0,0]=3 523 B9R1.12 FCSCc1cncs1 62a_100015361967_100015185245 [0,1,0,0,0,0|2,0,0]=3 524 B9R1.12 FCSCc1cscn1 62a_100000205941_100015361967 [0,1,0,0,0,0|2,0,1]=4 525 B9R1.12 FCSCc1cscn1 62a_100015361967_100000205941 [0,1,0,0,0,0|2,0,1]=4 526 B9R1.12 FCSCc1ncc[nH]1 62a_100015361967_100016991755 [0,1,0,0,0,0|3,0,0]=4 527 B9R1.12 FCSCc1ncc[nH]1 62a_100016991755_100015361967 [0,1,0,0,0,0|3,0,0]=4 528 B9R1.12 FCSCc1nnn[nH]1 62a_100000765167_100015361967 [0,1,0,0,0,0|3,0,0]=4 529 B9R1.12 FCSCc1nnn[nH]1 62a_100015361967_100000765167 [0,1,0,0,0,0|3,0,0]=4 530 B9R1.12 FCSCn1cncn1 62a_100015361967_200020645497 [0,1,0,0,0,0|2,0,1]=4 531 B9R1.12 FCSCn1cncn1 62a_200020645497_100015361967 [0,1,0,0,0,0|2,0,1]=4 532 B9R1.12 N#CCSc1cnco1 62a_100011215382_100020591547 [0,1,0,0,0,0|1,0,2]=4 533 B9R1.12 N#CCSc1cnco1 62a_100020591547_100011215382 [0,1,0,0,0,0|1,0,2]=4 534 B9R1.12 N#CCSc1cncs1 62a_100011215382_100011934649 [0,1,0,0,0,0|1,0,2]=4 535 B9R1.12 N#CCSc1cncs1 62a_100011934649_100011215382 [0,1,0,0,0,0|1,0,2]=4 536 B9R1.12 O=CCSc1cnco1 62a_100020591547_200015260668 [0,1,0,0,0,0|2,0,1]=4 537 B9R1.12 O=CCSc1cnco1 62a_200015260668_100020591547 [0,1,0,0,0,0|2,0,1]=4 538 B9R1.12 O=CCSc1cncs1 62a_100011934649_200015260668 [0,1,0,0,0,0|2,0,1]=4 539 B9R1.12 O=CCSc1cncs1 62a_200015260668_100011934649 [0,1,0,0,0,0|2,0,1]=4 540 B9R1.12 OCCNc1ncns1 27a_100000210304_100000693119 [0,1,0,0,0,0|2,0,1]=4 541 B9R1.12 OCCNc1nncs1 27a_100000210304_100000739804 [0,1,0,0,0,0|3,0,0]=4 542 B9R1.12 OCCOc1ccsc1 34a_100000106738_100000211926 [0,1,0,0,0,0|3,0,0]=4 543 B9R1.12 OCCOc1ccsc1 7a_100000106738_100000211926 [0,1,0,0,0,0|3,0,0]=4 544 B9R1.12 OCCSc1c[nH]cn1 62a_100000211926_100000756875 [0,1,0,0,0,0|1,0,2]=4 545 B9R1.12 OCCSc1c[nH]cn1 62a_100000756875_100000211926 [0,1,0,0,0,0|1,0,2]=4 546 B9R1.12 OCCSc1ccco1 62a_100000211926_100009814098 [0,1,0,0,0,0|3,0,0]=4 547 B9R1.12 OCCSc1ccco1 62a_100009814098_100000211926 [0,1,0,0,0,0|3,0,0]=4 548 B9R1.12 OCCSc1cccs1 62a_100000211926_100011215356 [0,1,0,0,0,0|3,0,0]=4 549 B9R1.12 OCCSc1cccs1 62a_100011215356_100000211926 [0,1,0,0,0,0|3,0,0]=4 550 B9R1.12 OCCSc1ccoc1 62a_100000211926_100011215275 [0,1,0,0,0,0|3,0,0]=4 551 B9R1.12 OCCSc1ccoc1 62a_100011215275_100000211926 [0,1,0,0,0,0|3,0,0]=4 552 B9R1.12 OCCSc1ccsc1 62a_100000211926_100000738268 [0,1,0,0,0,0|3,0,0]=4 553 B9R1.12 OCCSc1ccsc1 62a_100000738268_100000211926 [0,1,0,0,0,0|3,0,0]=4 554 B9R1.12 OCCSc1cn[nH]c1 62a_100000211926_100000238712 [0,1,0,0,0,0|3,0,0]=4 555 B9R1.12 OCCSc1cn[nH]c1 62a_100000238712_100000211926 [0,1,0,0,0,0|3,0,0]=4 556 B9R1.12 OCCSc1cnco1 62a_100000211926_100020591547 [0,1,0,0,0,0|2,0,0]=3 557 B9R1.12 OCCSc1cnco1 62a_100020591547_100000211926 [0,1,0,0,0,0|2,0,0]=3 558 B9R1.12 OCCSc1cncs1 62a_100000211926_100011934649 [0,1,0,0,0,0|2,0,0]=3 559 B9R1.12 OCCSc1cncs1 62a_100011934649_100000211926 [0,1,0,0,0,0|2,0,0]=3 560 B9R1.12 OCCSc1cnoc1 62a_100000211926_100009815712 [0,1,0,0,0,0|3,0,0]=4 561 B9R1.12 OCCSc1cnoc1 62a_100009815712_100000211926 [0,1,0,0,0,0|3,0,0]=4 562 B9R1.12 OCCSc1cnsc1 62a_100000211926_100009815736 [0,1,0,0,0,0|3,0,0]=4 563 B9R1.12 OCCSc1cnsc1 62a_100009815736_100000211926 [0,1,0,0,0,0|3,0,0]=4 564 B9R1.12 OCCSc1cscn1 62a_100000211926_100000751502 [0,1,0,0,0,0|2,0,1]=4 565 B9R1.12 OCCSc1cscn1 62a_100000751502_100000211926 [0,1,0,0,0,0|2,0,1]=4 566 B9R1.12 OCCSc1ncc[nH]1 62a_100000211926_100025796157 [0,1,0,0,0,0|3,0,0]=4 567 B9R1.12 OCCSc1ncc[nH]1 62a_100025796157_100000211926 [0,1,0,0,0,0|3,0,0]=4 568 B9R1.12 OCCSc1ncns1 62a_100000211926_100000693119 [0,1,0,0,0,0|2,0,1]=4 569 B9R1.12 OCCSc1ncns1 62a_100000693119_100000211926 [0,1,0,0,0,0|2,0,1]=4 570 B9R1.12 OCCSc1nncs1 62a_100000211926_100000739804 [0,1,0,0,0,0|3,0,0]=4 571 B9R1.12 OCCSc1nncs1 62a_100000739804_100000211926 [0,1,0,0,0,0|3,0,0]=4 572 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [0,1,0,0,0,0|2,0,0]=3 573 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [0,1,0,0,0,0|2,0,0]=3 574 B9R1.12 [13CH3]NCCc1cccs1 2230a_100000203755_200025704644 [0,1,0,0,0,0|2,0,0]=3 575 B9R1.12 [13CH3]NCCc1cccs1 34a_100000203755_200025704644 [0,1,0,0,0,0|2,0,0]=3 576 B9R1.12 [13CH3]NCCc1ccsc1 2230a_100000692642_200025704644 [0,1,0,0,0,0|2,0,0]=3 577 B9R1.12 [13CH3]NCCc1ccsc1 34a_100000692642_200025704644 [0,1,0,0,0,0|2,0,0]=3 578 B9R1.12 [13CH3]NCCc1cn[nH]c1 2230a_100000732747_200025704644 [0,1,0,0,0,0|2,0,0]=3 579 B9R1.12 [13CH3]NCCc1cncs1 2230a_100016991637_200025704644 [0,1,0,0,0,0|1,0,0]=2 580 B9R1.12 [13CH3]NCCc1nccs1 2230a_100015186391_200025704644 [0,1,0,0,0,0|2,0,1]=4 581 B9R1.12 [13CH3]NCCn1cccc1 34a_100011368172_200025704644 [0,1,0,0,0,0|3,0,0]=4 582 B9R1.12 [13CH3]NCCn1cccn1 2230a_100011200920_200025704644 [0,1,0,0,0,0|2,0,1]=4 583 B9R1.12 [13CH3]NCCn1cncn1 2230a_200000738561_200025704644 [0,1,0,0,0,0|1,0,1]=3 584 B9R1.12 [13CH3]OCCc1cccs1 34a_100011216825_200025704644 [0,1,0,0,0,0|3,0,0]=4 585 B9R1.12 [13CH3]OCCc1cccs1 7a_100011216825_200025704644 [0,1,0,0,0,0|3,0,0]=4 586 B9R1.12 [13CH3]OCCc1ccsc1 34a_100000748821_200025704644 [0,1,0,0,0,0|3,0,0]=4 587 B9R1.12 [13CH3]OCCc1cn[nH]c1 34a_100000766553_200025704644 [0,1,0,0,0,0|3,0,0]=4 588 B9R1.12 [13CH3]OCCc1cnoc1 34a_100000732699_200025704644 [0,1,0,0,0,0|3,0,0]=4 589 B9R1.12 [13CH3]OCCc1ncc[nH]1 34a_103549771195_200025704644 [0,1,0,0,0,0|3,0,0]=4 590 B9R1.12 [13CH3]OCCn1ccnc1 34a_100000719764_200025704644 [0,1,0,0,0,0|3,0,0]=4 591 B9R1.12 [13CH3]OCCn1cncn1 34a_100000745309_200025704644 [0,1,0,0,0,0|2,0,1]=4 592 B9R1.12 [13CH3]SCCc1c[nH]cn1 62a_100020628418_200025704644 [0,1,0,0,0,0|1,0,2]=4 593 B9R1.12 [13CH3]SCCc1c[nH]cn1 62a_200025704644_100020628418 [0,1,0,0,0,0|1,0,2]=4 594 B9R1.12 [13CH3]SCCc1cccs1 62a_100000748579_200025704644 [0,1,0,0,0,0|3,0,0]=4 595 B9R1.12 [13CH3]SCCc1cccs1 62a_200025704644_100000748579 [0,1,0,0,0,0|3,0,0]=4 596 B9R1.12 [13CH3]SCCc1cn[nH]c1 62a_100000743252_200025704644 [0,1,0,0,0,0|3,0,0]=4 597 B9R1.12 [13CH3]SCCc1cn[nH]c1 62a_200025704644_100000743252 [0,1,0,0,0,0|3,0,0]=4 598 B9R1.12 [13CH3]SCCc1nnn[nH]1 62a_100000031946_200025704644 [0,1,0,0,0,0|3,0,0]=4 599 B9R1.12 [13CH3]SCCc1nnn[nH]1 62a_200025704644_100000031946 [0,1,0,0,0,0|3,0,0]=4 600 B9R1.12 [13CH3]SCCn1ccnc1 62a_100000702546_200025704644 [0,1,0,0,0,0|3,0,0]=4 601 B9R1.12 [13CH3]SCCn1ccnc1 62a_200025704644_100000702546 [0,1,0,0,0,0|3,0,0]=4 602 B9R1.12 [13CH3]SCCn1cncn1 62a_100000731791_200025704644 [0,1,0,0,0,0|2,0,1]=4 603 B9R1.12 [13CH3]SCCn1cncn1 62a_200025704644_100000731791 [0,1,0,0,0,0|2,0,1]=4 604 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [0,1,0,0,0,0|2,0,1]=4 605 B9R1.13 CC(=O)Cc1cncs1 1458a_100000070787_100015185245 [0,1,0,0,0,0|2,0,1]=4 606 B9R1.13 CC(C)Sc1cnco1 62a_100000210206_100020591547 [0,1,0,0,0,0|3,0,0]=4 607 B9R1.13 CC(C)Sc1cnco1 62a_100020591547_100000210206 [0,1,0,0,0,0|3,0,0]=4 608 B9R1.13 CC(C)Sc1cncs1 62a_100000210206_100011934649 [0,1,0,0,0,0|3,0,0]=4 609 B9R1.13 CC(C)Sc1cncs1 62a_100011934649_100000210206 [0,1,0,0,0,0|3,0,0]=4 610 B9R1.13 CN(C)Cc1cnco1 270004a_100102631434_100000064291 [0,1,0,0,0,0|3,0,0]=4 611 B9R1.13 CN(C)Cc1cncs1 2230a_100102631434_100015185245 [0,1,0,0,0,0|3,0,0]=4 612 B9R1.13 CN(C)Cc1cncs1 269982a_100102631434_100015185245 [0,1,0,0,0,0|3,0,0]=4 613 B9R1.13 CN(C)Cc1cncs1 270004a_100102631434_100000749870 [0,1,0,0,0,0|3,0,0]=4 614 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [0,1,0,0,0,0|2,0,1]=4 615 B9R1.33 C=C=Cc1[nH]cnc1Cl 271570a_100015277604_100010200774 [0,1,0,0,0,0|1,0,2]=4 616 B9R1.33 C=C=Cc1cncn1C 271570a_100015277604_100009814087 [0,1,0,0,0,0|1,0,2]=4 617 B9R1.33 CC=Cc1[nH]cnc1Cl 271570a_100016259895_100010200774 [0,1,0,0,0,0|1,0,2]=4 618 B9R1.33 CC=Cc1cncn1C 271570a_100016259895_100009814087 [0,1,0,0,0,0|1,0,2]=4 619 B9R1.33 CCSc1[nH]cnc1Cl 62a_100000210202_100010200774 [0,1,0,0,0,0|2,0,0]=3 620 B9R1.33 CCSc1[nH]cnc1Cl 62a_100010200774_100000210202 [0,1,0,0,0,0|2,0,0]=3 621 B9R1.33 CCSc1cncn1C 62a_100000210202_100009814087 [0,1,0,0,0,0|2,0,0]=3 622 B9R1.33 CCSc1cncn1C 62a_100009814087_100000210202 [0,1,0,0,0,0|2,0,0]=3 623 B9R1.33 CCSc1scnc1C 62a_100000210202_100009817116 [0,1,0,0,0,0|3,0,0]=4 624 B9R1.33 CCSc1scnc1C 62a_100009817116_100000210202 [0,1,0,0,0,0|3,0,0]=4 625 B9R1.33 CNCc1cccn1C 270004a_106832991635_100000211633 [0,1,0,0,0,0|3,0,0]=4 626 B9R1.33 CNCc1cccn1C 34a_100011219357_200000210301 [0,1,0,0,0,0|3,0,0]=4 627 B9R1.33 CNCc1cncn1C 207a_100102657272_100000750899 [0,1,0,0,0,0|2,0,0]=3 628 B9R1.33 CNCc1cncn1C 270004a_106832991635_100000750899 [0,1,0,0,0,0|2,0,0]=3 629 B9R1.33 CNCc1scnc1C 207a_100102657272_100000764165 [0,1,0,0,0,0|3,0,0]=4 630 B9R1.33 CNCc1scnc1C 2230a_100000752186_200000210301 [0,1,0,0,0,0|3,0,0]=4 631 B9R1.33 COCc1ocnc1C 34a_100000717716_200000210301 [0,1,0,0,0,0|3,0,0]=4 632 B9R1.33 COCc1ocnc1C 7a_100000717716_200000210301 [0,1,0,0,0,0|3,0,0]=4 633 B9R1.33 COCc1scnc1Br 7a_100012000948_200000210301 [0,1,0,0,0,0|3,0,0]=4 634 B9R1.33 COCc1scnc1C 34a_100000750112_200000210301 [0,1,0,0,0,0|3,0,0]=4 635 B9R1.33 COCc1scnc1C 7a_100000750112_200000210301 [0,1,0,0,0,0|3,0,0]=4 636 B9R1.33 Cc1ncoc1CO[13CH3] 34a_100000717716_200025704644 [0,1,0,0,0,0|3,0,0]=4 637 B9R1.33 Cc1ncoc1CO[13CH3] 7a_100000717716_200025704644 [0,1,0,0,0,0|3,0,0]=4 638 B9R1.33 Cc1ncsc1CN[13CH3] 2230a_100000752186_200025704644 [0,1,0,0,0,0|3,0,0]=4 639 B9R1.33 Cc1ncsc1CO[13CH3] 34a_100000750112_200025704644 [0,1,0,0,0,0|3,0,0]=4 640 B9R1.33 Cc1ncsc1CO[13CH3] 7a_100000750112_200025704644 [0,1,0,0,0,0|3,0,0]=4 641 B9R1.33 Cc1ncsc1SCF 62a_100009817116_100015361967 [0,1,0,0,0,0|3,0,0]=4 642 B9R1.33 Cc1ncsc1SCF 62a_100015361967_100009817116 [0,1,0,0,0,0|3,0,0]=4 643 B9R1.33 Cn1cccc1CN[13CH3] 34a_100011219357_200025704644 [0,1,0,0,0,0|3,0,0]=4 644 B9R1.33 Cn1cncc1SCF 62a_100009814087_100015361967 [0,1,0,0,0,0|2,0,0]=3 645 B9R1.33 Cn1cncc1SCF 62a_100015361967_100009814087 [0,1,0,0,0,0|2,0,0]=3 646 B9R1.33 FCSc1[nH]cnc1Cl 62a_100010200774_100015361967 [0,1,0,0,0,0|2,0,0]=3 647 B9R1.33 FCSc1[nH]cnc1Cl 62a_100015361967_100010200774 [0,1,0,0,0,0|2,0,0]=3 648 B9R1.33 [13CH3]OCc1scnc1Br 7a_100012000948_200025704644 [0,1,0,0,0,0|3,0,0]=4 649 B9R2.2 c1c[nH]c(n1)C2CC2 271570a_100011220607_100025796157 [0,0,0,1,0,0|3,0,0]=4 650 B9R2.2 c1cc(co1)C2CC2 271570a_100011220607_100011215275 [0,0,0,1,0,0|3,0,0]=4 651 B9R2.2 c1cc(cs1)C2CC2 271570a_100011220607_100000738268 [0,0,0,1,0,0|3,0,0]=4 652 B9R2.2 c1coc(c1)C2CC2 271570a_100011220607_100009814098 [0,0,0,1,0,0|3,0,0]=4 653 B9R2.2 c1csc(c1)C2CC2 271570a_100011220607_100011215356 [0,0,0,1,0,0|3,0,0]=4 654 B9R2.2 c1n[nH]cc1C2CC2 271570a_100011220607_100000238712 [0,0,0,1,0,0|3,0,0]=4 655 B9R2.2 c1nc(c[nH]1)C2CC2 271570a_100011220607_100000756875 [0,0,0,1,0,0|1,0,2]=4 656 B9R2.2 c1nc(cs1)C2CC2 271570a_100011220607_100000751502 [0,0,0,1,0,0|2,0,1]=4 657 B9R2.2 c1ncc(o1)C2CC2 271570a_100011220607_100020591547 [0,0,0,1,0,0|2,0,0]=3 658 B9R2.2 c1ncc(s1)C2CC2 271570a_100011220607_100011934649 [0,0,0,1,0,0|2,0,0]=3 659 B9R2.2 c1nnc(s1)C2CC2 271570a_100011220607_100000739804 [0,0,0,1,0,0|3,0,0]=4 660 B9R2.2 c1nocc1C2CC2 271570a_100011220607_100009815712 [0,0,0,1,0,0|3,0,0]=4 661 B9R2.2 c1nsc(n1)C2CC2 271570a_100011220607_100000693119 [0,0,0,1,0,0|2,0,1]=4 662 B9R2.2 c1nscc1C2CC2 271570a_100011220607_100009815736 [0,0,0,1,0,0|3,0,0]=4 663 B9R1.8 CCNc1ccncn1 27a_100015525214_100000703185 [0,0,0,0,0,1|2,0,1]=4 664 B9R1.8 CCNc1cnccn1 27a_100015525214_100000211759 [0,0,0,0,0,1|2,0,1]=4 665 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [0,0,0,0,0,1|3,0,0]=4 666 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [0,0,0,0,0,1|3,0,0]=4 667 B9R1.8 CCOc1ccncc1 34a_100000212176_100000210202 [0,0,0,0,0,1|3,0,0]=4 668 B9R1.8 CCOc1ccnnc1 34a_100015204005_100000210202 [0,0,0,0,0,1|3,0,0]=4 669 B9R1.8 CCOc1cncnc1 7a_100000754086_100000210202 [0,0,0,0,0,1|2,0,1]=4 670 B9R1.8 CCSc1cccnc1 62a_100000210063_100000210202 [0,0,0,0,0,1|3,0,0]=4 671 B9R1.8 CCSc1cccnc1 62a_100000210202_100000210063 [0,0,0,0,0,1|3,0,0]=4 672 B9R1.8 CCSc1ccncc1 62a_100000210202_100000728582 [0,0,0,0,0,1|3,0,0]=4 673 B9R1.8 CCSc1ccncc1 62a_100000728582_100000210202 [0,0,0,0,0,1|3,0,0]=4 674 B9R1.8 CCSc1ccncn1 62a_100000210202_100000703185 [0,0,0,0,0,1|2,0,1]=4 675 B9R1.8 CCSc1ccncn1 62a_100000703185_100000210202 [0,0,0,0,0,1|2,0,1]=4 676 B9R1.8 CCSc1ccnnc1 62a_100000210202_100000732662 [0,0,0,0,0,1|3,0,0]=4 677 B9R1.8 CCSc1ccnnc1 62a_100000732662_100000210202 [0,0,0,0,0,1|3,0,0]=4 678 B9R1.8 CCSc1cnccn1 62a_100000210202_100000211759 [0,0,0,0,0,1|2,0,1]=4 679 B9R1.8 CCSc1cnccn1 62a_100000211759_100000210202 [0,0,0,0,0,1|2,0,1]=4 680 B9R1.8 CCSc1cncnc1 62a_100000210202_100011206942 [0,0,0,0,0,1|2,0,1]=4 681 B9R1.8 CCSc1cncnc1 62a_100011206942_100000210202 [0,0,0,0,0,1|2,0,1]=4 682 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [0,0,0,0,0,1|3,0,0]=4 683 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [0,0,0,0,0,1|3,0,0]=4 684 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [0,0,0,0,0,1|3,0,0]=4 685 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [0,0,0,0,0,1|3,0,0]=4 686 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [0,0,0,0,0,1|3,0,0]=4 687 B9R1.8 CNCc1ccncc1 207a_100102657272_100000186114 [0,0,0,0,0,1|3,0,0]=4 688 B9R1.8 CNCc1ccncc1 2230a_106832991635_100015193705 [0,0,0,0,0,1|3,0,0]=4 689 B9R1.8 CNCc1ccncc1 7a_106832991635_100015193705 [0,0,0,0,0,1|3,0,0]=4 690 B9R1.8 CNCc1ccnnc1 270004a_106832991635_100011934578 [0,0,0,0,0,1|3,0,0]=4 691 B9R1.8 CNCc1cnccn1 2230a_106832991635_100016995436 [0,0,0,0,0,1|2,0,1]=4 692 B9R1.8 CNCc1cnccn1 270004a_106832991635_100000749867 [0,0,0,0,0,1|2,0,1]=4 693 B9R1.8 CNCc1cnccn1 34a_100102657272_100016995436 [0,0,0,0,0,1|2,0,1]=4 694 B9R1.8 CNCc1cnccn1 7a_106832991635_100016995436 [0,0,0,0,0,1|2,0,1]=4 695 B9R1.8 CNCc1cncnc1 2230a_100011243677_200000210301 [0,0,0,0,0,1|2,0,1]=4 696 B9R1.8 CNCc1cncnc1 2230a_106832991635_100015196519 [0,0,0,0,0,1|2,0,1]=4 697 B9R1.8 CNCc1cncnc1 270004a_106832991635_100000749868 [0,0,0,0,0,1|2,0,1]=4 698 B9R1.8 CNCc1cncnc1 34a_100102657272_100015196519 [0,0,0,0,0,1|2,0,1]=4 699 B9R1.8 CNCc1cncnc1 7a_106832991635_100015196519 [0,0,0,0,0,1|2,0,1]=4 700 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [0,0,0,0,0,1|3,0,0]=4 701 B9R1.8 COCc1cnccn1 34a_100138415774_100016995436 [0,0,0,0,0,1|2,0,1]=4 702 B9R1.8 COCc1cncnc1 34a_100138415774_100015196519 [0,0,0,0,0,1|2,0,1]=4 703 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [0,0,0,0,0,1|3,0,0]=4 704 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [0,0,0,0,0,1|3,0,0]=4 705 B9R1.8 CSCc1ccncc1 62a_100015193705_200000210301 [0,0,0,0,0,1|3,0,0]=4 706 B9R1.8 CSCc1ccncc1 62a_200000210301_100015193705 [0,0,0,0,0,1|3,0,0]=4 707 B9R1.8 CSCc1cnccn1 62a_100016995436_200000210301 [0,0,0,0,0,1|2,0,1]=4 708 B9R1.8 CSCc1cnccn1 62a_200000210301_100016995436 [0,0,0,0,0,1|2,0,1]=4 709 B9R1.8 CSCc1cncnc1 62a_100015196519_200000210301 [0,0,0,0,0,1|2,0,1]=4 710 B9R1.8 CSCc1cncnc1 62a_200000210301_100015196519 [0,0,0,0,0,1|2,0,1]=4 711 B9R1.8 FCOc1cccnc1 34a_100000210849_100015361967 [0,0,0,0,0,1|3,0,0]=4 712 B9R1.8 FCOc1cccnc1 7a_100000210849_100015361967 [0,0,0,0,0,1|3,0,0]=4 713 B9R1.8 FCOc1ccncc1 34a_100000212176_100015361967 [0,0,0,0,0,1|3,0,0]=4 714 B9R1.8 FCOc1ccnnc1 34a_100015204005_100015361967 [0,0,0,0,0,1|3,0,0]=4 715 B9R1.8 FCOc1cncnc1 7a_100000754086_100015361967 [0,0,0,0,0,1|2,0,1]=4 716 B9R1.8 FCSc1cccnc1 62a_100000210063_100015361967 [0,0,0,0,0,1|3,0,0]=4 717 B9R1.8 FCSc1cccnc1 62a_100015361967_100000210063 [0,0,0,0,0,1|3,0,0]=4 718 B9R1.8 FCSc1ccncc1 62a_100000728582_100015361967 [0,0,0,0,0,1|3,0,0]=4 719 B9R1.8 FCSc1ccncc1 62a_100015361967_100000728582 [0,0,0,0,0,1|3,0,0]=4 720 B9R1.8 FCSc1ccncn1 62a_100000703185_100015361967 [0,0,0,0,0,1|2,0,1]=4 721 B9R1.8 FCSc1ccncn1 62a_100015361967_100000703185 [0,0,0,0,0,1|2,0,1]=4 722 B9R1.8 FCSc1ccnnc1 62a_100000732662_100015361967 [0,0,0,0,0,1|3,0,0]=4 723 B9R1.8 FCSc1ccnnc1 62a_100015361967_100000732662 [0,0,0,0,0,1|3,0,0]=4 724 B9R1.8 FCSc1cnccn1 62a_100000211759_100015361967 [0,0,0,0,0,1|2,0,1]=4 725 B9R1.8 FCSc1cnccn1 62a_100015361967_100000211759 [0,0,0,0,0,1|2,0,1]=4 726 B9R1.8 FCSc1cncnc1 62a_100011206942_100015361967 [0,0,0,0,0,1|2,0,1]=4 727 B9R1.8 FCSc1cncnc1 62a_100015361967_100011206942 [0,0,0,0,0,1|2,0,1]=4 728 B9R1.8 [13CH3]NCc1cncnc1 2230a_100011243677_200025704644 [0,0,0,0,0,1|2,0,1]=4 729 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [0,0,0,0,0,1|3,0,0]=4 730 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [0,0,0,0,0,1|3,0,0]=4 731 B9R1.8 [13CH3]SCc1ccncc1 62a_100015193705_200025704644 [0,0,0,0,0,1|3,0,0]=4 732 B9R1.8 [13CH3]SCc1ccncc1 62a_200025704644_100015193705 [0,0,0,0,0,1|3,0,0]=4 733 B9R1.8 [13CH3]SCc1cnccn1 62a_100016995436_200025704644 [0,0,0,0,0,1|2,0,1]=4 734 B9R1.8 [13CH3]SCc1cnccn1 62a_200025704644_100016995436 [0,0,0,0,0,1|2,0,1]=4 735 B9R1.8 [13CH3]SCc1cncnc1 62a_100015196519_200025704644 [0,0,0,0,0,1|2,0,1]=4 736 B9R1.8 [13CH3]SCc1cncnc1 62a_200025704644_100015196519 [0,0,0,0,0,1|2,0,1]=4 737 B6R0.6 C=CCOCCN 34a_100000210304_100015514636 [1,0,1,0,0,0|2,0,0]=4 738 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [1,0,1,0,0,0|2,0,0]=4 739 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [1,0,1,0,0,0|2,0,0]=4 740 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [1,0,1,0,0,0|2,0,0]=4 741 B6R1.2 Oc1cnco1 271570a_203496583355_100020591547 [2,0,0,0,0,0|2,0,0]=4 742 B6R1.2 Oc1cncs1 271570a_203496583355_100011934649 [2,0,0,0,0,0|2,0,0]=4 743 B8R1.1 CCc1cc(cs1)O 271570a_203496583355_100009846239 [1,1,0,0,0,0|2,0,0]=4 744 B8R1.1 CCc1ccc(s1)O 271570a_203496583355_100009844052 [1,1,0,0,0,0|2,0,0]=4 745 B8R1.1 CCc1nc(no1)C 270196a_100000212224_100000210414 [1,1,0,0,0,0|1,0,1]=4 746 B8R1.1 CCc1nc(no1)O 271570a_203496583355_100012003642 [1,1,0,0,0,0|1,0,1]=4 747 B8R1.1 CCn1cnc(c1)O 271570a_203496583355_100010368372 [1,1,0,0,0,0|2,0,0]=4 748 B8R1.1 CSc1cnc(s1)Br 62a_100012357534_200000210301 [1,1,0,0,0,0|2,0,0]=4 749 B8R1.1 CSc1cnc(s1)Br 62a_200000210301_100012357534 [1,1,0,0,0,0|2,0,0]=4 750 B8R1.1 CSc1cnc(s1)C 62a_100000764884_200000210301 [1,1,0,0,0,0|2,0,0]=4 751 B8R1.1 CSc1cnc(s1)C 62a_200000210301_100000764884 [1,1,0,0,0,0|2,0,0]=4 752 B8R1.1 CSc1cnc(s1)N 62a_100000718969_200000210301 [1,1,0,0,0,0|2,0,0]=4 753 B8R1.1 CSc1cnc(s1)N 62a_200000210301_100000718969 [1,1,0,0,0,0|2,0,0]=4 754 B8R1.1 Cc1ncc(s1)S[13CH3] 62a_100000764884_200025704644 [1,1,0,0,0,0|2,0,0]=4 755 B8R1.1 Cc1ncc(s1)S[13CH3] 62a_200025704644_100000764884 [1,1,0,0,0,0|2,0,0]=4 756 B8R1.1 NCc1ccc(o1)O 271570a_203496583355_100000708654 [1,1,0,0,0,0|2,0,0]=4 757 B8R1.1 NCc1ccc(s1)O 271570a_203496583355_100000737305 [1,1,0,0,0,0|2,0,0]=4 758 B8R1.1 NCc1cnc(s1)O 271570a_203496583355_100000726991 [1,1,0,0,0,0|1,0,0]=3 759 B8R1.1 OCc1cnc(s1)O 271570a_203496583355_100009816753 [1,1,0,0,0,0|2,0,0]=4 760 B8R1.1 [13CH3]Sc1cnc(s1)Br 62a_100012357534_200025704644 [1,1,0,0,0,0|2,0,0]=4 761 B8R1.1 [13CH3]Sc1cnc(s1)Br 62a_200025704644_100012357534 [1,1,0,0,0,0|2,0,0]=4 762 B8R1.1 [13CH3]Sc1cnc(s1)N 62a_100000718969_200025704644 [1,1,0,0,0,0|2,0,0]=4 763 B8R1.1 [13CH3]Sc1cnc(s1)N 62a_200025704644_100000718969 [1,1,0,0,0,0|2,0,0]=4 764 B8R1.7 C=C(C)c1cnco1 271570a_100000694244_100020591547 [1,1,0,0,0,0|1,0,1]=4 765 B8R1.7 C=C(C)c1cncs1 271570a_100000694244_100011934649 [1,1,0,0,0,0|1,0,1]=4 766 B8R1.11 C=Cc1[nH]cnc1Cl 271570a_100011290941_100010200774 [1,1,0,0,0,0|0,0,2]=4 767 B8R1.11 C=Cc1cncn1C 271570a_100011290941_100009814087 [1,1,0,0,0,0|0,0,2]=4 768 B8R1.11 CCc1ccsc1O 271570a_203496583355_200009875468 [1,1,0,0,0,0|2,0,0]=4 769 B8R1.11 CCc1cscc1O 271570a_203496583355_100011068457 [1,1,0,0,0,0|2,0,0]=4 770 B8R1.11 CCn1ccnc1O 271570a_203496583355_100011617267 [1,1,0,0,0,0|2,0,0]=4 771 B8R1.11 CCn1ncnc1O 271570a_203496583355_100009879425 [1,1,0,0,0,0|1,0,1]=4 772 B8R1.11 CSc1[nH]cnc1Cl 62a_100010200774_200000210301 [1,1,0,0,0,0|1,0,0]=3 773 B8R1.11 CSc1[nH]cnc1Cl 62a_200000210301_100010200774 [1,1,0,0,0,0|1,0,0]=3 774 B8R1.11 CSc1cncn1C 62a_100009814087_200000210301 [1,1,0,0,0,0|1,0,0]=3 775 B8R1.11 CSc1cncn1C 62a_200000210301_100009814087 [1,1,0,0,0,0|1,0,0]=3 776 B8R1.11 CSc1scnc1C 62a_100009817116_200000210301 [1,1,0,0,0,0|2,0,0]=4 777 B8R1.11 CSc1scnc1C 62a_200000210301_100009817116 [1,1,0,0,0,0|2,0,0]=4 778 B8R1.11 Cc1ncsc1S[13CH3] 62a_100009817116_200025704644 [1,1,0,0,0,0|2,0,0]=4 779 B8R1.11 Cc1ncsc1S[13CH3] 62a_200025704644_100009817116 [1,1,0,0,0,0|2,0,0]=4 780 B8R1.11 Cn1cncc1S[13CH3] 62a_100009814087_200025704644 [1,1,0,0,0,0|1,0,0]=3 781 B8R1.11 Cn1cncc1S[13CH3] 62a_200025704644_100009814087 [1,1,0,0,0,0|1,0,0]=3 782 B8R1.11 NCc1ccsc1O 271570a_203496583355_100000727803 [1,1,0,0,0,0|2,0,0]=4 783 B8R1.11 OCc1scnc1O 271570a_203496583355_100012000948 [1,1,0,0,0,0|2,0,0]=4 784 B8R1.11 [13CH3]Sc1[nH]cnc1Cl 62a_100010200774_200025704644 [1,1,0,0,0,0|1,0,0]=3 785 B8R1.11 [13CH3]Sc1[nH]cnc1Cl 62a_200025704644_100010200774 [1,1,0,0,0,0|1,0,0]=3 786 B10R1.1 CCCc1cnc(nc1)O 271570a_203496583355_100000039067 [0,1,0,0,0,1|1,0,1]=4 787 B10R1.1 CCSc1cnc(=O)[nH]c1 62a_100000210202_102495366499 [0,1,0,0,0,1|2,0,0]=4 788 B10R1.1 CCSc1cnc(=O)[nH]c1 62a_102495366499_100000210202 [0,1,0,0,0,1|2,0,0]=4 789 B10R1.1 NCCc1ccc(cc1)O 271570a_203496583355_100000755846 [0,1,0,0,0,1|2,0,0]=4 790 B10R1.1 NNCc1ccc(nc1)O 271570a_203496583355_106726394036 [0,1,0,0,0,1|2,0,0]=4 791 B10R1.1 O=c1ncc(c[nH]1)SCF 62a_100015361967_102495366499 [0,1,0,0,0,1|2,0,0]=4 792 B10R1.1 O=c1ncc(c[nH]1)SCF 62a_102495366499_100015361967 [0,1,0,0,0,1|2,0,0]=4 793 B10R1.1 OCCc1ccc(nc1)O 271570a_203496583355_100009880866 [0,1,0,0,0,1|2,0,0]=4 794 B10R1.4 CCCc1ncncc1O 271570a_203496583355_100009816987 [0,1,0,0,0,1|1,0,1]=4 795 B10R1.4 NCCc1ccccc1O 271570a_203496583355_100000747383 [0,1,0,0,0,1|2,0,0]=4 796 B10R1.10 NCCc1cccc(c1)O 271570a_203496583355_100011207229 [0,1,0,0,0,1|2,0,0]=4 797 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [0,1,0,0,0,1|2,0,0]=4 798 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [0,1,0,0,0,1|2,0,0]=4 799 B10R1.17 CCCCc1ccncn1 271570a_100020621405_100000703185 [0,1,0,0,0,1|1,0,1]=4 800 B10R1.17 CCCCc1ccnnc1 271570a_100020621405_100000732662 [0,1,0,0,0,1|2,0,0]=4 801 B10R1.17 CCCCc1cnccn1 271570a_100020621405_100000758340 [0,1,0,0,0,1|1,0,1]=4 802 B10R1.17 CCCCc1cncnc1 271570a_100020621405_100011206942 [0,1,0,0,0,1|1,0,1]=4 803 B10R1.17 CCCOc1cccnc1 34a_100000210849_100000210303 [0,1,0,0,0,1|2,0,0]=4 804 B10R1.17 CCCOc1cccnc1 7a_100000210849_100000210303 [0,1,0,0,0,1|2,0,0]=4 805 B10R1.17 CCCOc1ccncc1 34a_100000212176_100000210303 [0,1,0,0,0,1|2,0,0]=4 806 B10R1.17 CCCOc1ccnnc1 34a_100015204005_100000210303 [0,1,0,0,0,1|2,0,0]=4 807 B10R1.17 CCCOc1cncnc1 7a_100000754086_100000210303 [0,1,0,0,0,1|1,0,1]=4 808 B10R1.17 CCCSc1cccnc1 62a_100000210063_100000210303 [0,1,0,0,0,1|2,0,0]=4 809 B10R1.17 CCCSc1cccnc1 62a_100000210303_100000210063 [0,1,0,0,0,1|2,0,0]=4 810 B10R1.17 CCCSc1ccncc1 62a_100000210303_100000728582 [0,1,0,0,0,1|2,0,0]=4 811 B10R1.17 CCCSc1ccncc1 62a_100000728582_100000210303 [0,1,0,0,0,1|2,0,0]=4 812 B10R1.17 CCCSc1ccncn1 62a_100000210303_100000703185 [0,1,0,0,0,1|1,0,1]=4 813 B10R1.17 CCCSc1ccncn1 62a_100000703185_100000210303 [0,1,0,0,0,1|1,0,1]=4 814 B10R1.17 CCCSc1ccnnc1 62a_100000210303_100000732662 [0,1,0,0,0,1|2,0,0]=4 815 B10R1.17 CCCSc1ccnnc1 62a_100000732662_100000210303 [0,1,0,0,0,1|2,0,0]=4 816 B10R1.17 CCCSc1cnccn1 62a_100000210303_100000211759 [0,1,0,0,0,1|1,0,1]=4 817 B10R1.17 CCCSc1cnccn1 62a_100000211759_100000210303 [0,1,0,0,0,1|1,0,1]=4 818 B10R1.17 CCCSc1cncnc1 62a_100000210303_100011206942 [0,1,0,0,0,1|1,0,1]=4 819 B10R1.17 CCCSc1cncnc1 62a_100011206942_100000210303 [0,1,0,0,0,1|1,0,1]=4 820 B10R1.17 CCNCc1cccnc1 207a_100015525214_100000209961 [0,1,0,0,0,1|2,0,0]=4 821 B10R1.17 CCNCc1cccnc1 2230a_100015525214_100000741622 [0,1,0,0,0,1|2,0,0]=4 822 B10R1.17 CCNCc1cccnc1 270004a_100015525214_100000209961 [0,1,0,0,0,1|2,0,0]=4 823 B10R1.17 CCNCc1ccncc1 207a_100015525214_100000186114 [0,1,0,0,0,1|2,0,0]=4 824 B10R1.17 CCNCc1ccncc1 2230a_100015525214_100015193705 [0,1,0,0,0,1|2,0,0]=4 825 B10R1.17 CCNCc1ccnnc1 270004a_100015525214_100011934578 [0,1,0,0,0,1|2,0,0]=4 826 B10R1.17 CCNCc1cnccn1 2230a_100015525214_100016995436 [0,1,0,0,0,1|1,0,1]=4 827 B10R1.17 CCNCc1cnccn1 270004a_100015525214_100000749867 [0,1,0,0,0,1|1,0,1]=4 828 B10R1.17 CCNCc1cncnc1 2230a_100011243677_100000210202 [0,1,0,0,0,1|1,0,1]=4 829 B10R1.17 CCNCc1cncnc1 2230a_100015525214_100015196519 [0,1,0,0,0,1|1,0,1]=4 830 B10R1.17 CCNCc1cncnc1 270004a_100015525214_100000749868 [0,1,0,0,0,1|1,0,1]=4 831 B10R1.17 CCOCc1cccnc1 34a_100121572206_100000733263 [0,1,0,0,0,1|2,0,0]=4 832 B10R1.17 CCOCc1cnccn1 34a_100121572206_100016995436 [0,1,0,0,0,1|1,0,1]=4 833 B10R1.17 CCOCc1cncnc1 34a_100121572206_100015196519 [0,1,0,0,0,1|1,0,1]=4 834 B10R1.17 CCSCc1cccnc1 62a_100000210202_100000741622 [0,1,0,0,0,1|2,0,0]=4 835 B10R1.17 CCSCc1cccnc1 62a_100000741622_100000210202 [0,1,0,0,0,1|2,0,0]=4 836 B10R1.17 CCSCc1ccncc1 62a_100000210202_100015193705 [0,1,0,0,0,1|2,0,0]=4 837 B10R1.17 CCSCc1ccncc1 62a_100015193705_100000210202 [0,1,0,0,0,1|2,0,0]=4 838 B10R1.17 CCSCc1cnccn1 62a_100000210202_100016995436 [0,1,0,0,0,1|1,0,1]=4 839 B10R1.17 CCSCc1cnccn1 62a_100016995436_100000210202 [0,1,0,0,0,1|1,0,1]=4 840 B10R1.17 CCSCc1cncnc1 62a_100000210202_100015196519 [0,1,0,0,0,1|1,0,1]=4 841 B10R1.17 CCSCc1cncnc1 62a_100015196519_100000210202 [0,1,0,0,0,1|1,0,1]=4 842 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [0,1,0,0,0,1|2,0,0]=4 843 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [0,1,0,0,0,1|2,0,0]=4 844 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [0,1,0,0,0,1|2,0,0]=4 845 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [0,1,0,0,0,1|2,0,0]=4 846 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [0,1,0,0,0,1|2,0,0]=4 847 B10R1.17 CNCCc1ccccn1 2230a_106832991635_100015183660 [0,1,0,0,0,1|1,0,1]=4 848 B10R1.17 CNCCc1ccccn1 7a_106832991635_100015183660 [0,1,0,0,0,1|1,0,1]=4 849 B10R1.17 CNCCc1cccnc1 2230a_100000736294_200000210301 [0,1,0,0,0,1|1,0,0]=3 850 B10R1.17 CNCCc1cccnc1 2230a_106832991635_200011713674 [0,1,0,0,0,1|1,0,0]=3 851 B10R1.17 CNCCc1cccnc1 7a_106832991635_200011713674 [0,1,0,0,0,1|1,0,0]=3 852 B10R1.17 CNCCc1ccncc1 2230a_106832991635_100000723409 [0,1,0,0,0,1|1,0,0]=3 853 B10R1.17 CNCCc1ccncc1 7a_106832991635_100000723409 [0,1,0,0,0,1|1,0,0]=3 854 B10R1.17 COCCc1cccnc1 34a_100011217484_200000210301 [0,1,0,0,0,1|2,0,0]=4 855 B10R1.17 COCCc1ccncc1 34a_100011216225_200000210301 [0,1,0,0,0,1|2,0,0]=4 856 B10R1.17 COCCc1cnccn1 34a_100011349526_200000210301 [0,1,0,0,0,1|1,0,1]=4 857 B10R1.17 COCCc1cncnc1 34a_100011709255_200000210301 [0,1,0,0,0,1|1,0,1]=4 858 B10R1.17 CSCCc1cccnc1 62a_200000210301_200011713674 [0,1,0,0,0,1|2,0,0]=4 859 B10R1.17 CSCCc1cccnc1 62a_200011713674_200000210301 [0,1,0,0,0,1|2,0,0]=4 860 B10R1.17 CSCCc1ccncc1 62a_100000723409_200000210301 [0,1,0,0,0,1|2,0,0]=4 861 B10R1.17 CSCCc1ccncc1 62a_200000210301_100000723409 [0,1,0,0,0,1|2,0,0]=4 862 B10R1.17 FCCOc1cccnc1 34a_100000210849_100011217306 [0,1,0,0,0,1|2,0,0]=4 863 B10R1.17 FCCOc1cccnc1 7a_100000210849_100011217306 [0,1,0,0,0,1|2,0,0]=4 864 B10R1.17 FCCOc1ccncc1 34a_100000212176_100011217306 [0,1,0,0,0,1|2,0,0]=4 865 B10R1.17 FCCOc1ccnnc1 34a_100015204005_100011217306 [0,1,0,0,0,1|2,0,0]=4 866 B10R1.17 FCCOc1cncnc1 7a_100000754086_100011217306 [0,1,0,0,0,1|1,0,1]=4 867 B10R1.17 FCCSc1cccnc1 62a_100000210063_100011217306 [0,1,0,0,0,1|2,0,0]=4 868 B10R1.17 FCCSc1cccnc1 62a_100011217306_100000210063 [0,1,0,0,0,1|2,0,0]=4 869 B10R1.17 FCCSc1ccncc1 62a_100000728582_100011217306 [0,1,0,0,0,1|2,0,0]=4 870 B10R1.17 FCCSc1ccncc1 62a_100011217306_100000728582 [0,1,0,0,0,1|2,0,0]=4 871 B10R1.17 FCCSc1ccncn1 62a_100000703185_100011217306 [0,1,0,0,0,1|1,0,1]=4 872 B10R1.17 FCCSc1ccncn1 62a_100011217306_100000703185 [0,1,0,0,0,1|1,0,1]=4 873 B10R1.17 FCCSc1ccnnc1 62a_100000732662_100011217306 [0,1,0,0,0,1|2,0,0]=4 874 B10R1.17 FCCSc1ccnnc1 62a_100011217306_100000732662 [0,1,0,0,0,1|2,0,0]=4 875 B10R1.17 FCCSc1cnccn1 62a_100000211759_100011217306 [0,1,0,0,0,1|1,0,1]=4 876 B10R1.17 FCCSc1cnccn1 62a_100011217306_100000211759 [0,1,0,0,0,1|1,0,1]=4 877 B10R1.17 FCCSc1cncnc1 62a_100011206942_100011217306 [0,1,0,0,0,1|1,0,1]=4 878 B10R1.17 FCCSc1cncnc1 62a_100011217306_100011206942 [0,1,0,0,0,1|1,0,1]=4 879 B10R1.17 FCSCc1cccnc1 62a_100000741622_100015361967 [0,1,0,0,0,1|2,0,0]=4 880 B10R1.17 FCSCc1cccnc1 62a_100015361967_100000741622 [0,1,0,0,0,1|2,0,0]=4 881 B10R1.17 FCSCc1ccncc1 62a_100015193705_100015361967 [0,1,0,0,0,1|2,0,0]=4 882 B10R1.17 FCSCc1ccncc1 62a_100015361967_100015193705 [0,1,0,0,0,1|2,0,0]=4 883 B10R1.17 FCSCc1cnccn1 62a_100015361967_100016995436 [0,1,0,0,0,1|1,0,1]=4 884 B10R1.17 FCSCc1cnccn1 62a_100016995436_100015361967 [0,1,0,0,0,1|1,0,1]=4 885 B10R1.17 FCSCc1cncnc1 62a_100015196519_100015361967 [0,1,0,0,0,1|1,0,1]=4 886 B10R1.17 FCSCc1cncnc1 62a_100015361967_100015196519 [0,1,0,0,0,1|1,0,1]=4 887 B10R1.17 OCCNc1ccncn1 27a_100000210304_100000703185 [0,1,0,0,0,1|1,0,1]=4 888 B10R1.17 OCCNc1cnccn1 27a_100000210304_100000211759 [0,1,0,0,0,1|1,0,1]=4 889 B10R1.17 OCCOc1cccnc1 34a_100000210849_100000211926 [0,1,0,0,0,1|2,0,0]=4 890 B10R1.17 OCCOc1cccnc1 7a_100000210849_100000211926 [0,1,0,0,0,1|2,0,0]=4 891 B10R1.17 OCCOc1ccncc1 34a_100000212176_100000211926 [0,1,0,0,0,1|2,0,0]=4 892 B10R1.17 OCCOc1ccnnc1 34a_100015204005_100000211926 [0,1,0,0,0,1|2,0,0]=4 893 B10R1.17 OCCOc1cncnc1 7a_100000754086_100000211926 [0,1,0,0,0,1|1,0,1]=4 894 B10R1.17 OCCSc1cccnc1 62a_100000210063_100000211926 [0,1,0,0,0,1|2,0,0]=4 895 B10R1.17 OCCSc1cccnc1 62a_100000211926_100000210063 [0,1,0,0,0,1|2,0,0]=4 896 B10R1.17 OCCSc1ccncc1 62a_100000211926_100000728582 [0,1,0,0,0,1|2,0,0]=4 897 B10R1.17 OCCSc1ccncc1 62a_100000728582_100000211926 [0,1,0,0,0,1|2,0,0]=4 898 B10R1.17 OCCSc1ccncn1 62a_100000211926_100000703185 [0,1,0,0,0,1|1,0,1]=4 899 B10R1.17 OCCSc1ccncn1 62a_100000703185_100000211926 [0,1,0,0,0,1|1,0,1]=4 900 B10R1.17 OCCSc1ccnnc1 62a_100000211926_100000732662 [0,1,0,0,0,1|2,0,0]=4 901 B10R1.17 OCCSc1ccnnc1 62a_100000732662_100000211926 [0,1,0,0,0,1|2,0,0]=4 902 B10R1.17 OCCSc1cnccn1 62a_100000211759_100000211926 [0,1,0,0,0,1|1,0,1]=4 903 B10R1.17 OCCSc1cnccn1 62a_100000211926_100000211759 [0,1,0,0,0,1|1,0,1]=4 904 B10R1.17 OCCSc1cncnc1 62a_100000211926_100011206942 [0,1,0,0,0,1|1,0,1]=4 905 B10R1.17 OCCSc1cncnc1 62a_100011206942_100000211926 [0,1,0,0,0,1|1,0,1]=4 906 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [0,1,0,0,0,1|2,0,0]=4 907 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [0,1,0,0,0,1|2,0,0]=4 908 B10R1.17 [13CH3]NCCc1cccnc1 2230a_100000736294_200025704644 [0,1,0,0,0,1|1,0,0]=3 909 B10R1.17 [13CH3]OCCc1cccnc1 34a_100011217484_200025704644 [0,1,0,0,0,1|2,0,0]=4 910 B10R1.17 [13CH3]OCCc1ccncc1 34a_100011216225_200025704644 [0,1,0,0,0,1|2,0,0]=4 911 B10R1.17 [13CH3]OCCc1cnccn1 34a_100011349526_200025704644 [0,1,0,0,0,1|1,0,1]=4 912 B10R1.17 [13CH3]OCCc1cncnc1 34a_100011709255_200025704644 [0,1,0,0,0,1|1,0,1]=4 913 B10R1.17 [13CH3]SCCc1cccnc1 62a_200011713674_200025704644 [0,1,0,0,0,1|2,0,0]=4 914 B10R1.17 [13CH3]SCCc1cccnc1 62a_200025704644_200011713674 [0,1,0,0,0,1|2,0,0]=4 915 B10R1.17 [13CH3]SCCc1ccncc1 62a_100000723409_200025704644 [0,1,0,0,0,1|2,0,0]=4 916 B10R1.17 [13CH3]SCCc1ccncc1 62a_200025704644_100000723409 [0,1,0,0,0,1|2,0,0]=4 917 B10R1.16 CCCCc1cnc(s1)C 271570a_100020621405_100000764884 [0,2,0,0,0,0|2,0,0]=4 918 B10R1.16 CCCSc1cnc(s1)Br 62a_100000210303_100012357534 [0,2,0,0,0,0|2,0,0]=4 919 B10R1.16 CCCSc1cnc(s1)Br 62a_100012357534_100000210303 [0,2,0,0,0,0|2,0,0]=4 920 B10R1.16 CCCSc1cnc(s1)C 62a_100000210303_100000764884 [0,2,0,0,0,0|2,0,0]=4 921 B10R1.16 CCCSc1cnc(s1)C 62a_100000764884_100000210303 [0,2,0,0,0,0|2,0,0]=4 922 B10R1.16 CCCSc1cnc(s1)N 62a_100000210303_100000718969 [0,2,0,0,0,0|2,0,0]=4 923 B10R1.16 CCCSc1cnc(s1)N 62a_100000718969_100000210303 [0,2,0,0,0,0|2,0,0]=4 924 B10R1.16 CCNCc1cc(c[nH]1)Br 270004a_100015525214_100000720742 [0,2,0,0,0,0|2,0,0]=4 925 B10R1.16 CCNCc1cnc(o1)C 207a_100015525214_100000084308 [0,2,0,0,0,0|2,0,0]=4 926 B10R1.16 CCNCc1cnc(o1)C 270004a_100015525214_100000084308 [0,2,0,0,0,0|2,0,0]=4 927 B10R1.16 CCNCc1cnc(s1)Br 2230a_100000726991_100000210202 [0,2,0,0,0,0|2,0,0]=4 928 B10R1.16 CCNCc1cnc(s1)Br 2230a_100015525214_100000717027 [0,2,0,0,0,0|2,0,0]=4 929 B10R1.16 CCNCc1cnc(s1)Br 270004a_100015525214_100009814069 [0,2,0,0,0,0|2,0,0]=4 930 B10R1.16 CCNCc1cnc(s1)C 207a_100015525214_100000740557 [0,2,0,0,0,0|2,0,0]=4 931 B10R1.16 CCNCc1cnc(s1)C 2230a_100015525214_100020635045 [0,2,0,0,0,0|2,0,0]=4 932 B10R1.16 CCNCc1cnc(s1)C 2230a_200000743601_100000210202 [0,2,0,0,0,0|2,0,0]=4 933 B10R1.16 CCNCc1cnc(s1)C 270004a_100015525214_100000740557 [0,2,0,0,0,0|2,0,0]=4 934 B10R1.16 CCNCc1cnc(s1)Cl 2230a_100000726635_100000210202 [0,2,0,0,0,0|2,0,0]=4 935 B10R1.16 CCNCc1cnc(s1)Cl 2230a_100015525214_100000058068 [0,2,0,0,0,0|2,0,0]=4 936 B10R1.16 CCNCc1cnc(s1)Cl 270004a_100015525214_100000696999 [0,2,0,0,0,0|2,0,0]=4 937 B10R1.16 CCOCc1cnc(s1)Br 34a_100121572206_100000717027 [0,2,0,0,0,0|2,0,0]=4 938 B10R1.16 CCOCc1cnc(s1)Br 7a_100009816753_100000210202 [0,2,0,0,0,0|2,0,0]=4 939 B10R1.16 CCOCc1cnc(s1)C 34a_100121572206_100020635045 [0,2,0,0,0,0|2,0,0]=4 940 B10R1.16 CCOCc1cnc(s1)C 7a_100000743366_100000210202 [0,2,0,0,0,0|2,0,0]=4 941 B10R1.16 CCOCc1cnc(s1)Cl 34a_100121572206_100000058068 [0,2,0,0,0,0|2,0,0]=4 942 B10R1.16 CCOCc1cnc(s1)Cl 7a_100000697714_100000210202 [0,2,0,0,0,0|2,0,0]=4 943 B10R1.16 CCOCc1cnc(s1)N 7a_100011997359_100000210202 [0,2,0,0,0,0|2,0,0]=4 944 B10R1.16 CCSCc1cnc(s1)Br 62a_100000210202_100000717027 [0,2,0,0,0,0|2,0,0]=4 945 B10R1.16 CCSCc1cnc(s1)Br 62a_100000717027_100000210202 [0,2,0,0,0,0|2,0,0]=4 946 B10R1.16 CCSCc1cnc(s1)C 62a_100000210202_100020635045 [0,2,0,0,0,0|2,0,0]=4 947 B10R1.16 CCSCc1cnc(s1)C 62a_100020635045_100000210202 [0,2,0,0,0,0|2,0,0]=4 948 B10R1.16 CCSCc1cnc(s1)Cl 62a_100000058068_100000210202 [0,2,0,0,0,0|2,0,0]=4 949 B10R1.16 CCSCc1cnc(s1)Cl 62a_100000210202_100000058068 [0,2,0,0,0,0|2,0,0]=4 950 B10R1.16 CNCCc1ccc(o1)C 2230a_100000739271_200000210301 [0,2,0,0,0,0|2,0,0]=4 951 B10R1.16 CNCCc1ccc(o1)C 34a_100000739271_200000210301 [0,2,0,0,0,0|2,0,0]=4 952 B10R1.16 CNCCc1ccc(s1)Br 2230a_100000217605_200000210301 [0,2,0,0,0,0|2,0,0]=4 953 B10R1.16 CNCCc1csc(n1)C 2230a_102495365028_200000210301 [0,2,0,0,0,0|1,0,1]=4 954 B10R1.16 CNCCc1csc(n1)C 2230a_106832991635_100000695623 [0,2,0,0,0,0|1,0,1]=4 955 B10R1.16 CNCCc1csc(n1)C 34a_100102657272_100000695623 [0,2,0,0,0,0|1,0,1]=4 956 B10R1.16 CNCCc1csc(n1)C 34a_102495365028_200000210301 [0,2,0,0,0,0|1,0,1]=4 957 B10R1.16 CNCCc1csc(n1)C 7a_106832991635_100000695623 [0,2,0,0,0,0|1,0,1]=4 958 B10R1.16 CNCCc1nc(no1)C 34a_100000747544_200000210301 [0,2,0,0,0,0|1,0,1]=4 959 B10R1.16 CNCCc1nnc(s1)C 2230a_100000733084_200000210301 [0,2,0,0,0,0|2,0,0]=4 960 B10R1.16 COCCc1cnc(s1)N 7a_100000124125_200000210301 [0,2,0,0,0,0|2,0,0]=4 961 B10R1.16 Cc1ccc(o1)CCN[13CH3] 2230a_100000739271_200025704644 [0,2,0,0,0,0|2,0,0]=4 962 B10R1.16 Cc1ccc(o1)CCN[13CH3] 34a_100000739271_200025704644 [0,2,0,0,0,0|2,0,0]=4 963 B10R1.16 Cc1nc(cs1)CCN[13CH3] 2230a_102495365028_200025704644 [0,2,0,0,0,0|1,0,1]=4 964 B10R1.16 Cc1nc(cs1)CCN[13CH3] 34a_102495365028_200025704644 [0,2,0,0,0,0|1,0,1]=4 965 B10R1.16 Cc1ncc(s1)COCF 7a_100000743366_100015361967 [0,2,0,0,0,0|2,0,0]=4 966 B10R1.16 Cc1ncc(s1)CSCF 62a_100015361967_100020635045 [0,2,0,0,0,0|2,0,0]=4 967 B10R1.16 Cc1ncc(s1)CSCF 62a_100020635045_100015361967 [0,2,0,0,0,0|2,0,0]=4 968 B10R1.16 Cc1ncc(s1)SCCF 62a_100000764884_100011217306 [0,2,0,0,0,0|2,0,0]=4 969 B10R1.16 Cc1ncc(s1)SCCF 62a_100011217306_100000764884 [0,2,0,0,0,0|2,0,0]=4 970 B10R1.16 Cc1ncc(s1)SCCO 62a_100000211926_100000764884 [0,2,0,0,0,0|2,0,0]=4 971 B10R1.16 Cc1ncc(s1)SCCO 62a_100000764884_100000211926 [0,2,0,0,0,0|2,0,0]=4 972 B10R1.16 Cc1nnc(s1)CCN[13CH3] 2230a_100000733084_200025704644 [0,2,0,0,0,0|2,0,0]=4 973 B10R1.16 Cc1noc(n1)CCN[13CH3] 34a_100000747544_200025704644 [0,2,0,0,0,0|1,0,1]=4 974 B10R1.16 FCCSc1cnc(s1)Br 62a_100011217306_100012357534 [0,2,0,0,0,0|2,0,0]=4 975 B10R1.16 FCCSc1cnc(s1)Br 62a_100012357534_100011217306 [0,2,0,0,0,0|2,0,0]=4 976 B10R1.16 FCOCc1cnc(s1)Br 7a_100009816753_100015361967 [0,2,0,0,0,0|2,0,0]=4 977 B10R1.16 FCOCc1cnc(s1)Cl 7a_100000697714_100015361967 [0,2,0,0,0,0|2,0,0]=4 978 B10R1.16 FCSCc1cnc(s1)Br 62a_100000717027_100015361967 [0,2,0,0,0,0|2,0,0]=4 979 B10R1.16 FCSCc1cnc(s1)Br 62a_100015361967_100000717027 [0,2,0,0,0,0|2,0,0]=4 980 B10R1.16 FCSCc1cnc(s1)Cl 62a_100000058068_100015361967 [0,2,0,0,0,0|2,0,0]=4 981 B10R1.16 FCSCc1cnc(s1)Cl 62a_100015361967_100000058068 [0,2,0,0,0,0|2,0,0]=4 982 B10R1.16 Nc1ncc(s1)COCF 7a_100011997359_100015361967 [0,2,0,0,0,0|2,0,0]=4 983 B10R1.16 Nc1ncc(s1)SCCF 62a_100000718969_100011217306 [0,2,0,0,0,0|2,0,0]=4 984 B10R1.16 Nc1ncc(s1)SCCF 62a_100011217306_100000718969 [0,2,0,0,0,0|2,0,0]=4 985 B10R1.16 Nc1ncc(s1)SCCO 62a_100000211926_100000718969 [0,2,0,0,0,0|2,0,0]=4 986 B10R1.16 Nc1ncc(s1)SCCO 62a_100000718969_100000211926 [0,2,0,0,0,0|2,0,0]=4 987 B10R1.16 OCCSc1cnc(s1)Br 62a_100000211926_100012357534 [0,2,0,0,0,0|2,0,0]=4 988 B10R1.16 OCCSc1cnc(s1)Br 62a_100012357534_100000211926 [0,2,0,0,0,0|2,0,0]=4 989 B10R1.16 [13CH3]NCCc1ccc(s1)Br 2230a_100000217605_200025704644 [0,2,0,0,0,0|2,0,0]=4 990 B10R1.16 [13CH3]OCCc1cnc(s1)N 7a_100000124125_200025704644 [0,2,0,0,0,0|2,0,0]=4 991 B10R1.94 CCSc1cnc(n1C)C 62a_100000210202_100000762843 [0,2,0,0,0,0|2,0,0]=4 992 B10R1.94 CCSc1cnc(n1C)C 62a_100000762843_100000210202 [0,2,0,0,0,0|2,0,0]=4 993 B10R1.94 CNCc1cnc(n1C)C 207a_100102657272_100011361570 [0,2,0,0,0,0|2,0,0]=4 994 B10R1.94 CNCc1cnc(n1C)C 270004a_106832991635_100011361570 [0,2,0,0,0,0|2,0,0]=4 995 B10R1.94 Cc1ncc(n1C)SCF 62a_100000762843_100015361967 [0,2,0,0,0,0|2,0,0]=4 996 B10R1.94 Cc1ncc(n1C)SCF 62a_100015361967_100000762843 [0,2,0,0,0,0|2,0,0]=4 997 B10R1.96 CSc1ccc(s1)CCN 62a_100000217605_200000210301 [0,2,0,0,0,0|2,0,0]=4 998 B10R1.96 CSc1ccc(s1)CCN 62a_200000210301_100000217605 [0,2,0,0,0,0|2,0,0]=4 999 B10R1.96 [13CH3]Sc1ccc(s1)CCN 62a_100000217605_200025704644 [0,2,0,0,0,0|2,0,0]=4 1000 B10R1.96 [13CH3]Sc1ccc(s1)CCN 62a_200025704644_100000217605 [0,2,0,0,0,0|2,0,0]=4 1001 B10R1.9 CCC(NC)c1ccc[nH]1 269862a_106832991636_200000242565 [0,2,0,0,0,0|2,0,0]=4 1002 B10R1.9 COC(CN)c1ccco1 34a_100000738650_200000210301 [0,2,0,0,0,0|2,0,0]=4 1003 B10R1.9 COC(CN)c1ccsc1 34a_100000758718_200000210301 [0,2,0,0,0,0|2,0,0]=4 1004 B10R1.9 [13CH3]OC(CN)c1ccco1 34a_100000738650_200025704644 [0,2,0,0,0,0|2,0,0]=4 1005 B10R1.9 [13CH3]OC(CN)c1ccsc1 34a_100000758718_200025704644 [0,2,0,0,0,0|2,0,0]=4 1006 B10R1.11 CCNC(C)c1ccc[nH]1 269862a_100015525214_100000183661 [0,2,0,0,0,0|2,0,0]=4 1007 B10R1.11 CNCC(=O)c1ccc[nH]1 7a_106832991635_200011262396 [0,2,0,0,0,0|1,0,1]=4 1008 B10R1.11 CNCC(C)n1cncn1 2230a_106832991635_200015185000 [0,2,0,0,0,0|1,0,1]=4 1009 B10R1.11 CNCC(C)n1cncn1 34a_100102657272_200015185000 [0,2,0,0,0,0|1,0,1]=4 1010 B10R1.11 CNCC(C)n1cncn1 7a_106832991635_200015185000 [0,2,0,0,0,0|1,0,1]=4 1011 B10R1.11 CNCC(O)c1ccco1 2230a_100000738650_200000210301 [0,2,0,0,0,0|2,0,0]=4 1012 B10R1.11 CNCC(O)c1ccsc1 2230a_100000758718_200000210301 [0,2,0,0,0,0|2,0,0]=4 1013 B10R1.11 CNCC(O)c1ccsc1 34a_100000758718_200000210301 [0,2,0,0,0,0|2,0,0]=4 1014 B10R1.11 [13CH3]NCC(O)c1ccco1 2230a_100000738650_200025704644 [0,2,0,0,0,0|2,0,0]=4 1015 B10R1.11 [13CH3]NCC(O)c1ccsc1 2230a_100000758718_200025704644 [0,2,0,0,0,0|2,0,0]=4 1016 B10R1.11 [13CH3]NCC(O)c1ccsc1 34a_100000758718_200025704644 [0,2,0,0,0,0|2,0,0]=4 1017 B10R1.149 CNC(C)c1cncn1C 269862a_106832991636_100000719141 [0,2,0,0,0,0|2,0,0]=4 1018 B10R1.21 BrCCOCc1cncs1 34a_100000211926_100015185245 [0,2,0,0,0,0|2,0,0]=4 1019 B10R1.21 C#CCCSc1cnco1 62a_100000688953_100020591547 [0,2,0,0,0,0|2,0,0]=4 1020 B10R1.21 C#CCCSc1cnco1 62a_100020591547_100000688953 [0,2,0,0,0,0|2,0,0]=4 1021 B10R1.21 C#CCCSc1cncs1 62a_100000688953_100011934649 [0,2,0,0,0,0|2,0,0]=4 1022 B10R1.21 C#CCCSc1cncs1 62a_100011934649_100000688953 [0,2,0,0,0,0|2,0,0]=4 1023 B10R1.21 C#CCNCc1cncs1 2230a_100016987365_100000038162 [0,2,0,0,0,0|2,0,0]=4 1024 B10R1.21 C#CCNCc1cncs1 34a_100000212058_100015185245 [0,2,0,0,0,0|2,0,0]=4 1025 B10R1.21 C#CCNCc1nnc[nH]1 2230a_200015183720_100000038162 [0,2,0,0,0,0|2,0,0]=4 1026 B10R1.21 C#CCOCc1cncs1 34a_100000210247_100015185245 [0,2,0,0,0,0|2,0,0]=4 1027 B10R1.21 C#CCSCc1cncs1 62a_100000038162_100015185245 [0,2,0,0,0,0|2,0,0]=4 1028 B10R1.21 C=CCCSc1cnco1 62a_100000754431_100020591547 [0,2,0,0,0,0|2,0,0]=4 1029 B10R1.21 C=CCCSc1cnco1 62a_100020591547_100000754431 [0,2,0,0,0,0|2,0,0]=4 1030 B10R1.21 C=CCCSc1cncs1 62a_100000754431_100011934649 [0,2,0,0,0,0|2,0,0]=4 1031 B10R1.21 C=CCCSc1cncs1 62a_100011934649_100000754431 [0,2,0,0,0,0|2,0,0]=4 1032 B10R1.21 C=CCNCc1cnco1 270004a_100020586998_100000064291 [0,2,0,0,0,0|2,0,0]=4 1033 B10R1.21 C=CCNCc1cncs1 2230a_100016987365_100000210623 [0,2,0,0,0,0|2,0,0]=4 1034 B10R1.21 C=CCNCc1cncs1 2230a_100020586998_100015185245 [0,2,0,0,0,0|2,0,0]=4 1035 B10R1.21 C=CCNCc1cncs1 270004a_100020586998_100000749870 [0,2,0,0,0,0|2,0,0]=4 1036 B10R1.21 C=CCNCc1nnc[nH]1 2230a_200015183720_100000210623 [0,2,0,0,0,0|2,0,0]=4 1037 B10R1.21 C=CCOCc1cncs1 34a_200000210373_100015185245 [0,2,0,0,0,0|2,0,0]=4 1038 B10R1.21 C=CCSCc1cncs1 62a_100000210623_100015185245 [0,2,0,0,0,0|2,0,0]=4 1039 B10R1.21 C=CCSCc1cncs1 62a_100015185245_100000210623 [0,2,0,0,0,0|2,0,0]=4 1040 B10R1.21 CCCC=Cc1cnco1 271570a_100016258520_100020591547 [0,2,0,0,0,0|2,0,0]=4 1041 B10R1.21 CCCC=Cc1cncs1 271570a_100016258520_100011934649 [0,2,0,0,0,0|2,0,0]=4 1042 B10R1.21 CCCCSc1cnco1 62a_100000210211_100020591547 [0,2,0,0,0,0|2,0,0]=4 1043 B10R1.21 CCCCSc1cnco1 62a_100020591547_100000210210 [0,2,0,0,0,0|2,0,0]=4 1044 B10R1.21 CCCCSc1cncs1 62a_100000210211_100011934649 [0,2,0,0,0,0|2,0,0]=4 1045 B10R1.21 CCCCSc1cncs1 62a_100011934649_100000210210 [0,2,0,0,0,0|2,0,0]=4 1046 B10R1.21 CCCNCc1cnc[nH]1 207a_100020643023_100000742939 [0,2,0,0,0,0|1,0,0]=3 1047 B10R1.21 CCCNCc1cnco1 270004a_100020643023_100000064291 [0,2,0,0,0,0|2,0,0]=4 1048 B10R1.21 CCCNCc1cncs1 207a_100020643023_100000749870 [0,2,0,0,0,0|2,0,0]=4 1049 B10R1.21 CCCNCc1cncs1 2230a_100016987365_100000210303 [0,2,0,0,0,0|2,0,0]=4 1050 B10R1.21 CCCNCc1cncs1 270004a_100020643023_100000749870 [0,2,0,0,0,0|2,0,0]=4 1051 B10R1.21 CCCNCc1nnc[nH]1 2230a_200015183720_100000210303 [0,2,0,0,0,0|2,0,0]=4 1052 B10R1.21 CCCOCc1cncs1 34a_100000210258_100015185245 [0,2,0,0,0,0|2,0,0]=4 1053 B10R1.21 CCCSCc1cncs1 62a_100000210303_100015185245 [0,2,0,0,0,0|2,0,0]=4 1054 B10R1.21 CCCSCc1cncs1 62a_100015185245_100000210303 [0,2,0,0,0,0|2,0,0]=4 1055 B10R1.21 CCNCCc1c[nH]cn1 2230a_100015525214_100020628418 [0,2,0,0,0,0|0,0,2]=4 1056 B10R1.21 CCNCCc1ccco1 2230a_100000694680_100000210202 [0,2,0,0,0,0|2,0,0]=4 1057 B10R1.21 CCNCCc1ccco1 34a_100000694680_100000210202 [0,2,0,0,0,0|2,0,0]=4 1058 B10R1.21 CCNCCc1cccs1 2230a_100000203755_100000210202 [0,2,0,0,0,0|2,0,0]=4 1059 B10R1.21 CCNCCc1cccs1 2230a_100015525214_100000748579 [0,2,0,0,0,0|2,0,0]=4 1060 B10R1.21 CCNCCc1cccs1 34a_100000203755_100000210202 [0,2,0,0,0,0|2,0,0]=4 1061 B10R1.21 CCNCCc1ccsc1 2230a_100000692642_100000210202 [0,2,0,0,0,0|2,0,0]=4 1062 B10R1.21 CCNCCc1ccsc1 34a_100000692642_100000210202 [0,2,0,0,0,0|2,0,0]=4 1063 B10R1.21 CCNCCc1cn[nH]c1 2230a_100000732747_100000210202 [0,2,0,0,0,0|2,0,0]=4 1064 B10R1.21 CCNCCc1cn[nH]c1 2230a_100015525214_100000743252 [0,2,0,0,0,0|2,0,0]=4 1065 B10R1.21 CCNCCc1cncs1 2230a_100016991637_100000210202 [0,2,0,0,0,0|1,0,0]=3 1066 B10R1.21 CCNCCn1cncn1 2230a_100015525214_100000731791 [0,2,0,0,0,0|1,0,1]=4 1067 B10R1.21 CCNCCn1cncn1 2230a_200000738561_100000210202 [0,2,0,0,0,0|1,0,1]=4 1068 B10R1.21 CCNN=Cc1cnc[nH]1 4a_100000756455_100000742939 [0,2,0,0,0,0|1,0,1]=4 1069 B10R1.21 CCOCSc1cnco1 62a_100000739092_100020591547 [0,2,0,0,0,0|2,0,0]=4 1070 B10R1.21 CCOCSc1cnco1 62a_100020591547_100000739092 [0,2,0,0,0,0|2,0,0]=4 1071 B10R1.21 CCOCSc1cncs1 62a_100000739092_100011934649 [0,2,0,0,0,0|2,0,0]=4 1072 B10R1.21 CCOCSc1cncs1 62a_100011934649_100000739092 [0,2,0,0,0,0|2,0,0]=4 1073 B10R1.21 CNCCCc1cccs1 2230a_106832991635_100010992444 [0,2,0,0,0,0|2,0,0]=4 1074 B10R1.21 CNCCCc1cccs1 34a_100102657272_100010992444 [0,2,0,0,0,0|2,0,0]=4 1075 B10R1.21 CNCCCc1cccs1 7a_106832991635_100010992444 [0,2,0,0,0,0|2,0,0]=4 1076 B10R1.21 CNCCCn1ccnc1 2230a_106832991635_100000756272 [0,2,0,0,0,0|2,0,0]=4 1077 B10R1.21 CNCCCn1ccnc1 34a_100102657272_100000756272 [0,2,0,0,0,0|2,0,0]=4 1078 B10R1.21 CNCCCn1ccnc1 7a_106832991635_100000756272 [0,2,0,0,0,0|2,0,0]=4 1079 B10R1.21 CNCCCn1cncn1 2230a_106832991635_100102700105 [0,2,0,0,0,0|1,0,1]=4 1080 B10R1.21 CNCCCn1cncn1 34a_100102657272_100102700105 [0,2,0,0,0,0|1,0,1]=4 1081 B10R1.21 CNCCCn1cncn1 7a_106832991635_100102700105 [0,2,0,0,0,0|1,0,1]=4 1082 B10R1.21 COCCSc1cnco1 62a_100000233755_100020591547 [0,2,0,0,0,0|2,0,0]=4 1083 B10R1.21 COCCSc1cnco1 62a_100020591547_100000233755 [0,2,0,0,0,0|2,0,0]=4 1084 B10R1.21 COCCSc1cncs1 62a_100000233755_100011934649 [0,2,0,0,0,0|2,0,0]=4 1085 B10R1.21 COCCSc1cncs1 62a_100011934649_100000233755 [0,2,0,0,0,0|2,0,0]=4 1086 B10R1.21 COCNCc1cncs1 2230a_100016987365_100000766300 [0,2,0,0,0,0|2,0,0]=4 1087 B10R1.21 COCNCc1nnc[nH]1 2230a_200015183720_100000766300 [0,2,0,0,0,0|2,0,0]=4 1088 B10R1.21 COCSCc1cncs1 62a_100000766300_100015185245 [0,2,0,0,0,0|2,0,0]=4 1089 B10R1.21 COCSCc1cncs1 62a_100015185245_100000766300 [0,2,0,0,0,0|2,0,0]=4 1090 B10R1.21 CSCCSc1cnco1 62a_100000212216_100020591547 [0,2,0,0,0,0|2,0,0]=4 1091 B10R1.21 CSCCSc1cnco1 62a_100020591547_100000751147 [0,2,0,0,0,0|2,0,0]=4 1092 B10R1.21 CSCCSc1cncs1 62a_100000212216_100011934649 [0,2,0,0,0,0|2,0,0]=4 1093 B10R1.21 CSCCSc1cncs1 62a_100011934649_100000751147 [0,2,0,0,0,0|2,0,0]=4 1094 B10R1.21 CSCNCc1cncs1 2230a_100016987365_100011218213 [0,2,0,0,0,0|2,0,0]=4 1095 B10R1.21 CSCNCc1nnc[nH]1 2230a_200015183720_100011218213 [0,2,0,0,0,0|2,0,0]=4 1096 B10R1.21 CSCSCc1cncs1 62a_100011218213_100015185245 [0,2,0,0,0,0|2,0,0]=4 1097 B10R1.21 CSCSCc1cncs1 62a_100015185245_100011218213 [0,2,0,0,0,0|2,0,0]=4 1098 B10R1.21 FCCCSc1cnco1 62a_100011934791_100020591547 [0,2,0,0,0,0|2,0,0]=4 1099 B10R1.21 FCCCSc1cnco1 62a_100020591547_100011934791 [0,2,0,0,0,0|2,0,0]=4 1100 B10R1.21 FCCCSc1cncs1 62a_100011934649_100011934791 [0,2,0,0,0,0|2,0,0]=4 1101 B10R1.21 FCCCSc1cncs1 62a_100011934791_100011934649 [0,2,0,0,0,0|2,0,0]=4 1102 B10R1.21 FCCNCc1cncs1 2230a_100016987365_100011217306 [0,2,0,0,0,0|2,0,0]=4 1103 B10R1.21 FCCNCc1cncs1 34a_100000724931_100015185245 [0,2,0,0,0,0|2,0,0]=4 1104 B10R1.21 FCCNCc1nnc[nH]1 2230a_200015183720_100011217306 [0,2,0,0,0,0|2,0,0]=4 1105 B10R1.21 FCCSCc1cncs1 62a_100011217306_100015185245 [0,2,0,0,0,0|2,0,0]=4 1106 B10R1.21 FCCSCc1cncs1 62a_100015185245_100011217306 [0,2,0,0,0,0|2,0,0]=4 1107 B10R1.21 FCNCCc1ccco1 34a_100000694680_100015361967 [0,2,0,0,0,0|2,0,0]=4 1108 B10R1.21 FCNCCc1cccs1 34a_100000203755_100015361967 [0,2,0,0,0,0|2,0,0]=4 1109 B10R1.21 FCNCCc1ccsc1 34a_100000692642_100015361967 [0,2,0,0,0,0|2,0,0]=4 1110 B10R1.21 N#CCCSc1cnco1 62a_100011215226_100020591547 [0,2,0,0,0,0|1,0,1]=4 1111 B10R1.21 N#CCCSc1cnco1 62a_100020591547_100011215226 [0,2,0,0,0,0|1,0,1]=4 1112 B10R1.21 N#CCCSc1cncs1 62a_100011215226_100011934649 [0,2,0,0,0,0|1,0,1]=4 1113 B10R1.21 N#CCCSc1cncs1 62a_100011934649_100011215226 [0,2,0,0,0,0|1,0,1]=4 1114 B10R1.21 N#CCNCc1cncs1 2230a_100016987365_100011215382 [0,2,0,0,0,0|1,0,1]=4 1115 B10R1.21 N#CCNCc1nnc[nH]1 2230a_200015183720_100011215382 [0,2,0,0,0,0|1,0,1]=4 1116 B10R1.21 N#CCSCc1cncs1 62a_100011215382_100015185245 [0,2,0,0,0,0|1,0,1]=4 1117 B10R1.21 N#CCSCc1cncs1 62a_100015185245_100011215382 [0,2,0,0,0,0|1,0,1]=4 1118 B10R1.21 NCCOCc1c[nH]cn1 34a_100000210304_100000707719 [0,2,0,0,0,0|0,0,2]=4 1119 B10R1.21 NCCOCc1ccn[nH]1 34a_100000210304_100000728653 [0,2,0,0,0,0|2,0,0]=4 1120 B10R1.21 NCCOCc1ccsc1 34a_100000210304_100011261437 [0,2,0,0,0,0|2,0,0]=4 1121 B10R1.21 NCCOCc1cncs1 34a_100000210304_100015185245 [0,2,0,0,0,0|1,0,0]=3 1122 B10R1.21 NCCOCc1cscn1 34a_100000210304_100000205941 [0,2,0,0,0,0|1,0,1]=4 1123 B10R1.21 NCCOCc1ncc[nH]1 34a_100000210304_100016991755 [0,2,0,0,0,0|2,0,0]=4 1124 B10R1.21 NCCOCc1nnn[nH]1 34a_100000210304_100000765167 [0,2,0,0,0,0|2,0,0]=4 1125 B10R1.21 NCCOCn1cncn1 34a_100000210304_200020645497 [0,2,0,0,0,0|1,0,1]=4 1126 B10R1.21 O=CCNCc1cncs1 2230a_100016987365_200015260668 [0,2,0,0,0,0|2,0,0]=4 1127 B10R1.21 O=CCNCc1nnc[nH]1 2230a_200015183720_200015260668 [0,2,0,0,0,0|2,0,0]=4 1128 B10R1.21 O=CCSCc1cncs1 62a_100015185245_200015260668 [0,2,0,0,0,0|2,0,0]=4 1129 B10R1.21 O=CCSCc1cncs1 62a_200015260668_100015185245 [0,2,0,0,0,0|2,0,0]=4 1130 B10R1.21 OCCCSc1cnco1 62a_100011215043_100020591547 [0,2,0,0,0,0|2,0,0]=4 1131 B10R1.21 OCCCSc1cnco1 62a_100020591547_100011215043 [0,2,0,0,0,0|2,0,0]=4 1132 B10R1.21 OCCCSc1cncs1 62a_100011215043_100011934649 [0,2,0,0,0,0|2,0,0]=4 1133 B10R1.21 OCCCSc1cncs1 62a_100011934649_100011215043 [0,2,0,0,0,0|2,0,0]=4 1134 B10R1.21 OCCNCc1cnc[nH]1 207a_100000210304_100000742939 [0,2,0,0,0,0|1,0,0]=3 1135 B10R1.21 OCCNCc1cnco1 270004a_100000210304_100000064291 [0,2,0,0,0,0|2,0,0]=4 1136 B10R1.21 OCCNCc1cncs1 207a_100000210304_100000749870 [0,2,0,0,0,0|2,0,0]=4 1137 B10R1.21 OCCNCc1cncs1 2230a_100016987365_100000211926 [0,2,0,0,0,0|2,0,0]=4 1138 B10R1.21 OCCNCc1cncs1 2230a_100016997473_100015185245 [0,2,0,0,0,0|2,0,0]=4 1139 B10R1.21 OCCNCc1cncs1 270004a_100000210304_100000749870 [0,2,0,0,0,0|2,0,0]=4 1140 B10R1.21 OCCNCc1cncs1 34a_100016990907_100015185245 [0,2,0,0,0,0|2,0,0]=4 1141 B10R1.21 OCCNCc1nnc[nH]1 2230a_200015183720_100000211926 [0,2,0,0,0,0|2,0,0]=4 1142 B10R1.21 OCCSCc1cncs1 62a_100000211926_100015185245 [0,2,0,0,0,0|2,0,0]=4 1143 B10R1.21 OCCSCc1cncs1 62a_100015185245_100000211926 [0,2,0,0,0,0|2,0,0]=4 1144 B10R1.27 CC(CO)Sc1cnco1 62a_100012180447_100020591547 [0,2,0,0,0,0|2,0,0]=4 1145 B10R1.27 CC(CO)Sc1cncs1 62a_100012180447_100011934649 [0,2,0,0,0,0|2,0,0]=4 1146 B10R1.27 CC(Cc1cccs1)N[13CH3] 2230a_100000751415_200025704644 [0,2,0,0,0,0|2,0,0]=4 1147 B10R1.27 CC(Cc1ccsc1)N[13CH3] 2230a_100000743546_200025704644 [0,2,0,0,0,0|2,0,0]=4 1148 B10R1.27 CC(Cc1ccsc1)N[13CH3] 34a_100000743546_200025704644 [0,2,0,0,0,0|2,0,0]=4 1149 B10R1.27 CC(Cn1cncn1)N[13CH3] 2230a_100011201177_200025704644 [0,2,0,0,0,0|1,0,1]=4 1150 B10R1.27 CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210202 [0,2,0,0,0,0|2,0,0]=4 1151 B10R1.27 CCC(=O)Cc1cncs1 1458a_100000210414_100015185245 [0,2,0,0,0,0|2,0,0]=4 1152 B10R1.27 CCC(C)Sc1cnco1 62a_100000758301_100020591547 [0,2,0,0,0,0|2,0,0]=4 1153 B10R1.27 CCC(C)Sc1cnco1 62a_100020591547_100000758301 [0,2,0,0,0,0|2,0,0]=4 1154 B10R1.27 CCC(C)Sc1cncs1 62a_100000758301_100011934649 [0,2,0,0,0,0|2,0,0]=4 1155 B10R1.27 CCC(C)Sc1cncs1 62a_100011934649_100000758301 [0,2,0,0,0,0|2,0,0]=4 1156 B10R1.27 CCN(C)Cc1cncs1 2230a_100000225621_100015185245 [0,2,0,0,0,0|2,0,0]=4 1157 B10R1.27 CCN(C)Cc1cncs1 269982a_100000225621_100015185245 [0,2,0,0,0,0|2,0,0]=4 1158 B10R1.27 CNC(=O)Cc1ccc[nH]1 11a_106832991635_100000238377 [0,2,0,0,0,0|1,0,1]=4 1159 B10R1.27 CNC(=O)Cc1ccc[nH]1 240690a_100102657272_100000238377 [0,2,0,0,0,0|1,0,1]=4 1160 B10R1.27 CNC(=O)Cc1ccc[nH]1 527a_100102657272_100000238377 [0,2,0,0,0,0|1,0,1]=4 1161 B10R1.27 CNC(C)Cc1ccco1 270004a_106832991635_100011216958 [0,2,0,0,0,0|2,0,0]=4 1162 B10R1.27 CNC(C)Cc1cccs1 2230a_100000751415_200000210301 [0,2,0,0,0,0|2,0,0]=4 1163 B10R1.27 CNC(C)Cc1ccsc1 2230a_100000743546_200000210301 [0,2,0,0,0,0|2,0,0]=4 1164 B10R1.27 CNC(C)Cc1ccsc1 34a_100000743546_200000210301 [0,2,0,0,0,0|2,0,0]=4 1165 B10R1.27 CNC(C)Cn1cncn1 2230a_100011201177_200000210301 [0,2,0,0,0,0|1,0,1]=4 1166 B10R1.27 CNC(C)Cn1cncn1 270004a_106832991635_100011342613 [0,2,0,0,0,0|1,0,1]=4 1167 B10R1.27 C[C@H](CO)Sc1cnco1 62a_100016084084_100020591547 [0,2,0,0,0,0|2,0,0]=4 1168 B10R1.27 C[C@H](CO)Sc1cnco1 62a_100020591547_100016084084 [0,2,0,0,0,0|2,0,0]=4 1169 B10R1.27 C[C@H](CO)Sc1cncs1 62a_100011934649_100016084084 [0,2,0,0,0,0|2,0,0]=4 1170 B10R1.27 C[C@H](CO)Sc1cncs1 62a_100016084084_100011934649 [0,2,0,0,0,0|2,0,0]=4 1171 B10R1.27 O=C(CF)Cc1ccc[nH]1 1458a_100000238377_100015361967 [0,2,0,0,0,0|2,0,0]=4 1172 B10R1.27 O=C(CO)Cc1cncs1 1458a_100000210174_100015185245 [0,2,0,0,0,0|2,0,0]=4 1173 B10R1.29 C#CCSc1[nH]cnc1Cl 62a_100000038162_100010200774 [0,2,0,0,0,0|1,0,1]=4 1174 B10R1.29 C#CCSc1cncn1C 62a_100000038162_100009814087 [0,2,0,0,0,0|1,0,1]=4 1175 B10R1.29 C=CCSc1[nH]cnc1Cl 62a_100000210623_100010200774 [0,2,0,0,0,0|1,0,1]=4 1176 B10R1.29 C=CCSc1[nH]cnc1Cl 62a_100010200774_100000210623 [0,2,0,0,0,0|1,0,1]=4 1177 B10R1.29 C=CCSc1cncn1C 62a_100000210623_100009814087 [0,2,0,0,0,0|1,0,1]=4 1178 B10R1.29 C=CCSc1cncn1C 62a_100009814087_100000210623 [0,2,0,0,0,0|1,0,1]=4 1179 B10R1.29 CCCCc1[nH]cnc1Cl 271570a_100020621405_100010200774 [0,2,0,0,0,0|1,0,0]=3 1180 B10R1.29 CCCCc1cncn1C 271570a_100020621405_100009814087 [0,2,0,0,0,0|1,0,0]=3 1181 B10R1.29 CCCCc1scnc1C 271570a_100020621405_100009817116 [0,2,0,0,0,0|2,0,0]=4 1182 B10R1.29 CCCSc1[nH]cnc1Cl 62a_100000210303_100010200774 [0,2,0,0,0,0|1,0,0]=3 1183 B10R1.29 CCCSc1[nH]cnc1Cl 62a_100010200774_100000210303 [0,2,0,0,0,0|1,0,0]=3 1184 B10R1.29 CCCSc1cncn1C 62a_100000210303_100009814087 [0,2,0,0,0,0|1,0,0]=3 1185 B10R1.29 CCCSc1cncn1C 62a_100009814087_100000210303 [0,2,0,0,0,0|1,0,0]=3 1186 B10R1.29 CCCSc1scnc1C 62a_100000210303_100009817116 [0,2,0,0,0,0|2,0,0]=4 1187 B10R1.29 CCCSc1scnc1C 62a_100009817116_100000210303 [0,2,0,0,0,0|2,0,0]=4 1188 B10R1.29 CCNCc1cccn1C 270004a_100015525214_100000211633 [0,2,0,0,0,0|2,0,0]=4 1189 B10R1.29 CCNCc1cccn1C 34a_100011219357_100000210202 [0,2,0,0,0,0|2,0,0]=4 1190 B10R1.29 CCNCc1cncn1C 207a_100015525214_100000750899 [0,2,0,0,0,0|1,0,0]=3 1191 B10R1.29 CCNCc1cncn1C 270004a_100015525214_100000750899 [0,2,0,0,0,0|1,0,0]=3 1192 B10R1.29 CCNCc1scnc1C 207a_100015525214_100000764165 [0,2,0,0,0,0|2,0,0]=4 1193 B10R1.29 CCNCc1scnc1C 2230a_100000752186_100000210202 [0,2,0,0,0,0|2,0,0]=4 1194 B10R1.29 CCOCc1ocnc1C 34a_100000717716_100000210202 [0,2,0,0,0,0|2,0,0]=4 1195 B10R1.29 CCOCc1ocnc1C 7a_100000717716_100000210202 [0,2,0,0,0,0|2,0,0]=4 1196 B10R1.29 CCOCc1scnc1Br 7a_100012000948_100000210202 [0,2,0,0,0,0|2,0,0]=4 1197 B10R1.29 CCOCc1scnc1C 34a_100000750112_100000210202 [0,2,0,0,0,0|2,0,0]=4 1198 B10R1.29 CCOCc1scnc1C 7a_100000750112_100000210202 [0,2,0,0,0,0|2,0,0]=4 1199 B10R1.29 CNCCc1cccn1C 2230a_100011251756_200000210301 [0,2,0,0,0,0|1,0,0]=3 1200 B10R1.29 CNCCc1cccn1C 34a_100011251756_200000210301 [0,2,0,0,0,0|1,0,0]=3 1201 B10R1.29 CNCCc1scnc1C 2230a_100000238517_200000210301 [0,2,0,0,0,0|1,0,0]=3 1202 B10R1.29 CNCCc1scnc1C 2230a_106832991635_100000057103 [0,2,0,0,0,0|1,0,0]=3 1203 B10R1.29 CNCCc1scnc1C 34a_100000238517_200000210301 [0,2,0,0,0,0|1,0,0]=3 1204 B10R1.29 CNCCc1scnc1C 34a_100102657272_100000057103 [0,2,0,0,0,0|1,0,0]=3 1205 B10R1.29 CNCCc1scnc1C 7a_106832991635_100000057103 [0,2,0,0,0,0|1,0,0]=3 1206 B10R1.29 CNCCn1ccnc1C 2230a_106832991635_100000742477 [0,2,0,0,0,0|2,0,0]=4 1207 B10R1.29 CNCCn1ccnc1C 34a_100015184736_200000210301 [0,2,0,0,0,0|2,0,0]=4 1208 B10R1.29 CNCCn1ccnc1C 7a_106832991635_100000742477 [0,2,0,0,0,0|2,0,0]=4 1209 B10R1.29 COCCc1scnc1C 34a_100000211055_200000210301 [0,2,0,0,0,0|2,0,0]=4 1210 B10R1.29 COCCc1scnc1C 34a_100138415774_100000057103 [0,2,0,0,0,0|2,0,0]=4 1211 B10R1.29 COCCc1scnc1C 7a_100000211055_200000210301 [0,2,0,0,0,0|2,0,0]=4 1212 B10R1.29 COCSc1[nH]cnc1Cl 62a_100000766300_100010200774 [0,2,0,0,0,0|2,0,0]=4 1213 B10R1.29 COCSc1[nH]cnc1Cl 62a_100010200774_100000766300 [0,2,0,0,0,0|2,0,0]=4 1214 B10R1.29 COCSc1cncn1C 62a_100000766300_100009814087 [0,2,0,0,0,0|2,0,0]=4 1215 B10R1.29 COCSc1cncn1C 62a_100009814087_100000766300 [0,2,0,0,0,0|2,0,0]=4 1216 B10R1.29 CSCCc1scnc1C 62a_100000057103_200000210301 [0,2,0,0,0,0|2,0,0]=4 1217 B10R1.29 CSCCc1scnc1C 62a_200000210301_100000057103 [0,2,0,0,0,0|2,0,0]=4 1218 B10R1.29 CSCSc1[nH]cnc1Cl 62a_100010200774_100011218213 [0,2,0,0,0,0|2,0,0]=4 1219 B10R1.29 CSCSc1[nH]cnc1Cl 62a_100011218213_100010200774 [0,2,0,0,0,0|2,0,0]=4 1220 B10R1.29 CSCSc1cncn1C 62a_100009814087_100011218213 [0,2,0,0,0,0|2,0,0]=4 1221 B10R1.29 CSCSc1cncn1C 62a_100011218213_100009814087 [0,2,0,0,0,0|2,0,0]=4 1222 B10R1.29 Cc1nccn1CCN[13CH3] 34a_100015184736_200025704644 [0,2,0,0,0,0|2,0,0]=4 1223 B10R1.29 Cc1ncoc1COCF 34a_100000717716_100015361967 [0,2,0,0,0,0|2,0,0]=4 1224 B10R1.29 Cc1ncoc1COCF 7a_100000717716_100015361967 [0,2,0,0,0,0|2,0,0]=4 1225 B10R1.29 Cc1ncsc1CCN[13CH3] 2230a_100000238517_200025704644 [0,2,0,0,0,0|1,0,0]=3 1226 B10R1.29 Cc1ncsc1CCN[13CH3] 34a_100000238517_200025704644 [0,2,0,0,0,0|1,0,0]=3 1227 B10R1.29 Cc1ncsc1CCO[13CH3] 34a_100000211055_200025704644 [0,2,0,0,0,0|2,0,0]=4 1228 B10R1.29 Cc1ncsc1CCO[13CH3] 7a_100000211055_200025704644 [0,2,0,0,0,0|2,0,0]=4 1229 B10R1.29 Cc1ncsc1CCS[13CH3] 62a_100000057103_200025704644 [0,2,0,0,0,0|2,0,0]=4 1230 B10R1.29 Cc1ncsc1CCS[13CH3] 62a_200025704644_100000057103 [0,2,0,0,0,0|2,0,0]=4 1231 B10R1.29 Cc1ncsc1COCF 34a_100000750112_100015361967 [0,2,0,0,0,0|2,0,0]=4 1232 B10R1.29 Cc1ncsc1COCF 7a_100000750112_100015361967 [0,2,0,0,0,0|2,0,0]=4 1233 B10R1.29 Cc1ncsc1SCCF 62a_100009817116_100011217306 [0,2,0,0,0,0|2,0,0]=4 1234 B10R1.29 Cc1ncsc1SCCF 62a_100011217306_100009817116 [0,2,0,0,0,0|2,0,0]=4 1235 B10R1.29 Cc1ncsc1SCCO 62a_100000211926_100009817116 [0,2,0,0,0,0|2,0,0]=4 1236 B10R1.29 Cc1ncsc1SCCO 62a_100009817116_100000211926 [0,2,0,0,0,0|2,0,0]=4 1237 B10R1.29 Cn1cccc1CCN[13CH3] 2230a_100011251756_200025704644 [0,2,0,0,0,0|1,0,0]=3 1238 B10R1.29 Cn1cccc1CCN[13CH3] 34a_100011251756_200025704644 [0,2,0,0,0,0|1,0,0]=3 1239 B10R1.29 Cn1cccc1CNCF 34a_100011219357_100015361967 [0,2,0,0,0,0|2,0,0]=4 1240 B10R1.29 Cn1cncc1SCC#N 62a_100009814087_100011215382 [0,2,0,0,0,0|0,0,2]=4 1241 B10R1.29 Cn1cncc1SCC#N 62a_100011215382_100009814087 [0,2,0,0,0,0|0,0,2]=4 1242 B10R1.29 Cn1cncc1SCC=O 62a_100009814087_200015260668 [0,2,0,0,0,0|1,0,1]=4 1243 B10R1.29 Cn1cncc1SCC=O 62a_200015260668_100009814087 [0,2,0,0,0,0|1,0,1]=4 1244 B10R1.29 Cn1cncc1SCCF 62a_100009814087_100011217306 [0,2,0,0,0,0|1,0,0]=3 1245 B10R1.29 Cn1cncc1SCCF 62a_100011217306_100009814087 [0,2,0,0,0,0|1,0,0]=3 1246 B10R1.29 Cn1cncc1SCCO 62a_100000211926_100009814087 [0,2,0,0,0,0|1,0,0]=3 1247 B10R1.29 Cn1cncc1SCCO 62a_100009814087_100000211926 [0,2,0,0,0,0|1,0,0]=3 1248 B10R1.29 FCCSc1[nH]cnc1Cl 62a_100010200774_100011217306 [0,2,0,0,0,0|1,0,0]=3 1249 B10R1.29 FCCSc1[nH]cnc1Cl 62a_100011217306_100010200774 [0,2,0,0,0,0|1,0,0]=3 1250 B10R1.29 FCOCc1scnc1Br 7a_100012000948_100015361967 [0,2,0,0,0,0|2,0,0]=4 1251 B10R1.29 N#CCSc1[nH]cnc1Cl 62a_100010200774_100011215382 [0,2,0,0,0,0|0,0,2]=4 1252 B10R1.29 N#CCSc1[nH]cnc1Cl 62a_100011215382_100010200774 [0,2,0,0,0,0|0,0,2]=4 1253 B10R1.29 O=CCSc1[nH]cnc1Cl 62a_100010200774_200015260668 [0,2,0,0,0,0|1,0,1]=4 1254 B10R1.29 O=CCSc1[nH]cnc1Cl 62a_200015260668_100010200774 [0,2,0,0,0,0|1,0,1]=4 1255 B10R1.29 OCCSc1[nH]cnc1Cl 62a_100000211926_100010200774 [0,2,0,0,0,0|1,0,0]=3 1256 B10R1.29 OCCSc1[nH]cnc1Cl 62a_100010200774_100000211926 [0,2,0,0,0,0|1,0,0]=3 1257 B10R1.66 CC(=O)CCc1ccc[nH]1 1458a_200011998680_200000210301 [0,2,0,0,0,0|2,0,0]=4 1258 B10R1.66 CC(=O)CCc1cnc[nH]1 1458a_100000044180_200000210301 [0,2,0,0,0,0|1,0,0]=3 1259 B10R1.66 CC(=O)CCc1cncs1 1458a_100012184922_200000210301 [0,2,0,0,0,0|2,0,0]=4 1260 B10R1.66 CC(C)CSc1cnco1 62a_100000210624_100020591547 [0,2,0,0,0,0|2,0,0]=4 1261 B10R1.66 CC(C)CSc1cnco1 62a_100020591547_100000210760 [0,2,0,0,0,0|2,0,0]=4 1262 B10R1.66 CC(C)CSc1cncs1 62a_100000210624_100011934649 [0,2,0,0,0,0|2,0,0]=4 1263 B10R1.66 CC(C)CSc1cncs1 62a_100011934649_100000210760 [0,2,0,0,0,0|2,0,0]=4 1264 B10R1.66 CC(C)NCc1cnc[nH]1 207a_100138425928_100000742939 [0,2,0,0,0,0|1,0,0]=3 1265 B10R1.66 CC(C)NCc1cncs1 207a_100138425928_100000749870 [0,2,0,0,0,0|2,0,0]=4 1266 B10R1.66 CC(C)NCc1cncs1 2230a_100016987365_100000210206 [0,2,0,0,0,0|2,0,0]=4 1267 B10R1.66 CC(C)NCc1cncs1 2230a_100138425928_100015185245 [0,2,0,0,0,0|2,0,0]=4 1268 B10R1.66 CC(C)NCc1cncs1 34a_100138425928_100015185245 [0,2,0,0,0,0|2,0,0]=4 1269 B10R1.66 CC(C)NCc1nnc[nH]1 2230a_200015183720_100000210206 [0,2,0,0,0,0|2,0,0]=4 1270 B10R1.66 CC(C)OCc1cncs1 34a_100000212225_100015185245 [0,2,0,0,0,0|2,0,0]=4 1271 B10R1.66 CC(C)SCc1cncs1 62a_100000210206_100015185245 [0,2,0,0,0,0|2,0,0]=4 1272 B10R1.66 CC(C)SCc1cncs1 62a_100015185245_100000210206 [0,2,0,0,0,0|2,0,0]=4 1273 B10R1.66 CC(O)CSc1cnco1 62a_100011218427_100020591547 [0,2,0,0,0,0|2,0,0]=4 1274 B10R1.66 CC(O)CSc1cnco1 62a_100020591547_100011218427 [0,2,0,0,0,0|2,0,0]=4 1275 B10R1.66 CC(O)CSc1cncs1 62a_100011218427_100011934649 [0,2,0,0,0,0|2,0,0]=4 1276 B10R1.66 CC(O)CSc1cncs1 62a_100011934649_100011218427 [0,2,0,0,0,0|2,0,0]=4 1277 B10R1.66 CN(C)CCc1c[nH]cn1 2230a_100102631434_100020628418 [0,2,0,0,0,0|0,0,2]=4 1278 B10R1.66 CN(C)CCc1c[nH]cn1 269982a_100102631434_100020628418 [0,2,0,0,0,0|0,0,2]=4 1279 B10R1.66 CN(C)CCc1cccs1 2230a_100102631434_100000748579 [0,2,0,0,0,0|2,0,0]=4 1280 B10R1.66 CN(C)CCc1cccs1 269982a_100102631434_100000748579 [0,2,0,0,0,0|2,0,0]=4 1281 B10R1.66 CN(C)CCc1cn[nH]c1 2230a_100102631434_100000743252 [0,2,0,0,0,0|2,0,0]=4 1282 B10R1.66 CN(C)CCc1cn[nH]c1 269982a_100102631434_100000743252 [0,2,0,0,0,0|2,0,0]=4 1283 B10R1.66 CN(C)CCc1nnn[nH]1 269982a_100102631434_100000031946 [0,2,0,0,0,0|2,0,0]=4 1284 B10R1.66 CN(C)CCn1ccnc1 269982a_100102631434_100000702546 [0,2,0,0,0,0|2,0,0]=4 1285 B10R1.66 CN(C)CCn1cncn1 2230a_100102631434_100000731791 [0,2,0,0,0,0|1,0,1]=4 1286 B10R1.66 CN(C)CCn1cncn1 269982a_100102631434_100000731791 [0,2,0,0,0,0|1,0,1]=4 1287 B10R1.66 C[C@@H](O)CSc1cnco1 62a_100009817552_100020591547 [0,2,0,0,0,0|2,0,0]=4 1288 B10R1.66 C[C@@H](O)CSc1cnco1 62a_100020591547_100009817552 [0,2,0,0,0,0|2,0,0]=4 1289 B10R1.66 C[C@@H](O)CSc1cncs1 62a_100009817552_100011934649 [0,2,0,0,0,0|2,0,0]=4 1290 B10R1.66 C[C@@H](O)CSc1cncs1 62a_100011934649_100009817552 [0,2,0,0,0,0|2,0,0]=4 1291 B10R1.66 FC(F)CSc1cnco1 62a_100011934356_100020591547 [0,2,0,0,0,0|2,0,0]=4 1292 B10R1.66 FC(F)CSc1cnco1 62a_100020591547_100011934356 [0,2,0,0,0,0|2,0,0]=4 1293 B10R1.66 FC(F)CSc1cncs1 62a_100011934356_100011934649 [0,2,0,0,0,0|2,0,0]=4 1294 B10R1.66 FC(F)CSc1cncs1 62a_100011934649_100011934356 [0,2,0,0,0,0|2,0,0]=4 1295 B10R1.66 NC(=O)CSc1cnco1 62a_100000747473_100020591547 [0,2,0,0,0,0|1,0,1]=4 1296 B10R1.66 NC(=O)CSc1cnco1 62a_100020591547_100000747473 [0,2,0,0,0,0|1,0,1]=4 1297 B10R1.66 NC(=O)CSc1cncs1 62a_100000747473_100011934649 [0,2,0,0,0,0|1,0,1]=4 1298 B10R1.66 NC(=O)CSc1cncs1 62a_100011934649_100000747473 [0,2,0,0,0,0|1,0,1]=4 1299 B10R1.66 [13CH3]C(=O)CCc1ccc[nH]1 1458a_200011998680_200025704644 [0,2,0,0,0,0|2,0,0]=4 1300 B10R1.66 [13CH3]C(=O)CCc1cnc[nH]1 1458a_100000044180_200025704644 [0,2,0,0,0,0|1,0,0]=3 1301 B10R1.66 [13CH3]C(=O)CCc1cncs1 1458a_100012184922_200025704644 [0,2,0,0,0,0|2,0,0]=4 1302 B10R1.64 CC(C)Sc1[nH]cnc1Cl 62a_100000210206_100010200774 [0,2,0,0,0,0|2,0,0]=4 1303 B10R1.64 CC(C)Sc1[nH]cnc1Cl 62a_100010200774_100000210206 [0,2,0,0,0,0|2,0,0]=4 1304 B10R1.64 CC(C)Sc1cncn1C 62a_100000210206_100009814087 [0,2,0,0,0,0|2,0,0]=4 1305 B10R1.64 CC(C)Sc1cncn1C 62a_100009814087_100000210206 [0,2,0,0,0,0|2,0,0]=4 1306 B10R1.64 CN(C)Cc1cncn1C 270004a_100102631434_100000750899 [0,2,0,0,0,0|2,0,0]=4 1307 B10R1.5 CCSc1[nH]cnc1C=O 62a_100000210202_100015192532 [0,2,0,0,0,0|2,0,0]=4 1308 B10R1.5 CCSc1[nH]cnc1C=O 62a_100015192532_100000210202 [0,2,0,0,0,0|2,0,0]=4 1309 B10R1.5 CCn1cncc1CNC 207a_100102657272_100011361554 [0,2,0,0,0,0|2,0,0]=4 1310 B10R1.5 CCn1cncc1CNC 2230a_106832991635_100015185705 [0,2,0,0,0,0|2,0,0]=4 1311 B10R1.5 CCn1cncc1CNC 270004a_106832991635_100011361554 [0,2,0,0,0,0|2,0,0]=4 1312 B10R1.5 CCn1cncc1CNC 34a_100102657272_100015185705 [0,2,0,0,0,0|2,0,0]=4 1313 B10R1.5 CCn1cncc1CNC 7a_106832991635_100015185705 [0,2,0,0,0,0|2,0,0]=4 1314 B10R1.5 CCn1cncc1COC 34a_100138415774_100015185705 [0,2,0,0,0,0|2,0,0]=4 1315 B10R1.5 CCn1cncc1CSC 62a_100015185705_200000210301 [0,2,0,0,0,0|2,0,0]=4 1316 B10R1.5 CCn1cncc1CSC 62a_200000210301_100015185705 [0,2,0,0,0,0|2,0,0]=4 1317 B10R1.5 CCn1cncc1CS[13CH3] 62a_100015185705_200025704644 [0,2,0,0,0,0|2,0,0]=4 1318 B10R1.5 CCn1cncc1CS[13CH3] 62a_200025704644_100015185705 [0,2,0,0,0,0|2,0,0]=4 1319 B10R1.5 O=Cc1nc[nH]c1SCF 62a_100015192532_100015361967 [0,2,0,0,0,0|2,0,0]=4 1320 B10R1.5 O=Cc1nc[nH]c1SCF 62a_100015361967_100015192532 [0,2,0,0,0,0|2,0,0]=4 1321 B10R1.187 CNCc1c(ncn1C)I 207a_100102657272_200000040309 [0,2,0,0,0,0|2,0,0]=4 1322 B10R1.187 CNCc1c(ncn1C)I 270004a_106832991635_200000040309 [0,2,0,0,0,0|2,0,0]=4 1323 B10R2.6 c1cc(ccn1)C2CC2 271570a_100011220607_100000035832 [0,0,0,1,0,1|2,0,0]=4 1324 B10R2.6 c1cc(cnn1)C2CC2 271570a_100011220607_100000732662 [0,0,0,1,0,1|2,0,0]=4 1325 B10R2.6 c1cc(ncn1)C2CC2 271570a_100011220607_100000703185 [0,0,0,1,0,1|1,0,1]=4 1326 B10R2.6 c1cnc(cn1)C2CC2 271570a_100011220607_100000758340 [0,0,0,1,0,1|1,0,1]=4 1327 B10R2.6 c1cncc(c1)C2CC2 271570a_100011220607_100000752921 [0,0,0,1,0,1|2,0,0]=4 1328 B10R2.6 c1ncc(cn1)C2CC2 271570a_100011220607_100011206942 [0,0,0,1,0,1|1,0,1]=4 1329 B10R2.14 Cc1ncc(s1)C2CC2 271570a_100011220607_100000764884 [0,1,0,1,0,0|2,0,0]=4 1330 B10R2.193 c1ncc(o1)SC2CC2 62a_100020591547_100000211595 [0,1,0,1,0,0|2,0,0]=4 1331 B10R2.193 c1ncc(s1)SC2CC2 62a_100011934649_100000211595 [0,1,0,1,0,0|2,0,0]=4 1332 B10R2.21 Cc1ncsc1C2CC2 271570a_100011220607_100009817116 [0,1,0,1,0,0|2,0,0]=4 1333 B10R2.21 Clc1nc[nH]c1C2CC2 271570a_100011220607_100010200774 [0,1,0,1,0,0|1,0,0]=3 1334 B10R2.21 Cn1cncc1C2CC2 271570a_100011220607_100009814087 [0,1,0,1,0,0|1,0,0]=3