0 B9R1.11 CC(N[13CH3])c1cccs1 2230a_100000703493_200025704644 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.11 CC(N[13CH3])c1ccoc1 2230a_100000690049_200025704644 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.11 CC(N[13CH3])c1ccsc1 2230a_100000748604_200025704644 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.11 CC(N[13CH3])c1nccs1 2230a_100000725601_200025704644 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.11 CC(O[13CH3])c1ccsc1 34a_100011350980_200025704644 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.11 CC(O[13CH3])c1ccsc1 7a_100011350980_200025704644 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.11 CC(O[13CH3])c1nccs1 7a_100000751044_200025704644 [0,0,0,0,0,0|1,0,0]=1 7 B9R1.11 CCC(C)N1CC=CC1 269982a_100015195280_100000758301 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.11 CNC(C)c1cc[nH]c1 269862a_106832991636_100000753940 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.11 CNC(C)c1ccc[nH]1 269862a_106832991636_100000183661 [0,0,0,0,0,0|2,0,1]=3 10 B9R1.11 CNC(C)c1cccs1 2230a_100000703493_200000210301 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.11 CNC(C)c1cccs1 269862a_106832991636_100000185736 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.11 CNC(C)c1ccn[nH]1 269862a_106832991636_100000747476 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.11 CNC(C)c1ccoc1 2230a_100000690049_200000210301 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.11 CNC(C)c1ccsc1 2230a_100000748604_200000210301 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.11 CNC(C)c1ccsc1 269862a_106832991636_100000747891 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.11 CNC(C)c1cscn1 269862a_106832991636_100000693406 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.11 CNC(C)c1ncc[nH]1 269862a_106832991636_100000718901 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.11 CNC(C)c1nccs1 2230a_100000725601_200000210301 [0,0,0,0,0,0|1,0,0]=1 19 B9R1.11 CN[C@H](C)c1ccco1 2230a_100160469435_200000210301 [0,0,0,0,0,0|2,1,0]=3 20 B9R1.11 COC(C)N1CC=CC1 269982a_100015195280_100009879195 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.11 COC(C)c1ccsc1 34a_100011350980_200000210301 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.11 COC(C)c1ccsc1 7a_100011350980_200000210301 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.11 COC(C)c1nccs1 7a_100000751044_200000210301 [0,0,0,0,0,0|1,0,0]=1 24 B9R1.11 CO[C@@H](C)c1ccco1 34a_100000755270_200000210301 [0,0,0,0,0,0|2,1,0]=3 25 B9R1.11 CO[C@@H](C)c1ccco1 7a_100000755270_200000210301 [0,0,0,0,0,0|2,1,0]=3 26 B9R1.11 CO[C@H](C)c1cccs1 7a_100000750433_200000210301 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.11 C[C@@H](N[13CH3])c1ccco1 2230a_100160469435_200025704644 [0,0,0,0,0,0|2,1,0]=3 28 B9R1.11 C[C@@H](O[13CH3])c1cccs1 7a_100000750433_200025704644 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.11 C[C@H](CO)N1CC=CC1 269982a_100015195280_100016084084 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.11 C[C@H](O[13CH3])c1ccco1 34a_100000755270_200025704644 [0,0,0,0,0,0|2,1,0]=3 31 B9R1.11 C[C@H](O[13CH3])c1ccco1 7a_100000755270_200025704644 [0,0,0,0,0,0|2,1,0]=3 32 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [1,0,0,0,0,0|1,0,2]=4 33 B8R1.7 C=C(C)c1ncc[nH]1 271570a_100000694244_100025796157 [1,0,0,0,0,0|1,0,2]=4 34 B8R1.7 C=C(C)c1ncco1 271570a_100000694244_100011787736 [1,0,0,0,0,0|0,1,2]=4 35 B8R1.7 C=C(C)c1nccs1 271570a_100000694244_100000211983 [1,0,0,0,0,0|0,0,2]=3 36 B8R1.7 C=C(C)c1ncns1 271570a_100000694244_100000693119 [1,0,0,0,0,0|1,0,2]=4 37 B8R1.7 C=C(C)c1nncs1 271570a_100000694244_100000739804 [1,0,0,0,0,0|1,0,2]=4 38 B8R1.7 CC(C)N1CC=CC1 269982a_100015195280_100000210206 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.7 CN(C)c1ncns1 27a_100102631434_100000693119 [1,0,0,0,0,0|2,0,0]=3 40 B8R1.7 CN(C)c1nncs1 27a_100102631434_100000739804 [1,0,0,0,0,0|2,0,0]=3 41 B8R1.8 C=C=Cc1nccs1 271570a_100015277604_100000211983 [1,0,0,0,0,0|0,0,3]=4 42 B8R1.8 CC=Cc1cccs1 271570a_100016259895_100011215356 [1,0,0,0,0,0|1,0,2]=4 43 B8R1.8 CC=Cc1ncc[nH]1 271570a_100016259895_100025796157 [1,0,0,0,0,0|1,0,2]=4 44 B8R1.8 CC=Cc1ncco1 271570a_100016259895_100011787736 [1,0,0,0,0,0|0,1,2]=4 45 B8R1.8 CC=Cc1nccs1 271570a_100016259895_100000211983 [1,0,0,0,0,0|0,0,2]=3 46 B8R1.8 CC=Cc1ncns1 271570a_100016259895_100000693119 [1,0,0,0,0,0|1,0,2]=4 47 B8R1.8 CC=Cc1nncs1 271570a_100016259895_100000739804 [1,0,0,0,0,0|1,0,2]=4 48 B8R1.8 CCCN1CC=CC1 269982a_100015195280_100000210303 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.8 CCNc1ncns1 27a_100015525214_100000693119 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.8 CCNc1nncs1 27a_100015525214_100000739804 [1,0,0,0,0,0|2,0,0]=3 51 B8R1.8 CCSc1c[nH]cn1 62a_100000210202_100000756875 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.8 CCSc1c[nH]cn1 62a_100000756875_100000210202 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.8 CCSc1cc[nH]n1 62a_100000062575_100000210202 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.8 CCSc1cc[nH]n1 62a_100000210202_100000062575 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.8 CCSc1ccco1 62a_100000210202_100009814098 [1,0,0,0,0,0|2,1,0]=4 56 B8R1.8 CCSc1ccco1 62a_100009814098_100000210202 [1,0,0,0,0,0|2,1,0]=4 57 B8R1.8 CCSc1cccs1 62a_100000210202_100011215356 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.8 CCSc1cccs1 62a_100011215356_100000210202 [1,0,0,0,0,0|2,0,0]=3 59 B8R1.8 CCSc1ccon1 62a_100000210202_100009818083 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.8 CCSc1ccon1 62a_100009818083_100000210202 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.8 CCSc1ccsn1 62a_100000210202_100009818082 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.8 CCSc1ccsn1 62a_100009818082_100000210202 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.8 CCSc1cncs1 62a_100000210202_100011934649 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.8 CCSc1cncs1 62a_100011934649_100000210202 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.8 CCSc1cscn1 62a_100000210202_100000751502 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.8 CCSc1cscn1 62a_100000751502_100000210202 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.8 CCSc1nc[nH]n1 62a_100000210202_100000761765 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.8 CCSc1nc[nH]n1 62a_100000761765_100000210202 [1,0,0,0,0,0|3,0,0]=4 69 B8R1.8 CCSc1ncc[nH]1 62a_100000210202_100025796157 [1,0,0,0,0,0|2,0,0]=3 70 B8R1.8 CCSc1ncc[nH]1 62a_100025796157_100000210202 [1,0,0,0,0,0|2,0,0]=3 71 B8R1.8 CCSc1ncco1 62a_100000210202_100011787736 [1,0,0,0,0,0|1,1,0]=3 72 B8R1.8 CCSc1ncco1 62a_100011787736_100000210202 [1,0,0,0,0,0|1,1,0]=3 73 B8R1.8 CCSc1nccs1 62a_100000210202_100000211983 [1,0,0,0,0,0|1,0,0]=2 74 B8R1.8 CCSc1nccs1 62a_100000211983_100000210202 [1,0,0,0,0,0|1,0,0]=2 75 B8R1.8 CCSc1ncns1 62a_100000210202_100000693119 [1,0,0,0,0,0|2,0,0]=3 76 B8R1.8 CCSc1ncns1 62a_100000693119_100000210202 [1,0,0,0,0,0|2,0,0]=3 77 B8R1.8 CCSc1nncs1 62a_100000210202_100000739804 [1,0,0,0,0,0|2,0,0]=3 78 B8R1.8 CCSc1nncs1 62a_100000739804_100000210202 [1,0,0,0,0,0|2,0,0]=3 79 B8R1.8 CNCc1c[nH]cn1 2230a_106832991635_100000707719 [1,0,0,0,0,0|3,0,0]=4 80 B8R1.8 CNCc1c[nH]cn1 34a_100102657272_100000707719 [1,0,0,0,0,0|3,0,0]=4 81 B8R1.8 CNCc1cc[nH]n1 207a_100102657272_100000738523 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.8 CNCc1cc[nH]n1 270004a_106832991635_100000738523 [1,0,0,0,0,0|3,0,0]=4 83 B8R1.8 CNCc1ccco1 207a_100102657272_100000186105 [1,0,0,0,0,0|2,1,0]=4 84 B8R1.8 CNCc1ccco1 2230a_100000185738_200000210301 [1,0,0,0,0,0|2,1,0]=4 85 B8R1.8 CNCc1ccco1 270004a_106832991635_100000186105 [1,0,0,0,0,0|2,1,0]=4 86 B8R1.8 CNCc1ccco1 34a_100000185738_200000210301 [1,0,0,0,0,0|2,1,0]=4 87 B8R1.8 CNCc1cccs1 207a_100102657272_100000209959 [1,0,0,0,0,0|2,0,0]=3 88 B8R1.8 CNCc1cccs1 2230a_100000211653_200000210301 [1,0,0,0,0,0|2,0,0]=3 89 B8R1.8 CNCc1cccs1 270004a_106832991635_100000209959 [1,0,0,0,0,0|2,0,0]=3 90 B8R1.8 CNCc1ccon1 2230a_106832991635_100000234950 [1,0,0,0,0,0|3,0,0]=4 91 B8R1.8 CNCc1ccon1 34a_100102657272_100000234950 [1,0,0,0,0,0|3,0,0]=4 92 B8R1.8 CNCc1ccon1 7a_106832991635_100000234950 [1,0,0,0,0,0|3,0,0]=4 93 B8R1.8 CNCc1cncs1 207a_100102657272_100000749870 [1,0,0,0,0,0|3,0,0]=4 94 B8R1.8 CNCc1cncs1 2230a_100016987365_200000210301 [1,0,0,0,0,0|3,0,0]=4 95 B8R1.8 CNCc1cncs1 2230a_106832991635_100015185245 [1,0,0,0,0,0|3,0,0]=4 96 B8R1.8 CNCc1cncs1 270004a_106832991635_100000749870 [1,0,0,0,0,0|3,0,0]=4 97 B8R1.8 CNCc1cncs1 34a_100102657272_100015185245 [1,0,0,0,0,0|3,0,0]=4 98 B8R1.8 CNCc1cncs1 7a_106832991635_100015185245 [1,0,0,0,0,0|3,0,0]=4 99 B8R1.8 CNCc1cocn1 270004a_106832991635_100000050382 [1,0,0,0,0,0|3,0,0]=4 100 B8R1.8 CNCc1cscn1 207a_100102657272_100000743575 [1,0,0,0,0,0|3,0,0]=4 101 B8R1.8 CNCc1cscn1 2230a_100015185402_200000210301 [1,0,0,0,0,0|3,0,0]=4 102 B8R1.8 CNCc1cscn1 2230a_106832991635_100000205941 [1,0,0,0,0,0|3,0,0]=4 103 B8R1.8 CNCc1cscn1 270004a_106832991635_100000743575 [1,0,0,0,0,0|3,0,0]=4 104 B8R1.8 CNCc1cscn1 34a_100102657272_100000205941 [1,0,0,0,0,0|3,0,0]=4 105 B8R1.8 CNCc1cscn1 7a_106832991635_100000205941 [1,0,0,0,0,0|3,0,0]=4 106 B8R1.8 CNCc1ncc[nH]1 207a_100102657272_100000743867 [1,0,0,0,0,0|2,0,0]=3 107 B8R1.8 CNCc1ncc[nH]1 2230a_106832991635_100016991755 [1,0,0,0,0,0|2,0,0]=3 108 B8R1.8 CNCc1ncc[nH]1 34a_100102657272_100016991755 [1,0,0,0,0,0|2,0,0]=3 109 B8R1.8 CNCc1ncc[nH]1 7a_106832991635_100000753453 [1,0,0,0,0,0|2,0,0]=3 110 B8R1.8 CNCc1ncco1 2230a_100016994969_200000210301 [1,0,0,0,0,0|1,1,0]=3 111 B8R1.8 CNCc1ncco1 2230a_106832991635_103436540062 [1,0,0,0,0,0|1,1,0]=3 112 B8R1.8 CNCc1ncco1 270004a_106832991635_100000064290 [1,0,0,0,0,0|1,1,0]=3 113 B8R1.8 CNCc1ncco1 34a_100102657272_103436540062 [1,0,0,0,0,0|1,1,0]=3 114 B8R1.8 CNCc1ncco1 7a_106832991635_103436540062 [1,0,0,0,0,0|1,1,0]=3 115 B8R1.8 CNCc1nccs1 207a_100102657272_100000750902 [1,0,0,0,0,0|1,0,0]=2 116 B8R1.8 CNCc1nccs1 2230a_100000740555_200000210301 [1,0,0,0,0,0|1,0,0]=2 117 B8R1.8 CNCc1nccs1 2230a_106832991635_100015184050 [1,0,0,0,0,0|1,0,0]=2 118 B8R1.8 CNCc1nccs1 270004a_106832991635_100000750902 [1,0,0,0,0,0|1,0,0]=2 119 B8R1.8 CNCc1nccs1 34a_100102657272_100015184050 [1,0,0,0,0,0|1,0,0]=2 120 B8R1.8 CNCc1nccs1 7a_106832991635_100015184050 [1,0,0,0,0,0|1,0,0]=2 121 B8R1.8 CNCc1ncon1 34a_100102657272_100000233494 [1,0,0,0,0,0|3,0,0]=4 122 B8R1.8 CNCc1nnc[nH]1 2230a_200015183720_200000210301 [1,0,0,0,0,0|3,0,0]=4 123 B8R1.8 COCc1c[nH]cn1 34a_100138415774_100000707719 [1,0,0,0,0,0|3,0,0]=4 124 B8R1.8 COCc1ccco1 34a_100000210059_200000210301 [1,0,0,0,0,0|2,1,0]=4 125 B8R1.8 COCc1cccs1 34a_100000211240_200000210301 [1,0,0,0,0,0|2,0,0]=3 126 B8R1.8 COCc1ccon1 34a_100138415774_100000234950 [1,0,0,0,0,0|3,0,0]=4 127 B8R1.8 COCc1cncs1 34a_100138415774_100015185245 [1,0,0,0,0,0|3,0,0]=4 128 B8R1.8 COCc1cscn1 34a_100138415774_100000205941 [1,0,0,0,0,0|3,0,0]=4 129 B8R1.8 COCc1ncc[nH]1 34a_100138415774_100016991755 [1,0,0,0,0,0|2,0,0]=3 130 B8R1.8 COCc1ncco1 34a_100000062594_200000210301 [1,0,0,0,0,0|1,1,0]=3 131 B8R1.8 COCc1ncco1 34a_100138415774_103436540062 [1,0,0,0,0,0|1,1,0]=3 132 B8R1.8 COCc1nccs1 34a_100138415774_100015184050 [1,0,0,0,0,0|1,0,0]=2 133 B8R1.8 COCc1ncon1 34a_100138415774_100000233494 [1,0,0,0,0,0|3,0,0]=4 134 B8R1.8 COCn1cccn1 34a_100000731028_200000210301 [1,0,0,0,0,0|3,0,0]=4 135 B8R1.8 CSCc1c[nH]cn1 62a_100000707719_200000210301 [1,0,0,0,0,0|3,0,0]=4 136 B8R1.8 CSCc1c[nH]cn1 62a_200000210301_100000707719 [1,0,0,0,0,0|3,0,0]=4 137 B8R1.8 CSCc1ccon1 62a_100000234950_200000210301 [1,0,0,0,0,0|3,0,0]=4 138 B8R1.8 CSCc1ccon1 62a_200000210301_100000234950 [1,0,0,0,0,0|3,0,0]=4 139 B8R1.8 CSCc1cncs1 62a_100015185245_200000210301 [1,0,0,0,0,0|3,0,0]=4 140 B8R1.8 CSCc1cncs1 62a_200000210301_100015185245 [1,0,0,0,0,0|3,0,0]=4 141 B8R1.8 CSCc1cscn1 62a_100000205941_200000210301 [1,0,0,0,0,0|3,0,0]=4 142 B8R1.8 CSCc1cscn1 62a_200000210301_100000205941 [1,0,0,0,0,0|3,0,0]=4 143 B8R1.8 CSCc1ncc[nH]1 62a_100016991755_200000210301 [1,0,0,0,0,0|2,0,0]=3 144 B8R1.8 CSCc1ncc[nH]1 62a_200000210301_100016991755 [1,0,0,0,0,0|2,0,0]=3 145 B8R1.8 CSCc1ncco1 62a_103436540062_200000210301 [1,0,0,0,0,0|1,1,0]=3 146 B8R1.8 CSCc1ncco1 62a_200000210301_103436540062 [1,0,0,0,0,0|1,1,0]=3 147 B8R1.8 CSCc1nccs1 62a_100015184050_200000210301 [1,0,0,0,0,0|1,0,0]=2 148 B8R1.8 CSCc1nccs1 62a_200000210301_100015184050 [1,0,0,0,0,0|1,0,0]=2 149 B8R1.8 CSCc1ncon1 62a_100000233494_200000210301 [1,0,0,0,0,0|3,0,0]=4 150 B8R1.8 CSCc1ncon1 62a_200000210301_100000233494 [1,0,0,0,0,0|3,0,0]=4 151 B8R1.8 FCSc1cccs1 62a_100011215356_100015361967 [1,0,0,0,0,0|3,0,0]=4 152 B8R1.8 FCSc1cccs1 62a_100015361967_100011215356 [1,0,0,0,0,0|3,0,0]=4 153 B8R1.8 FCSc1ncc[nH]1 62a_100015361967_100025796157 [1,0,0,0,0,0|3,0,0]=4 154 B8R1.8 FCSc1ncc[nH]1 62a_100025796157_100015361967 [1,0,0,0,0,0|3,0,0]=4 155 B8R1.8 FCSc1ncco1 62a_100011787736_100015361967 [1,0,0,0,0,0|2,1,0]=4 156 B8R1.8 FCSc1ncco1 62a_100015361967_100011787736 [1,0,0,0,0,0|2,1,0]=4 157 B8R1.8 FCSc1nccs1 62a_100000211983_100015361967 [1,0,0,0,0,0|2,0,0]=3 158 B8R1.8 FCSc1nccs1 62a_100015361967_100000211983 [1,0,0,0,0,0|2,0,0]=3 159 B8R1.8 FCSc1ncns1 62a_100000693119_100015361967 [1,0,0,0,0,0|3,0,0]=4 160 B8R1.8 FCSc1ncns1 62a_100015361967_100000693119 [1,0,0,0,0,0|3,0,0]=4 161 B8R1.8 FCSc1nncs1 62a_100000739804_100015361967 [1,0,0,0,0,0|3,0,0]=4 162 B8R1.8 FCSc1nncs1 62a_100015361967_100000739804 [1,0,0,0,0,0|3,0,0]=4 163 B8R1.8 [13CH3]NCc1ccco1 2230a_100000185738_200025704644 [1,0,0,0,0,0|2,1,0]=4 164 B8R1.8 [13CH3]NCc1ccco1 34a_100000185738_200025704644 [1,0,0,0,0,0|2,1,0]=4 165 B8R1.8 [13CH3]NCc1cccs1 2230a_100000211653_200025704644 [1,0,0,0,0,0|2,0,0]=3 166 B8R1.8 [13CH3]NCc1cncs1 2230a_100016987365_200025704644 [1,0,0,0,0,0|3,0,0]=4 167 B8R1.8 [13CH3]NCc1cscn1 2230a_100015185402_200025704644 [1,0,0,0,0,0|3,0,0]=4 168 B8R1.8 [13CH3]NCc1ncco1 2230a_100016994969_200025704644 [1,0,0,0,0,0|1,1,0]=3 169 B8R1.8 [13CH3]NCc1nccs1 2230a_100000740555_200025704644 [1,0,0,0,0,0|1,0,0]=2 170 B8R1.8 [13CH3]NCc1nnc[nH]1 2230a_200015183720_200025704644 [1,0,0,0,0,0|3,0,0]=4 171 B8R1.8 [13CH3]OCc1ccco1 34a_100000210059_200025704644 [1,0,0,0,0,0|2,1,0]=4 172 B8R1.8 [13CH3]OCc1cccs1 34a_100000211240_200025704644 [1,0,0,0,0,0|2,0,0]=3 173 B8R1.8 [13CH3]OCc1ncco1 34a_100000062594_200025704644 [1,0,0,0,0,0|1,1,0]=3 174 B8R1.8 [13CH3]OCn1cccn1 34a_100000731028_200025704644 [1,0,0,0,0,0|3,0,0]=4 175 B8R1.8 [13CH3]SCc1c[nH]cn1 62a_100000707719_200025704644 [1,0,0,0,0,0|3,0,0]=4 176 B8R1.8 [13CH3]SCc1c[nH]cn1 62a_200025704644_100000707719 [1,0,0,0,0,0|3,0,0]=4 177 B8R1.8 [13CH3]SCc1ccon1 62a_100000234950_200025704644 [1,0,0,0,0,0|3,0,0]=4 178 B8R1.8 [13CH3]SCc1ccon1 62a_200025704644_100000234950 [1,0,0,0,0,0|3,0,0]=4 179 B8R1.8 [13CH3]SCc1cncs1 62a_100015185245_200025704644 [1,0,0,0,0,0|3,0,0]=4 180 B8R1.8 [13CH3]SCc1cncs1 62a_200025704644_100015185245 [1,0,0,0,0,0|3,0,0]=4 181 B8R1.8 [13CH3]SCc1cscn1 62a_100000205941_200025704644 [1,0,0,0,0,0|3,0,0]=4 182 B8R1.8 [13CH3]SCc1cscn1 62a_200025704644_100000205941 [1,0,0,0,0,0|3,0,0]=4 183 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_100016991755_200025704644 [1,0,0,0,0,0|2,0,0]=3 184 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_200025704644_100016991755 [1,0,0,0,0,0|2,0,0]=3 185 B8R1.8 [13CH3]SCc1ncco1 62a_103436540062_200025704644 [1,0,0,0,0,0|1,1,0]=3 186 B8R1.8 [13CH3]SCc1ncco1 62a_200025704644_103436540062 [1,0,0,0,0,0|1,1,0]=3 187 B8R1.8 [13CH3]SCc1nccs1 62a_100015184050_200025704644 [1,0,0,0,0,0|1,0,0]=2 188 B8R1.8 [13CH3]SCc1nccs1 62a_200025704644_100015184050 [1,0,0,0,0,0|1,0,0]=2 189 B8R1.8 [13CH3]SCc1ncon1 62a_100000233494_200025704644 [1,0,0,0,0,0|3,0,0]=4 190 B8R1.8 [13CH3]SCc1ncon1 62a_200025704644_100000233494 [1,0,0,0,0,0|3,0,0]=4 191 B10R1.6 CC(C)(N[13CH3])c1cccs1 2230a_100000757009_200025704644 [0,1,0,0,0,0|2,0,0]=3 192 B10R1.6 CC(C)(O[13CH3])c1cccs1 7a_100011410533_200025704644 [0,1,0,0,0,0|2,0,0]=3 193 B10R1.6 CC(C)(O[13CH3])c1nccs1 7a_200009882240_200025704644 [0,1,0,0,0,0|1,0,0]=2 194 B10R1.6 CCC(C)(C)N1CC=CC1 269982a_100015195280_100000032637 [0,1,0,0,0,0|3,0,0]=4 195 B10R1.6 CNC(C)(C)c1cccs1 2230a_100000757009_200000210301 [0,1,0,0,0,0|2,0,0]=3 196 B10R1.6 COC(C)(C)c1cccs1 7a_100011410533_200000210301 [0,1,0,0,0,0|2,0,0]=3 197 B10R1.6 COC(C)(C)c1nccs1 7a_200009882240_200000210301 [0,1,0,0,0,0|1,0,0]=2 198 B10R1.9 CCC(CC)N1CC=CC1 269982a_100015195280_100000210505 [0,1,0,0,0,0|3,0,0]=4 199 B10R1.9 CCC(NC)c1ccc[nH]1 269862a_106832991636_200000242565 [0,1,0,0,0,0|1,0,1]=3 200 B10R1.9 CCC(NC)c1ccco1 2230a_100015202707_200000210301 [0,1,0,0,0,0|1,1,0]=3 201 B10R1.9 CCC(NC)c1ccco1 269862a_106832991636_100000749595 [0,1,0,0,0,0|1,1,0]=3 202 B10R1.9 CCC(NC)c1cccs1 2230a_100000743277_200000210301 [0,1,0,0,0,0|1,0,0]=2 203 B10R1.9 CCC(NC)c1cccs1 269862a_106832991636_100000211688 [0,1,0,0,0,0|1,0,0]=2 204 B10R1.9 CCC(NC)c1nccs1 2230a_103436540099_200000210301 [0,1,0,0,0,0|0,0,0]=1 205 B10R1.9 CCC(NC)c1nccs1 269862a_106832991636_100000031915 [0,1,0,0,0,0|0,0,0]=1 206 B10R1.9 CCC(N[13CH3])c1ccco1 2230a_100015202707_200025704644 [0,1,0,0,0,0|1,1,0]=3 207 B10R1.9 CCC(N[13CH3])c1cccs1 2230a_100000743277_200025704644 [0,1,0,0,0,0|1,0,0]=2 208 B10R1.9 CCC(N[13CH3])c1nccs1 2230a_103436540099_200025704644 [0,1,0,0,0,0|0,0,0]=1 209 B10R1.9 CCN(CC)c1ncns1 27a_100000724800_100000693119 [0,1,0,0,0,0|2,0,0]=3 210 B10R1.9 CCN(CC)c1nncs1 27a_100000724800_100000739804 [0,1,0,0,0,0|2,0,0]=3 211 B10R1.9 CNC(CO)c1cccs1 2230a_100102422791_200000210301 [0,1,0,0,0,0|2,0,0]=3 212 B10R1.9 CN[C@@H](CO)c1nccs1 2230a_202495363701_200000210301 [0,1,0,0,0,0|1,0,0]=2 213 B10R1.9 COC(CN)c1ccco1 34a_100000738650_200000210301 [0,1,0,0,0,0|2,1,0]=4 214 B10R1.9 [13CH3]NC(CO)c1cccs1 2230a_100102422791_200025704644 [0,1,0,0,0,0|2,0,0]=3 215 B10R1.9 [13CH3]N[C@@H](CO)c1nccs1 2230a_202495363701_200025704644 [0,1,0,0,0,0|1,0,0]=2 216 B10R1.9 [13CH3]OC(CN)c1ccco1 34a_100000738650_200025704644 [0,1,0,0,0,0|2,1,0]=4 217 B10R1.11 C#CCN(C)c1ncns1 27a_100000225692_100000693119 [0,1,0,0,0,0|2,0,1]=4 218 B10R1.11 C#CCN(C)c1nncs1 27a_100000225692_100000739804 [0,1,0,0,0,0|2,0,1]=4 219 B10R1.11 CC(CCO)N1CC=CC1 269982a_100015195280_100009893172 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.11 CC(CO[13CH3])n1cccn1 34a_100011935049_200025704644 [0,1,0,0,0,0|2,0,0]=3 221 B10R1.11 CC(CO[13CH3])n1cncn1 34a_100012017348_200025704644 [0,1,0,0,0,0|3,0,0]=4 222 B10R1.11 CC(CS[13CH3])n1cncn1 62a_200015185000_200025704644 [0,1,0,0,0,0|3,0,0]=4 223 B10R1.11 CC(CS[13CH3])n1cncn1 62a_200025704644_200015185000 [0,1,0,0,0,0|3,0,0]=4 224 B10R1.11 CC(OCF)c1nccs1 7a_100000751044_100015361967 [0,1,0,0,0,0|1,0,0]=2 225 B10R1.11 CCCC(C)N1CC=CC1 269982a_100015195280_100000766640 [0,1,0,0,0,0|3,0,0]=4 226 B10R1.11 CCCN(C)c1ncns1 27a_100000747261_100000693119 [0,1,0,0,0,0|2,0,0]=3 227 B10R1.11 CCCN(C)c1nncs1 27a_100000747261_100000739804 [0,1,0,0,0,0|2,0,0]=3 228 B10R1.11 CCNC(C)c1cc[nH]c1 269862a_100015525214_100000753940 [0,1,0,0,0,0|3,0,0]=4 229 B10R1.11 CCNC(C)c1ccc[nH]1 269862a_100015525214_100000183661 [0,1,0,0,0,0|1,0,1]=3 230 B10R1.11 CCNC(C)c1cccs1 2230a_100000703493_100000210202 [0,1,0,0,0,0|1,0,0]=2 231 B10R1.11 CCNC(C)c1cccs1 269862a_100015525214_100000185736 [0,1,0,0,0,0|1,0,0]=2 232 B10R1.11 CCNC(C)c1ccn[nH]1 269862a_100015525214_100000747476 [0,1,0,0,0,0|2,0,1]=4 233 B10R1.11 CCNC(C)c1ccoc1 2230a_100000690049_100000210202 [0,1,0,0,0,0|3,0,0]=4 234 B10R1.11 CCNC(C)c1ccsc1 2230a_100000748604_100000210202 [0,1,0,0,0,0|3,0,0]=4 235 B10R1.11 CCNC(C)c1ccsc1 269862a_100015525214_100000747891 [0,1,0,0,0,0|3,0,0]=4 236 B10R1.11 CCNC(C)c1cscn1 269862a_100015525214_100000693406 [0,1,0,0,0,0|2,0,0]=3 237 B10R1.11 CCNC(C)c1ncc[nH]1 269862a_100015525214_100000718901 [0,1,0,0,0,0|1,0,0]=2 238 B10R1.11 CCNC(C)c1nccs1 2230a_100000725601_100000210202 [0,1,0,0,0,0|0,0,0]=1 239 B10R1.11 CCN[C@H](C)c1ccco1 2230a_100160469435_100000210202 [0,1,0,0,0,0|1,1,0]=3 240 B10R1.11 CCOC(C)c1ccsc1 34a_100011350980_100000210202 [0,1,0,0,0,0|3,0,0]=4 241 B10R1.11 CCOC(C)c1ccsc1 7a_100011350980_100000210202 [0,1,0,0,0,0|3,0,0]=4 242 B10R1.11 CCOC(C)c1nccs1 7a_100000751044_100000210202 [0,1,0,0,0,0|0,0,0]=1 243 B10R1.11 CCO[C@@H](C)c1ccco1 34a_100000755270_100000210202 [0,1,0,0,0,0|1,1,0]=3 244 B10R1.11 CCO[C@@H](C)c1ccco1 7a_100000755270_100000210202 [0,1,0,0,0,0|1,1,0]=3 245 B10R1.11 CCO[C@H](C)c1cccs1 7a_100000750433_100000210202 [0,1,0,0,0,0|1,0,0]=2 246 B10R1.11 CN(CCO)c1ncns1 27a_100000210263_100000693119 [0,1,0,0,0,0|2,0,0]=3 247 B10R1.11 CN(CCO)c1nncs1 27a_100000210263_100000739804 [0,1,0,0,0,0|2,0,0]=3 248 B10R1.11 CNCC(=O)c1cccs1 2230a_106832991635_100000211436 [0,1,0,0,0,0|2,0,1]=4 249 B10R1.11 CNCC(=O)c1cccs1 7a_106832991635_100000211436 [0,1,0,0,0,0|2,0,1]=4 250 B10R1.11 CNCC(=O)c1nccs1 7a_106832991635_100000718653 [0,1,0,0,0,0|1,0,1]=3 251 B10R1.11 CNCC(C)n1cncn1 2230a_106832991635_200015185000 [0,1,0,0,0,0|3,0,0]=4 252 B10R1.11 CNCC(C)n1cncn1 34a_100102657272_200015185000 [0,1,0,0,0,0|3,0,0]=4 253 B10R1.11 CNCC(C)n1cncn1 7a_106832991635_200015185000 [0,1,0,0,0,0|3,0,0]=4 254 B10R1.11 CNCC(O)c1ccco1 2230a_100000738650_200000210301 [0,1,0,0,0,0|2,1,0]=4 255 B10R1.11 COCC(C)N1CC=CC1 269982a_100015195280_100000765312 [0,1,0,0,0,0|3,0,0]=4 256 B10R1.11 COCC(C)n1cccn1 34a_100011935049_200000210301 [0,1,0,0,0,0|2,0,0]=3 257 B10R1.11 COCC(C)n1cncn1 34a_100012017348_200000210301 [0,1,0,0,0,0|3,0,0]=4 258 B10R1.11 COCC(C)n1cncn1 34a_100138415774_200015185000 [0,1,0,0,0,0|3,0,0]=4 259 B10R1.11 COCC(N)c1cccs1 34a_100102422791_200000210301 [0,1,0,0,0,0|2,0,0]=3 260 B10R1.11 CSCC(=O)c1cccs1 62a_100000211436_200000210301 [0,1,0,0,0,0|2,0,1]=4 261 B10R1.11 CSCC(=O)c1cccs1 62a_200000210301_100000211436 [0,1,0,0,0,0|2,0,1]=4 262 B10R1.11 CSCC(=O)c1nccs1 62a_100000718653_200000210301 [0,1,0,0,0,0|1,0,1]=3 263 B10R1.11 CSCC(=O)c1nccs1 62a_200000210301_100000718653 [0,1,0,0,0,0|1,0,1]=3 264 B10R1.11 CSCC(C)n1cncn1 62a_200000210301_200015185000 [0,1,0,0,0,0|3,0,0]=4 265 B10R1.11 CSCC(C)n1cncn1 62a_200015185000_200000210301 [0,1,0,0,0,0|3,0,0]=4 266 B10R1.11 C[C@@H](OCF)c1cccs1 7a_100000750433_100015361967 [0,1,0,0,0,0|2,0,0]=3 267 B10R1.11 C[C@H](OCF)c1ccco1 34a_100000755270_100015361967 [0,1,0,0,0,0|2,1,0]=4 268 B10R1.11 C[C@H](OCF)c1ccco1 7a_100000755270_100015361967 [0,1,0,0,0,0|2,1,0]=4 269 B10R1.11 [13CH3]NCC(O)c1ccco1 2230a_100000738650_200025704644 [0,1,0,0,0,0|2,1,0]=4 270 B10R1.11 [13CH3]OCC(N)c1cccs1 34a_100102422791_200025704644 [0,1,0,0,0,0|2,0,0]=3 271 B10R1.11 [13CH3]SCC(=O)c1cccs1 62a_100000211436_200025704644 [0,1,0,0,0,0|2,0,1]=4 272 B10R1.11 [13CH3]SCC(=O)c1cccs1 62a_200025704644_100000211436 [0,1,0,0,0,0|2,0,1]=4 273 B10R1.11 [13CH3]SCC(=O)c1nccs1 62a_100000718653_200025704644 [0,1,0,0,0,0|1,0,1]=3 274 B10R1.11 [13CH3]SCC(=O)c1nccs1 62a_200025704644_100000718653 [0,1,0,0,0,0|1,0,1]=3 275 B10R1.14 CC(N[13CH3])c1cc(cs1)Br 2230a_100159270200_200025704644 [0,1,0,0,0,0|2,0,0]=3 276 B10R1.14 CC(N[13CH3])c1cc(cs1)Br 34a_100159270200_200025704644 [0,1,0,0,0,0|2,0,0]=3 277 B10R1.14 CC(N[13CH3])c1ccc(s1)Br 2230a_100102723530_200025704644 [0,1,0,0,0,0|2,0,0]=3 278 B10R1.14 CC(N[13CH3])c1ccc(s1)Cl 2230a_100102723459_200025704644 [0,1,0,0,0,0|2,0,0]=3 279 B10R1.14 CC(O[13CH3])c1ccn(n1)C 34a_100012178569_200025704644 [0,1,0,0,0,0|3,0,0]=4 280 B10R1.14 CCC(=O)c1ccc(s1)O 271570a_203496583355_200011203577 [0,1,0,0,0,0|2,0,1]=4 281 B10R1.14 CCC(C)c1nc(no1)C 270196a_100000212224_100011192722 [0,1,0,0,0,0|1,1,0]=3 282 B10R1.14 CCC(C)c1noc(n1)C 270196a_100000752268_100000070787 [0,1,0,0,0,0|2,0,0]=3 283 B10R1.14 CCC(C)c1noc(n1)O 270196a_100000752268_100015183105 [0,1,0,0,0,0|2,0,0]=3 284 B10R1.14 CCC(C)n1cc(nn1)C 274090a_100000758301_200000242740 [0,1,0,0,0,0|3,0,0]=4 285 B10R1.14 CCC(O)c1nc(no1)C 270196a_100000212224_100011196387 [0,1,0,0,0,0|2,1,0]=4 286 B10R1.14 CNC(C)c1cc(cs1)Br 2230a_100159270200_200000210301 [0,1,0,0,0,0|2,0,0]=3 287 B10R1.14 CNC(C)c1cc(cs1)Br 269862a_106832991636_100000718618 [0,1,0,0,0,0|2,0,0]=3 288 B10R1.14 CNC(C)c1cc(cs1)Br 34a_100159270200_200000210301 [0,1,0,0,0,0|2,0,0]=3 289 B10R1.14 CNC(C)c1cc(cs1)C 269862a_106832991636_100000034720 [0,1,0,0,0,0|2,0,0]=3 290 B10R1.14 CNC(C)c1cc(cs1)Cl 269862a_106832991636_100000061699 [0,1,0,0,0,0|2,0,0]=3 291 B10R1.14 CNC(C)c1cc(on1)C 269862a_106832991636_100000723125 [0,1,0,0,0,0|3,0,0]=4 292 B10R1.14 CNC(C)c1ccc([nH]1)Br 269862a_106832991636_200010494458 [0,1,0,0,0,0|2,0,1]=4 293 B10R1.14 CNC(C)c1ccc(o1)C 269862a_106832991636_100000204583 [0,1,0,0,0,0|2,1,0]=4 294 B10R1.14 CNC(C)c1ccc(s1)Br 2230a_100102723530_200000210301 [0,1,0,0,0,0|2,0,0]=3 295 B10R1.14 CNC(C)c1ccc(s1)Br 269862a_106832991636_100000183331 [0,1,0,0,0,0|2,0,0]=3 296 B10R1.14 CNC(C)c1ccc(s1)C 269862a_106832991636_100000195387 [0,1,0,0,0,0|2,0,0]=3 297 B10R1.14 CNC(C)c1ccc(s1)Cl 2230a_100102723459_200000210301 [0,1,0,0,0,0|2,0,0]=3 298 B10R1.14 CNC(C)c1ccc(s1)Cl 269862a_106832991636_100000182421 [0,1,0,0,0,0|2,0,0]=3 299 B10R1.14 CNC(C)c1ccc(s1)I 269862a_106832991636_200000034408 [0,1,0,0,0,0|2,0,0]=3 300 B10R1.14 CNC(C)c1csc(n1)C 2230a_100000753491_200000210301 [0,1,0,0,0,0|3,0,0]=4 301 B10R1.14 CNC(C)c1csc(n1)C 269862a_106832991636_100000241968 [0,1,0,0,0,0|3,0,0]=4 302 B10R1.14 CNC(C)c1nc(c[nH]1)C 2230a_103496583476_200000210301 [0,1,0,0,0,0|2,0,0]=3 303 B10R1.14 CNC(C)c1nc(co1)C 270004a_106832991635_100009826828 [0,1,0,0,0,0|1,1,0]=3 304 B10R1.14 CNC(C)c1nc(cs1)C 2230a_100015185622_200000210301 [0,1,0,0,0,0|1,0,0]=2 305 B10R1.14 CNC(C)c1nc(cs1)C 269862a_106832991636_100011857357 [0,1,0,0,0,0|1,0,0]=2 306 B10R1.14 CNC(C)c1ncc(s1)C 269862a_106832991636_100011857370 [0,1,0,0,0,0|1,0,0]=2 307 B10R1.14 CNC(C)c1nnc([nH]1)C 2230a_100000729279_200000210301 [0,1,0,0,0,0|3,0,0]=4 308 B10R1.14 COC(=O)c1nc(cs1)O 271570a_203496583355_100012360158 [0,1,0,0,0,0|2,0,1]=4 309 B10R1.14 COC(=O)c1ncc(s1)O 271570a_203496583355_100010191244 [0,1,0,0,0,0|2,0,1]=4 310 B10R1.14 COC(C)c1ccn(n1)C 34a_100012178569_200000210301 [0,1,0,0,0,0|3,0,0]=4 311 B10R1.14 COC(C)c1nc(no1)C 270196a_100000212224_100000743197 [0,1,0,0,0,0|2,1,0]=4 312 B10R1.14 COC(C)c1noc(n1)C 270196a_100000684522_100000070787 [0,1,0,0,0,0|3,0,0]=4 313 B10R1.14 COC(C)c1noc(n1)O 270196a_100000684522_100015183105 [0,1,0,0,0,0|3,0,0]=4 314 B10R1.14 CSC(C)c1nc(no1)C 270196a_100000212224_100000149566 [0,1,0,0,0,0|2,1,0]=4 315 B10R1.14 Cc1c[nH]c(n1)C(C)N[13CH3] 2230a_103496583476_200025704644 [0,1,0,0,0,0|2,0,0]=3 316 B10R1.14 Cc1csc(n1)C(C)N[13CH3] 2230a_100015185622_200025704644 [0,1,0,0,0,0|1,0,0]=2 317 B10R1.14 Cc1nc(cs1)C(C)N[13CH3] 2230a_100000753491_200025704644 [0,1,0,0,0,0|3,0,0]=4 318 B10R1.14 Cc1nnc([nH]1)C(C)N[13CH3] 2230a_100000729279_200025704644 [0,1,0,0,0,0|3,0,0]=4 319 B10R1.23 CC(=C(C)c1cccs1)C 271570a_200000049429_100011215356 [0,1,0,0,0,0|1,0,2]=4 320 B10R1.23 CC(=C(C)c1ncc[nH]1)C 271570a_200000049429_100025796157 [0,1,0,0,0,0|1,0,2]=4 321 B10R1.23 CC(=C(C)c1ncco1)C 271570a_200000049429_100011787736 [0,1,0,0,0,0|0,1,2]=4 322 B10R1.23 CC(=C(C)c1nccs1)C 271570a_200000049429_100000211983 [0,1,0,0,0,0|0,0,2]=3 323 B10R1.23 CC(=C(C)c1ncns1)C 271570a_200000049429_100000693119 [0,1,0,0,0,0|1,0,2]=4 324 B10R1.23 CC(=C(C)c1nncs1)C 271570a_200000049429_100000739804 [0,1,0,0,0,0|1,0,2]=4 325 B10R1.23 CC(C)N(C)c1ncns1 27a_200000211004_100000693119 [0,1,0,0,0,0|2,0,0]=3 326 B10R1.23 CC(C)N(C)c1nncs1 27a_200000211004_100000739804 [0,1,0,0,0,0|2,0,0]=3 327 B10R1.23 CC(c1ccco1)N(C)C 2230a_100000232712_200000210301 [0,1,0,0,0,0|2,1,0]=4 328 B10R1.23 CC(c1ccco1)N(C)C 269982a_100000232712_200000210301 [0,1,0,0,0,0|2,1,0]=4 329 B10R1.23 CC(c1ccco1)N(C)[13CH3] 2230a_100000232712_200025704644 [0,1,0,0,0,0|2,1,0]=4 330 B10R1.23 CC(c1ccco1)N(C)[13CH3] 269982a_100000232712_200025704644 [0,1,0,0,0,0|2,1,0]=4 331 B10R1.23 CC(c1cccs1)N(C)C 2230a_100000186410_200000210301 [0,1,0,0,0,0|2,0,0]=3 332 B10R1.23 CC(c1cccs1)N(C)C 269982a_100000186410_200000210301 [0,1,0,0,0,0|2,0,0]=3 333 B10R1.23 CC(c1cccs1)N(C)[13CH3] 2230a_100000186410_200025704644 [0,1,0,0,0,0|2,0,0]=3 334 B10R1.23 CC(c1cccs1)N(C)[13CH3] 269982a_100000186410_200025704644 [0,1,0,0,0,0|2,0,0]=3 335 B10R1.23 CC(c1nccs1)N(C)C 2230a_103437849288_200000210301 [0,1,0,0,0,0|1,0,0]=2 336 B10R1.23 CC(c1nccs1)N(C)C 269982a_103437849288_200000210301 [0,1,0,0,0,0|1,0,0]=2 337 B10R1.23 CC(c1nccs1)N(C)[13CH3] 2230a_103437849288_200025704644 [0,1,0,0,0,0|1,0,0]=2 338 B10R1.23 CC(c1nccs1)N(C)[13CH3] 269982a_103437849288_200025704644 [0,1,0,0,0,0|1,0,0]=2 339 B10R1.149 CC(N[13CH3])c1ncnn1C 2230a_100000717668_200025704644 [0,1,0,0,0,0|3,0,0]=4 340 B10R1.149 CC(N[13CH3])c1nncn1C 2230a_100000740431_200025704644 [0,1,0,0,0,0|3,0,0]=4 341 B10R1.149 CNC(C)c1cccn1C 269862a_106832991636_100000709046 [0,1,0,0,0,0|2,0,1]=4 342 B10R1.149 CNC(C)c1nccn1C 269862a_106832991636_100000756116 [0,1,0,0,0,0|2,0,0]=3 343 B10R1.149 CNC(C)c1ncnn1C 2230a_100000717668_200000210301 [0,1,0,0,0,0|3,0,0]=4 344 B10R1.149 CNC(C)c1ncsc1C 2230a_100020603492_200000210301 [0,1,0,0,0,0|3,0,0]=4 345 B10R1.149 CNC(C)c1nncn1C 2230a_100000740431_200000210301 [0,1,0,0,0,0|3,0,0]=4 346 B10R1.149 CNC(C)c1sccc1Br 269862a_106832991636_100000738688 [0,1,0,0,0,0|2,0,0]=3 347 B10R1.149 Cc1scnc1C(C)N[13CH3] 2230a_100020603492_200025704644 [0,1,0,0,0,0|3,0,0]=4 348 B8R0.3 C=CCC(=O)C(C)CC 1458a_100000210193_100000758301 [0,0,1,0,0,0|1,1,0]=3 349 B8R0.3 C=CCC(=O)C(C)CC 1458a_100011192722_100000210623 [0,0,1,0,0,0|1,1,0]=3 350 B8R0.3 C=CCC(=O)C(C)OC 1458a_100000743197_100000210623 [0,0,1,0,0,0|2,1,0]=4 351 B8R0.3 C=CCC(=O)C(C)SC 1458a_100000149566_100000210623 [0,0,1,0,0,0|2,1,0]=4 352 B8R0.3 C=CCC(=O)C(O)CC 1458a_100011196387_100000210623 [0,0,1,0,0,0|2,1,0]=4 353 B8R0.3 C=CCC(=O)N(C)CC 11a_100000225621_100000210193 [0,0,1,0,0,0|2,1,0]=4 354 B8R0.3 C=CCC(=O)N(C)CC 1626a_100000225621_100000210193 [0,0,1,0,0,0|2,1,0]=4 355 B8R0.3 C=CCC(=O)N(C)CC 240690a_100000225621_100000210193 [0,0,1,0,0,0|2,1,0]=4 356 B8R0.3 C=CCC(=O)N(C)CC 527a_100000225621_100000210193 [0,0,1,0,0,0|2,1,0]=4 357 B8R0.3 C=CCN(C)C(C)CC 2230a_100000225617_100000758301 [0,0,1,0,0,0|3,0,0]=4 358 B8R0.3 C=CCN(C)C(C)CC 2230a_100000741768_100000210623 [0,0,1,0,0,0|3,0,0]=4 359 B8R0.3 C=CCN(C)C(C)CC 269982a_100000225617_100000758301 [0,0,1,0,0,0|3,0,0]=4 360 B8R0.3 C=CCN(C)C(C)CC 269982a_100000741768_100000210623 [0,0,1,0,0,0|3,0,0]=4 361 B8R0.3 CC=CC(=O)C(C)CC 1458a_100000210699_100000758301 [0,0,1,0,0,0|1,1,1]=4 362 B8R0.3 CCC(C)C(=O)C=CBr 1458a_100016273825_100000758301 [0,0,1,0,0,0|2,1,0]=4 363 B8R0.3 CCC(C)C(=O)C=CCl 1458a_200016279998_100000758301 [0,0,1,0,0,0|2,1,0]=4 364 B8R0.3 CCC(C)C(=O)C=CI 1458a_100016256311_100000758301 [0,0,1,0,0,0|2,1,0]=4 365 B8R0.6 C/C=C/COC(C)CC 34a_100016270725_100011215416 [0,0,1,0,0,0|3,0,0]=4 366 B8R0.6 C/C=C/COC(C)CC 7a_100000210228_100102629194 [0,0,1,0,0,0|3,0,0]=4 367 B8R0.6 C/C=C/CSC(C)CC 62a_100000758301_100102629194 [0,0,1,0,0,0|3,0,0]=4 368 B8R0.6 C/C=C/CSC(C)CC 62a_100102629194_100000758301 [0,0,1,0,0,0|3,0,0]=4 369 B8R0.6 C=CCSCC(C)CC 62a_100000210623_100000748023 [0,0,1,0,0,0|1,0,2]=4 370 B8R0.6 C=CCSCC(C)CC 62a_100000748023_100000210623 [0,0,1,0,0,0|1,0,2]=4 371 B8R0.6 C=CCSC[C@@H](C)CC 62a_100000210623_100009816398 [0,0,1,0,0,0|1,0,2]=4 372 B8R0.6 C=CCSC[C@@H](C)CC 62a_100009816398_100000210623 [0,0,1,0,0,0|1,0,2]=4 373 B8R0.6 CC=CCNC(C)CC 2230a_100000209981_100000070051 [0,0,1,0,0,0|3,0,0]=4 374 B8R0.6 CC=CCOC(C)CC 7a_100000210228_100000070051 [0,0,1,0,0,0|3,0,0]=4 375 B8R0.6 CC=CCSC(C)CC 62a_100000070051_100000758301 [0,0,1,0,0,0|3,0,0]=4 376 B8R0.6 CC=CCSC(C)CC 62a_100000758301_100000070051 [0,0,1,0,0,0|3,0,0]=4 377 B8R0.6 CCC(C)CSCC=O 62a_100000748023_200015260668 [0,0,1,0,0,0|1,0,2]=4 378 B8R0.6 CCC(C)CSCC=O 62a_200015260668_100000748023 [0,0,1,0,0,0|1,0,2]=4 379 B8R0.6 CCC=NNC(C)CC 4a_100000718999_100000210100 [0,0,1,0,0,0|2,0,1]=4 380 B8R0.6 CCNN=CC(C)CC 4a_100000756455_100000243153 [0,0,1,0,0,0|2,0,1]=4 381 B8R0.6 CC[C@H](C)CSCC=O 62a_100009816398_200015260668 [0,0,1,0,0,0|1,0,2]=4 382 B8R0.6 CC[C@H](C)CSCC=O 62a_200015260668_100009816398 [0,0,1,0,0,0|1,0,2]=4 383 B10R2.136 C1=CCN(C1)C2CCC2 269982a_100015195280_100000749161 [0,0,0,1,0,0|3,0,0]=4 384 B10R2.136 c1nnc(s1)N2CCC2 27a_100000754969_100000739804 [0,0,0,1,0,0|2,0,0]=3 385 B10R2.136 c1nsc(n1)N2CCC2 27a_100000754969_100000693119 [0,0,0,1,0,0|2,0,0]=3 386 B10R1.15 CC(N[13CH3])c1ccccn1 2230a_100000181244_200025704644 [0,0,0,0,0,1|2,0,0]=3 387 B10R1.15 CC(N[13CH3])c1cccnc1 2230a_100000195435_200025704644 [0,0,0,0,0,1|2,0,0]=3 388 B10R1.15 CC(N[13CH3])c1ccncc1 2230a_100000181269_200025704644 [0,0,0,0,0,1|3,0,0]=4 389 B10R1.15 CC(N[13CH3])c1ncccn1 2230a_100020641698_200025704644 [0,0,0,0,0,1|2,0,0]=3 390 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [0,0,0,0,0,1|3,0,0]=4 391 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [0,0,0,0,0,1|3,0,0]=4 392 B10R1.15 CC(S[13CH3])c1cnccn1 62a_200000703233_200025704644 [0,0,0,0,0,1|2,0,0]=3 393 B10R1.15 CC(S[13CH3])c1cnccn1 62a_200025704644_200000703233 [0,0,0,0,0,1|2,0,0]=3 394 B10R1.15 CCC(C)N1CC=CCC1 2230a_100000698166_100000758301 [0,0,0,0,0,1|3,0,0]=4 395 B10R1.15 CCC(C)N1CC=CCC1 269982a_100000698166_100000758301 [0,0,0,0,0,1|3,0,0]=4 396 B10R1.15 CCC(C)N1CC=CCC1 34a_100000698166_100011215416 [0,0,0,0,0,1|3,0,0]=4 397 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [0,0,0,0,0,1|3,0,0]=4 398 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [0,0,0,0,0,1|3,0,0]=4 399 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [0,0,0,0,0,1|3,0,0]=4 400 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [0,0,0,0,0,1|3,0,0]=4 401 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [0,0,0,0,0,1|3,0,0]=4 402 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [0,0,0,0,0,1|3,0,0]=4 403 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [0,0,0,0,0,1|3,0,0]=4 404 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [0,0,0,0,0,1|3,0,0]=4 405 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [0,0,0,0,0,1|3,0,0]=4 406 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [0,0,0,0,0,1|3,0,0]=4 407 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [0,0,0,0,0,1|3,0,0]=4 408 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [0,0,0,0,0,1|3,0,0]=4 409 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [0,0,0,0,0,1|3,0,0]=4 410 B10R1.15 CNC(C)c1ccccn1 2230a_100000181244_200000210301 [0,0,0,0,0,1|2,0,0]=3 411 B10R1.15 CNC(C)c1ccccn1 269862a_106832991636_100000210467 [0,0,0,0,0,1|2,0,0]=3 412 B10R1.15 CNC(C)c1cccnc1 2230a_100000195435_200000210301 [0,0,0,0,0,1|2,0,0]=3 413 B10R1.15 CNC(C)c1cccnc1 269862a_106832991636_100000210468 [0,0,0,0,0,1|2,0,0]=3 414 B10R1.15 CNC(C)c1cccnn1 269862a_106832991636_100009866853 [0,0,0,0,0,1|2,0,0]=3 415 B10R1.15 CNC(C)c1ccncc1 2230a_100000181269_200000210301 [0,0,0,0,0,1|3,0,0]=4 416 B10R1.15 CNC(C)c1ccncc1 269862a_106832991636_100000185792 [0,0,0,0,0,1|3,0,0]=4 417 B10R1.15 CNC(C)c1ccnnc1 269862a_106832991636_100012182992 [0,0,0,0,0,1|3,0,0]=4 418 B10R1.15 CNC(C)c1cnccn1 2230a_106832991635_200000703233 [0,0,0,0,0,1|2,0,0]=3 419 B10R1.15 CNC(C)c1cnccn1 269862a_106832991636_100000751083 [0,0,0,0,0,1|2,0,0]=3 420 B10R1.15 CNC(C)c1cnccn1 7a_106832991635_200000703233 [0,0,0,0,0,1|2,0,0]=3 421 B10R1.15 CNC(C)c1cncnc1 269862a_106832991636_100000757475 [0,0,0,0,0,1|3,0,0]=4 422 B10R1.15 CNC(C)c1ncccn1 2230a_100020641698_200000210301 [0,0,0,0,0,1|2,0,0]=3 423 B10R1.15 CNC(C)c1ncccn1 270004a_106832991635_100011350828 [0,0,0,0,0,1|2,0,0]=3 424 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [0,0,0,0,0,1|3,0,0]=4 425 B10R1.15 CN[C@H](C)c1cnccn1 2230a_100020589798_200000210301 [0,0,0,0,0,1|2,0,0]=3 426 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [0,0,0,0,0,1|3,0,0]=4 427 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [0,0,0,0,0,1|3,0,0]=4 428 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [0,0,0,0,0,1|3,0,0]=4 429 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [0,0,0,0,0,1|3,0,0]=4 430 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [0,0,0,0,0,1|3,0,0]=4 431 B10R1.15 CSC(C)c1cnccn1 62a_200000210301_200000703233 [0,0,0,0,0,1|2,0,0]=3 432 B10R1.15 CSC(C)c1cnccn1 62a_200000703233_200000210301 [0,0,0,0,0,1|2,0,0]=3 433 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [0,0,0,0,0,1|3,0,0]=4 434 B10R1.15 C[C@@H](N[13CH3])c1cnccn1 2230a_100020589798_200025704644 [0,0,0,0,0,1|2,0,0]=3 435 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [0,0,0,0,0,1|3,0,0]=4 436 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [0,0,0,0,0,1|3,0,0]=4 437 B10R1.27 C#CC(C)Nc1ncns1 27a_100000707721_100000693119 [0,0,0,0,0,1|1,0,2]=4 438 B10R1.27 C#CC(C)Nc1nncs1 27a_100000707721_100000739804 [0,0,0,0,0,1|1,0,2]=4 439 B10R1.27 C#CC(C)Sc1cccs1 62a_200000035995_100011215356 [0,0,0,0,0,1|1,0,2]=4 440 B10R1.27 C#CC(C)Sc1ncc[nH]1 62a_200000035995_100025796157 [0,0,0,0,0,1|1,0,2]=4 441 B10R1.27 C#CC(C)Sc1ncco1 62a_200000035995_100011787736 [0,0,0,0,0,1|0,1,2]=4 442 B10R1.27 C#CC(C)Sc1nccs1 62a_200000035995_100000211983 [0,0,0,0,0,1|0,0,2]=3 443 B10R1.27 C#CC(C)Sc1ncns1 62a_200000035995_100000693119 [0,0,0,0,0,1|1,0,2]=4 444 B10R1.27 C#CC(C)Sc1nncs1 62a_200000035995_100000739804 [0,0,0,0,0,1|1,0,2]=4 445 B10R1.27 C=CC(C)Sc1cccs1 62a_100011215867_100011215356 [0,0,0,0,0,1|1,0,2]=4 446 B10R1.27 C=CC(C)Sc1ncc[nH]1 62a_100011215867_100025796157 [0,0,0,0,0,1|1,0,2]=4 447 B10R1.27 C=CC(C)Sc1ncco1 62a_100011215867_100011787736 [0,0,0,0,0,1|0,1,2]=4 448 B10R1.27 C=CC(C)Sc1nccs1 62a_100011215867_100000211983 [0,0,0,0,0,1|0,0,2]=3 449 B10R1.27 C=CC(C)Sc1ncns1 62a_100011215867_100000693119 [0,0,0,0,0,1|1,0,2]=4 450 B10R1.27 C=CC(C)Sc1nncs1 62a_100011215867_100000739804 [0,0,0,0,0,1|1,0,2]=4 451 B10R1.27 CC(=Cc1nccs1)C#N 6a_100000750902_200000212204 [0,0,0,0,0,1|1,0,2]=4 452 B10R1.27 CC(C#N)Sc1cccs1 62a_100000703298_100011215356 [0,0,0,0,0,1|2,0,1]=4 453 B10R1.27 CC(C#N)Sc1cccs1 62a_100011215356_100000703298 [0,0,0,0,0,1|2,0,1]=4 454 B10R1.27 CC(C#N)Sc1ncc[nH]1 62a_100000703298_100025796157 [0,0,0,0,0,1|2,0,1]=4 455 B10R1.27 CC(C#N)Sc1ncc[nH]1 62a_100025796157_100000703298 [0,0,0,0,0,1|2,0,1]=4 456 B10R1.27 CC(C#N)Sc1ncco1 62a_100000703298_100011787736 [0,0,0,0,0,1|1,1,1]=4 457 B10R1.27 CC(C#N)Sc1ncco1 62a_100011787736_100000703298 [0,0,0,0,0,1|1,1,1]=4 458 B10R1.27 CC(C#N)Sc1nccs1 62a_100000211983_100000703298 [0,0,0,0,0,1|1,0,1]=3 459 B10R1.27 CC(C#N)Sc1nccs1 62a_100000703298_100000211983 [0,0,0,0,0,1|1,0,1]=3 460 B10R1.27 CC(C#N)Sc1ncns1 62a_100000693119_100000703298 [0,0,0,0,0,1|2,0,1]=4 461 B10R1.27 CC(C#N)Sc1ncns1 62a_100000703298_100000693119 [0,0,0,0,0,1|2,0,1]=4 462 B10R1.27 CC(C#N)Sc1nncs1 62a_100000703298_100000739804 [0,0,0,0,0,1|2,0,1]=4 463 B10R1.27 CC(C#N)Sc1nncs1 62a_100000739804_100000703298 [0,0,0,0,0,1|2,0,1]=4 464 B10R1.27 CC(CO)Sc1c[nH]cn1 62a_100012180447_100000756875 [0,0,0,0,0,1|3,0,0]=4 465 B10R1.27 CC(CO)Sc1cc[nH]n1 62a_100012180447_100000062575 [0,0,0,0,0,1|3,0,0]=4 466 B10R1.27 CC(CO)Sc1ccco1 62a_100012180447_100009814098 [0,0,0,0,0,1|2,1,0]=4 467 B10R1.27 CC(CO)Sc1cccs1 62a_100012180447_100011215356 [0,0,0,0,0,1|2,0,0]=3 468 B10R1.27 CC(CO)Sc1ccon1 62a_100012180447_100009818083 [0,0,0,0,0,1|3,0,0]=4 469 B10R1.27 CC(CO)Sc1ccsn1 62a_100012180447_100009818082 [0,0,0,0,0,1|3,0,0]=4 470 B10R1.27 CC(CO)Sc1cncs1 62a_100012180447_100011934649 [0,0,0,0,0,1|3,0,0]=4 471 B10R1.27 CC(CO)Sc1cscn1 62a_100012180447_100000751502 [0,0,0,0,0,1|3,0,0]=4 472 B10R1.27 CC(CO)Sc1nc[nH]n1 62a_100012180447_100000761765 [0,0,0,0,0,1|3,0,0]=4 473 B10R1.27 CC(CO)Sc1ncc[nH]1 62a_100012180447_100025796157 [0,0,0,0,0,1|2,0,0]=3 474 B10R1.27 CC(CO)Sc1ncco1 62a_100012180447_100011787736 [0,0,0,0,0,1|1,1,0]=3 475 B10R1.27 CC(CO)Sc1nccs1 62a_100012180447_100000211983 [0,0,0,0,0,1|1,0,0]=2 476 B10R1.27 CC(CO)Sc1ncns1 62a_100012180447_100000693119 [0,0,0,0,0,1|2,0,0]=3 477 B10R1.27 CC(CO)Sc1nncs1 62a_100012180447_100000739804 [0,0,0,0,0,1|2,0,0]=3 478 B10R1.27 CC(Cc1ccco1)O[13CH3] 34a_100011803939_200025704644 [0,0,0,0,0,1|2,1,0]=4 479 B10R1.27 CC(Cc1ccco1)O[13CH3] 7a_100011803939_200025704644 [0,0,0,0,0,1|2,1,0]=4 480 B10R1.27 CC(Cc1cccs1)N[13CH3] 2230a_100000751415_200025704644 [0,0,0,0,0,1|2,0,0]=3 481 B10R1.27 CC(Cn1cccn1)N[13CH3] 2230a_100000738251_200025704644 [0,0,0,0,0,1|3,0,0]=4 482 B10R1.27 CCC(=O)Cc1cccs1 1458a_100000210189_100000210202 [0,0,0,0,0,1|2,0,1]=4 483 B10R1.27 CCC(=O)Cc1ncco1 1458a_100000210414_103436540062 [0,0,0,0,0,1|1,1,1]=4 484 B10R1.27 CCC(=O)Cc1nccs1 1458a_100000210414_100015184050 [0,0,0,0,0,1|1,0,1]=3 485 B10R1.27 CCC(C)CN1CC=CC1 269982a_100015195280_100000748023 [0,0,0,0,0,1|3,0,0]=4 486 B10R1.27 CCC(C)NC1CC=CC1 2230a_100015188752_100000758301 [0,0,0,0,0,1|2,0,1]=4 487 B10R1.27 CCC(C)Oc1ccsc1 34a_100000106738_100011215416 [0,0,0,0,0,1|3,0,0]=4 488 B10R1.27 CCC(C)Oc1ccsc1 7a_100000106738_100000758301 [0,0,0,0,0,1|3,0,0]=4 489 B10R1.27 CCC(C)Sc1c[nH]cn1 62a_100000756875_100000758301 [0,0,0,0,0,1|2,0,0]=3 490 B10R1.27 CCC(C)Sc1c[nH]cn1 62a_100000758301_100000756875 [0,0,0,0,0,1|2,0,0]=3 491 B10R1.27 CCC(C)Sc1c[nH]nn1 62a_100000758301_100009819707 [0,0,0,0,0,1|3,0,0]=4 492 B10R1.27 CCC(C)Sc1c[nH]nn1 62a_100009819707_100000758301 [0,0,0,0,0,1|3,0,0]=4 493 B10R1.27 CCC(C)Sc1cc[nH]n1 62a_100000062575_100000758301 [0,0,0,0,0,1|2,0,0]=3 494 B10R1.27 CCC(C)Sc1cc[nH]n1 62a_100000758301_100000062575 [0,0,0,0,0,1|2,0,0]=3 495 B10R1.27 CCC(C)Sc1ccco1 62a_100000758301_100009814098 [0,0,0,0,0,1|1,1,0]=3 496 B10R1.27 CCC(C)Sc1ccco1 62a_100009814098_100000758301 [0,0,0,0,0,1|1,1,0]=3 497 B10R1.27 CCC(C)Sc1cccs1 62a_100000758301_100011215356 [0,0,0,0,0,1|1,0,0]=2 498 B10R1.27 CCC(C)Sc1cccs1 62a_100011215356_100000758301 [0,0,0,0,0,1|1,0,0]=2 499 B10R1.27 CCC(C)Sc1ccoc1 62a_100000758301_100011215275 [0,0,0,0,0,1|3,0,0]=4 500 B10R1.27 CCC(C)Sc1ccoc1 62a_100011215275_100000758301 [0,0,0,0,0,1|3,0,0]=4 501 B10R1.27 CCC(C)Sc1ccon1 62a_100000758301_100009818083 [0,0,0,0,0,1|2,0,0]=3 502 B10R1.27 CCC(C)Sc1ccon1 62a_100009818083_100000758301 [0,0,0,0,0,1|2,0,0]=3 503 B10R1.27 CCC(C)Sc1ccsc1 62a_100000738268_100000758301 [0,0,0,0,0,1|3,0,0]=4 504 B10R1.27 CCC(C)Sc1ccsc1 62a_100000758301_100000738268 [0,0,0,0,0,1|3,0,0]=4 505 B10R1.27 CCC(C)Sc1ccsn1 62a_100000758301_100009818082 [0,0,0,0,0,1|2,0,0]=3 506 B10R1.27 CCC(C)Sc1ccsn1 62a_100009818082_100000758301 [0,0,0,0,0,1|2,0,0]=3 507 B10R1.27 CCC(C)Sc1cnco1 62a_100000758301_100020591547 [0,0,0,0,0,1|2,1,0]=4 508 B10R1.27 CCC(C)Sc1cnco1 62a_100020591547_100000758301 [0,0,0,0,0,1|2,1,0]=4 509 B10R1.27 CCC(C)Sc1cncs1 62a_100000758301_100011934649 [0,0,0,0,0,1|2,0,0]=3 510 B10R1.27 CCC(C)Sc1cncs1 62a_100011934649_100000758301 [0,0,0,0,0,1|2,0,0]=3 511 B10R1.27 CCC(C)Sc1cscn1 62a_100000751502_100000758301 [0,0,0,0,0,1|2,0,0]=3 512 B10R1.27 CCC(C)Sc1cscn1 62a_100000758301_100000751502 [0,0,0,0,0,1|2,0,0]=3 513 B10R1.27 CCC(C)Sc1nc[nH]n1 62a_100000758301_100000761765 [0,0,0,0,0,1|2,0,0]=3 514 B10R1.27 CCC(C)Sc1nc[nH]n1 62a_100000761765_100000758301 [0,0,0,0,0,1|2,0,0]=3 515 B10R1.27 CCC(C)Sc1ncc[nH]1 62a_100000758301_100025796157 [0,0,0,0,0,1|1,0,0]=2 516 B10R1.27 CCC(C)Sc1ncc[nH]1 62a_100025796157_100000758301 [0,0,0,0,0,1|1,0,0]=2 517 B10R1.27 CCC(C)Sc1ncco1 62a_100000758301_100011787736 [0,0,0,0,0,1|0,1,0]=2 518 B10R1.27 CCC(C)Sc1ncco1 62a_100011787736_100000758301 [0,0,0,0,0,1|0,1,0]=2 519 B10R1.27 CCC(C)Sc1nccs1 62a_100000211983_100000758301 [0,0,0,0,0,1|0,0,0]=1 520 B10R1.27 CCC(C)Sc1nccs1 62a_100000758301_100000211983 [0,0,0,0,0,1|0,0,0]=1 521 B10R1.27 CCC(C)Sc1ncns1 62a_100000693119_100000758301 [0,0,0,0,0,1|1,0,0]=2 522 B10R1.27 CCC(C)Sc1ncns1 62a_100000758301_100000693119 [0,0,0,0,0,1|1,0,0]=2 523 B10R1.27 CCC(C)Sc1nncs1 62a_100000739804_100000758301 [0,0,0,0,0,1|1,0,0]=2 524 B10R1.27 CCC(C)Sc1nncs1 62a_100000758301_100000739804 [0,0,0,0,0,1|1,0,0]=2 525 B10R1.27 CCN(C)Cc1c[nH]cn1 2230a_100000225621_100000707719 [0,0,0,0,0,1|3,0,0]=4 526 B10R1.27 CCN(C)Cc1c[nH]cn1 269982a_100000225621_100000707719 [0,0,0,0,0,1|3,0,0]=4 527 B10R1.27 CCN(C)Cc1ccco1 2230a_100000185268_100000210202 [0,0,0,0,0,1|2,1,0]=4 528 B10R1.27 CCN(C)Cc1ccco1 2230a_100000739255_200000210301 [0,0,0,0,0,1|2,1,0]=4 529 B10R1.27 CCN(C)Cc1ccco1 269982a_100000185268_100000204670 [0,0,0,0,0,1|2,1,0]=4 530 B10R1.27 CCN(C)Cc1ccco1 269982a_100000739255_200000210301 [0,0,0,0,0,1|2,1,0]=4 531 B10R1.27 CCN(C)Cc1cccs1 2230a_100000184426_100000210202 [0,0,0,0,0,1|2,0,0]=3 532 B10R1.27 CCN(C)Cc1cccs1 2230a_100025770963_200000210301 [0,0,0,0,0,1|2,0,0]=3 533 B10R1.27 CCN(C)Cc1cccs1 269982a_100000184426_100000204670 [0,0,0,0,0,1|2,0,0]=3 534 B10R1.27 CCN(C)Cc1cccs1 269982a_100025770963_200000210301 [0,0,0,0,0,1|2,0,0]=3 535 B10R1.27 CCN(C)Cc1ccon1 2230a_100000225621_100000234950 [0,0,0,0,0,1|3,0,0]=4 536 B10R1.27 CCN(C)Cc1ccon1 2230a_100000757864_100000210202 [0,0,0,0,0,1|3,0,0]=4 537 B10R1.27 CCN(C)Cc1ccon1 269982a_100000225621_100000234950 [0,0,0,0,0,1|3,0,0]=4 538 B10R1.27 CCN(C)Cc1ccon1 269982a_100000757864_100000204670 [0,0,0,0,0,1|3,0,0]=4 539 B10R1.27 CCN(C)Cc1cncs1 2230a_100000225621_100015185245 [0,0,0,0,0,1|3,0,0]=4 540 B10R1.27 CCN(C)Cc1cncs1 269982a_100000225621_100015185245 [0,0,0,0,0,1|3,0,0]=4 541 B10R1.27 CCN(C)Cc1cscn1 2230a_100000225621_100000205941 [0,0,0,0,0,1|3,0,0]=4 542 B10R1.27 CCN(C)Cc1cscn1 2230a_100000225794_100000210202 [0,0,0,0,0,1|3,0,0]=4 543 B10R1.27 CCN(C)Cc1cscn1 269982a_100000225621_100000205941 [0,0,0,0,0,1|3,0,0]=4 544 B10R1.27 CCN(C)Cc1cscn1 269982a_100000225794_100000204670 [0,0,0,0,0,1|3,0,0]=4 545 B10R1.27 CCN(C)Cc1ncc[nH]1 2230a_100000225621_100016991755 [0,0,0,0,0,1|2,0,0]=3 546 B10R1.27 CCN(C)Cc1ncc[nH]1 2230a_100015184136_100000210202 [0,0,0,0,0,1|2,0,0]=3 547 B10R1.27 CCN(C)Cc1ncc[nH]1 269982a_100000225621_100016991755 [0,0,0,0,0,1|2,0,0]=3 548 B10R1.27 CCN(C)Cc1ncc[nH]1 269982a_100015184136_100000204670 [0,0,0,0,0,1|2,0,0]=3 549 B10R1.27 CCN(C)Cc1ncco1 2230a_100000225621_103436540062 [0,0,0,0,0,1|1,1,0]=3 550 B10R1.27 CCN(C)Cc1ncco1 269982a_100000225621_103436540062 [0,0,0,0,0,1|1,1,0]=3 551 B10R1.27 CCN(C)Cc1nccs1 2230a_100000225621_100015184050 [0,0,0,0,0,1|1,0,0]=2 552 B10R1.27 CCN(C)Cc1nccs1 2230a_100000765864_100000210202 [0,0,0,0,0,1|1,0,0]=2 553 B10R1.27 CCN(C)Cc1nccs1 269982a_100000225621_100015184050 [0,0,0,0,0,1|1,0,0]=2 554 B10R1.27 CCN(C)Cc1nccs1 269982a_100000765864_100000204670 [0,0,0,0,0,1|1,0,0]=2 555 B10R1.27 CCN(C)Cc1ncon1 269982a_100000225621_100000233494 [0,0,0,0,0,1|3,0,0]=4 556 B10R1.27 CCN(C)Cc1ncon1 269982a_100000697192_100000204670 [0,0,0,0,0,1|3,0,0]=4 557 B10R1.27 CCN([13CH3])Cc1ccco1 2230a_100000739255_200025704644 [0,0,0,0,0,1|2,1,0]=4 558 B10R1.27 CCN([13CH3])Cc1ccco1 269982a_100000739255_200025704644 [0,0,0,0,0,1|2,1,0]=4 559 B10R1.27 CCN([13CH3])Cc1cccs1 2230a_100025770963_200025704644 [0,0,0,0,0,1|2,0,0]=3 560 B10R1.27 CCN([13CH3])Cc1cccs1 269982a_100025770963_200025704644 [0,0,0,0,0,1|2,0,0]=3 561 B10R1.27 CC[C@H](C)CN1CC=CC1 269982a_100015195280_100009816398 [0,0,0,0,0,1|3,0,0]=4 562 B10R1.27 CN(CF)Cc1cccs1 269982a_100000184426_100015361967 [0,0,0,0,0,1|3,0,0]=4 563 B10R1.27 CN(CF)Cc1ncc[nH]1 269982a_100015184136_100015361967 [0,0,0,0,0,1|3,0,0]=4 564 B10R1.27 CN(CF)Cc1nccs1 269982a_100000765864_100015361967 [0,0,0,0,0,1|2,0,0]=3 565 B10R1.27 CNC(C)Cc1ccco1 270004a_106832991635_100011216958 [0,0,0,0,0,1|2,1,0]=4 566 B10R1.27 CNC(C)Cc1cccs1 2230a_100000751415_200000210301 [0,0,0,0,0,1|2,0,0]=3 567 B10R1.27 CNC(C)Cn1cccn1 2230a_100000738251_200000210301 [0,0,0,0,0,1|3,0,0]=4 568 B10R1.27 COC(C)Cc1ccco1 34a_100011803939_200000210301 [0,0,0,0,0,1|2,1,0]=4 569 B10R1.27 COC(C)Cc1ccco1 7a_100011803939_200000210301 [0,0,0,0,0,1|2,1,0]=4 570 B10R1.27 COC(C)Sc1c[nH]cn1 62a_100000756875_100009879195 [0,0,0,0,0,1|3,0,0]=4 571 B10R1.27 COC(C)Sc1c[nH]cn1 62a_100009879195_100000756875 [0,0,0,0,0,1|3,0,0]=4 572 B10R1.27 COC(C)Sc1cc[nH]n1 62a_100000062575_100009879195 [0,0,0,0,0,1|3,0,0]=4 573 B10R1.27 COC(C)Sc1cc[nH]n1 62a_100009879195_100000062575 [0,0,0,0,0,1|3,0,0]=4 574 B10R1.27 COC(C)Sc1ccco1 62a_100009814098_100009879195 [0,0,0,0,0,1|2,1,0]=4 575 B10R1.27 COC(C)Sc1ccco1 62a_100009879195_100009814098 [0,0,0,0,0,1|2,1,0]=4 576 B10R1.27 COC(C)Sc1cccs1 62a_100009879195_100011215356 [0,0,0,0,0,1|2,0,0]=3 577 B10R1.27 COC(C)Sc1cccs1 62a_100011215356_100009879195 [0,0,0,0,0,1|2,0,0]=3 578 B10R1.27 COC(C)Sc1ccon1 62a_100009818083_100009879195 [0,0,0,0,0,1|3,0,0]=4 579 B10R1.27 COC(C)Sc1ccon1 62a_100009879195_100009818083 [0,0,0,0,0,1|3,0,0]=4 580 B10R1.27 COC(C)Sc1ccsn1 62a_100009818082_100009879195 [0,0,0,0,0,1|3,0,0]=4 581 B10R1.27 COC(C)Sc1ccsn1 62a_100009879195_100009818082 [0,0,0,0,0,1|3,0,0]=4 582 B10R1.27 COC(C)Sc1cncs1 62a_100009879195_100011934649 [0,0,0,0,0,1|3,0,0]=4 583 B10R1.27 COC(C)Sc1cncs1 62a_100011934649_100009879195 [0,0,0,0,0,1|3,0,0]=4 584 B10R1.27 COC(C)Sc1cscn1 62a_100000751502_100009879195 [0,0,0,0,0,1|3,0,0]=4 585 B10R1.27 COC(C)Sc1cscn1 62a_100009879195_100000751502 [0,0,0,0,0,1|3,0,0]=4 586 B10R1.27 COC(C)Sc1nc[nH]n1 62a_100000761765_100009879195 [0,0,0,0,0,1|3,0,0]=4 587 B10R1.27 COC(C)Sc1nc[nH]n1 62a_100009879195_100000761765 [0,0,0,0,0,1|3,0,0]=4 588 B10R1.27 COC(C)Sc1ncc[nH]1 62a_100009879195_100025796157 [0,0,0,0,0,1|2,0,0]=3 589 B10R1.27 COC(C)Sc1ncc[nH]1 62a_100025796157_100009879195 [0,0,0,0,0,1|2,0,0]=3 590 B10R1.27 COC(C)Sc1ncco1 62a_100009879195_100011787736 [0,0,0,0,0,1|1,1,0]=3 591 B10R1.27 COC(C)Sc1ncco1 62a_100011787736_100009879195 [0,0,0,0,0,1|1,1,0]=3 592 B10R1.27 COC(C)Sc1nccs1 62a_100000211983_100009879195 [0,0,0,0,0,1|1,0,0]=2 593 B10R1.27 COC(C)Sc1nccs1 62a_100009879195_100000211983 [0,0,0,0,0,1|1,0,0]=2 594 B10R1.27 COC(C)Sc1ncns1 62a_100000693119_100009879195 [0,0,0,0,0,1|2,0,0]=3 595 B10R1.27 COC(C)Sc1ncns1 62a_100009879195_100000693119 [0,0,0,0,0,1|2,0,0]=3 596 B10R1.27 COC(C)Sc1nncs1 62a_100000739804_100009879195 [0,0,0,0,0,1|2,0,0]=3 597 B10R1.27 COC(C)Sc1nncs1 62a_100009879195_100000739804 [0,0,0,0,0,1|2,0,0]=3 598 B10R1.27 C[C@H](CF)Nc1ncns1 27a_100102880703_100000693119 [0,0,0,0,0,1|2,0,0]=3 599 B10R1.27 C[C@H](CF)Nc1nncs1 27a_100102880703_100000739804 [0,0,0,0,0,1|2,0,0]=3 600 B10R1.27 C[C@H](CO)Nc1ncns1 27a_100000737577_100000693119 [0,0,0,0,0,1|2,0,0]=3 601 B10R1.27 C[C@H](CO)Nc1nncs1 27a_100000737577_100000739804 [0,0,0,0,0,1|2,0,0]=3 602 B10R1.27 C[C@H](CO)Sc1c[nH]cn1 62a_100000756875_100016084084 [0,0,0,0,0,1|3,0,0]=4 603 B10R1.27 C[C@H](CO)Sc1c[nH]cn1 62a_100016084084_100000756875 [0,0,0,0,0,1|3,0,0]=4 604 B10R1.27 C[C@H](CO)Sc1cc[nH]n1 62a_100000062575_100016084084 [0,0,0,0,0,1|3,0,0]=4 605 B10R1.27 C[C@H](CO)Sc1cc[nH]n1 62a_100016084084_100000062575 [0,0,0,0,0,1|3,0,0]=4 606 B10R1.27 C[C@H](CO)Sc1ccco1 62a_100009814098_100016084084 [0,0,0,0,0,1|2,1,0]=4 607 B10R1.27 C[C@H](CO)Sc1ccco1 62a_100016084084_100009814098 [0,0,0,0,0,1|2,1,0]=4 608 B10R1.27 C[C@H](CO)Sc1cccs1 62a_100011215356_100016084084 [0,0,0,0,0,1|2,0,0]=3 609 B10R1.27 C[C@H](CO)Sc1cccs1 62a_100016084084_100011215356 [0,0,0,0,0,1|2,0,0]=3 610 B10R1.27 C[C@H](CO)Sc1ccon1 62a_100009818083_100016084084 [0,0,0,0,0,1|3,0,0]=4 611 B10R1.27 C[C@H](CO)Sc1ccon1 62a_100016084084_100009818083 [0,0,0,0,0,1|3,0,0]=4 612 B10R1.27 C[C@H](CO)Sc1ccsn1 62a_100009818082_100016084084 [0,0,0,0,0,1|3,0,0]=4 613 B10R1.27 C[C@H](CO)Sc1ccsn1 62a_100016084084_100009818082 [0,0,0,0,0,1|3,0,0]=4 614 B10R1.27 C[C@H](CO)Sc1cncs1 62a_100011934649_100016084084 [0,0,0,0,0,1|3,0,0]=4 615 B10R1.27 C[C@H](CO)Sc1cncs1 62a_100016084084_100011934649 [0,0,0,0,0,1|3,0,0]=4 616 B10R1.27 C[C@H](CO)Sc1cscn1 62a_100000751502_100016084084 [0,0,0,0,0,1|3,0,0]=4 617 B10R1.27 C[C@H](CO)Sc1cscn1 62a_100016084084_100000751502 [0,0,0,0,0,1|3,0,0]=4 618 B10R1.27 C[C@H](CO)Sc1nc[nH]n1 62a_100000761765_100016084084 [0,0,0,0,0,1|3,0,0]=4 619 B10R1.27 C[C@H](CO)Sc1nc[nH]n1 62a_100016084084_100000761765 [0,0,0,0,0,1|3,0,0]=4 620 B10R1.27 C[C@H](CO)Sc1ncc[nH]1 62a_100016084084_100025796157 [0,0,0,0,0,1|2,0,0]=3 621 B10R1.27 C[C@H](CO)Sc1ncc[nH]1 62a_100025796157_100016084084 [0,0,0,0,0,1|2,0,0]=3 622 B10R1.27 C[C@H](CO)Sc1ncco1 62a_100011787736_100016084084 [0,0,0,0,0,1|1,1,0]=3 623 B10R1.27 C[C@H](CO)Sc1ncco1 62a_100016084084_100011787736 [0,0,0,0,0,1|1,1,0]=3 624 B10R1.27 C[C@H](CO)Sc1nccs1 62a_100000211983_100016084084 [0,0,0,0,0,1|1,0,0]=2 625 B10R1.27 C[C@H](CO)Sc1nccs1 62a_100016084084_100000211983 [0,0,0,0,0,1|1,0,0]=2 626 B10R1.27 C[C@H](CO)Sc1ncns1 62a_100000693119_100016084084 [0,0,0,0,0,1|2,0,0]=3 627 B10R1.27 C[C@H](CO)Sc1ncns1 62a_100016084084_100000693119 [0,0,0,0,0,1|2,0,0]=3 628 B10R1.27 C[C@H](CO)Sc1nncs1 62a_100000739804_100016084084 [0,0,0,0,0,1|2,0,0]=3 629 B10R1.27 C[C@H](CO)Sc1nncs1 62a_100016084084_100000739804 [0,0,0,0,0,1|2,0,0]=3 630 B10R1.27 N#CC(F)Sc1nccs1 62a_100000211983_200000117898 [0,0,0,0,0,1|2,0,1]=4 631 B10R1.27 N#CC(F)Sc1nccs1 62a_200000117898_100000211983 [0,0,0,0,0,1|2,0,1]=4 632 B10R1.27 O=C(CO)Cc1nccs1 1458a_100000210174_100015184050 [0,0,0,0,0,1|2,0,1]=4 633 B7R0.3 C=CCNC(C)CC 2230a_100000209981_100000210623 [1,0,1,0,0,0|2,0,0]=4 634 B7R0.3 C=CCNC(C)CC 2230a_100020586998_100000758301 [1,0,1,0,0,0|2,0,0]=4 635 B7R0.3 C=CCOC(C)CC 34a_200000210373_100011215416 [1,0,1,0,0,0|2,0,0]=4 636 B7R0.3 C=CCOC(C)CC 7a_100000210228_100015514636 [1,0,1,0,0,0|2,0,0]=4 637 B7R0.3 C=CCSC(C)CC 62a_100000210623_100000758301 [1,0,1,0,0,0|1,0,1]=4 638 B7R0.3 C=CCSC(C)CC 62a_100000758301_100000210623 [1,0,1,0,0,0|1,0,1]=4 639 B7R0.3 CC=NNC(C)CC 4a_100000718999_200000210099 [1,0,1,0,0,0|1,0,1]=4 640 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [1,0,1,0,0,0|1,0,1]=4 641 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [1,0,1,0,0,0|1,0,1]=4 642 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [1,0,1,0,0,0|1,1,0]=4 643 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [1,0,1,0,0,0|1,1,0]=4 644 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [1,0,1,0,0,0|1,1,0]=4 645 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [1,0,1,0,0,0|1,1,0]=4 646 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [1,0,1,0,0,0|0,1,0]=3 647 B7R0.10 C=CC(=O)N(C)CC 1626a_100000225621_100000185746 [1,0,1,0,0,0|1,1,0]=4 648 B7R0.10 C=CC(=O)N(C)CC 240690a_100000225621_200121576911 [1,0,1,0,0,0|1,1,0]=4 649 B7R1.1 C=Cc1nccs1 271570a_100011290941_100000211983 [2,0,0,0,0,0|0,0,2]=4 650 B7R1.1 CNc1ncns1 27a_100102657272_100000693119 [2,0,0,0,0,0|2,0,0]=4 651 B7R1.1 CNc1nncs1 27a_100102657272_100000739804 [2,0,0,0,0,0|2,0,0]=4 652 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [2,0,0,0,0,0|2,0,0]=4 653 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [2,0,0,0,0,0|2,0,0]=4 654 B7R1.1 CSc1ncc[nH]1 62a_100025796157_200000210301 [2,0,0,0,0,0|2,0,0]=4 655 B7R1.1 CSc1ncc[nH]1 62a_200000210301_100025796157 [2,0,0,0,0,0|2,0,0]=4 656 B7R1.1 CSc1ncco1 62a_100011787736_200000210301 [2,0,0,0,0,0|1,1,0]=4 657 B7R1.1 CSc1ncco1 62a_200000210301_100011787736 [2,0,0,0,0,0|1,1,0]=4 658 B7R1.1 CSc1nccs1 62a_100000211983_200000210301 [2,0,0,0,0,0|1,0,0]=3 659 B7R1.1 CSc1nccs1 62a_200000210301_100000211983 [2,0,0,0,0,0|1,0,0]=3 660 B7R1.1 CSc1ncns1 62a_100000693119_200000210301 [2,0,0,0,0,0|2,0,0]=4 661 B7R1.1 CSc1ncns1 62a_200000210301_100000693119 [2,0,0,0,0,0|2,0,0]=4 662 B7R1.1 CSc1nncs1 62a_100000739804_200000210301 [2,0,0,0,0,0|2,0,0]=4 663 B7R1.1 CSc1nncs1 62a_200000210301_100000739804 [2,0,0,0,0,0|2,0,0]=4 664 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [2,0,0,0,0,0|2,0,0]=4 665 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [2,0,0,0,0,0|2,0,0]=4 666 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_100025796157_200025704644 [2,0,0,0,0,0|2,0,0]=4 667 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_200025704644_100025796157 [2,0,0,0,0,0|2,0,0]=4 668 B7R1.1 [13CH3]Sc1ncco1 62a_100011787736_200025704644 [2,0,0,0,0,0|1,1,0]=4 669 B7R1.1 [13CH3]Sc1ncco1 62a_200025704644_100011787736 [2,0,0,0,0,0|1,1,0]=4 670 B7R1.1 [13CH3]Sc1nccs1 62a_100000211983_200025704644 [2,0,0,0,0,0|1,0,0]=3 671 B7R1.1 [13CH3]Sc1nccs1 62a_200025704644_100000211983 [2,0,0,0,0,0|1,0,0]=3 672 B7R1.1 [13CH3]Sc1ncns1 62a_100000693119_200025704644 [2,0,0,0,0,0|2,0,0]=4 673 B7R1.1 [13CH3]Sc1ncns1 62a_200025704644_100000693119 [2,0,0,0,0,0|2,0,0]=4 674 B7R1.1 [13CH3]Sc1nncs1 62a_100000739804_200025704644 [2,0,0,0,0,0|2,0,0]=4 675 B7R1.1 [13CH3]Sc1nncs1 62a_200025704644_100000739804 [2,0,0,0,0,0|2,0,0]=4 676 B9R0.6 C=CCC(=O)C(C)C(C)C 1458a_100000755409_100000210623 [0,1,1,0,0,0|1,1,0]=4 677 B9R0.8 C/C=C/CC(=O)C(C)CC 1458a_100011192722_100102629194 [0,1,1,0,0,0|1,1,0]=4 678 B9R0.8 C=CC=CC(=O)C(C)CC 1458a_100016291481_100000758301 [0,1,1,0,0,0|1,1,0]=4 679 B9R0.8 C=CCCC(=O)C(C)CC 1458a_100000749702_100000758301 [0,1,1,0,0,0|1,1,0]=4 680 B9R0.8 C=CCCC(=O)C(C)CC 1458a_100011192722_100000754431 [0,1,1,0,0,0|1,1,0]=4 681 B9R0.8 C=CCNC(=O)C(C)CC 1626a_100020586998_100011192722 [0,1,1,0,0,0|0,1,1]=4 682 B9R0.8 C=CCNC(=O)C(C)CC 240690a_100020586998_100011192722 [0,1,1,0,0,0|0,1,1]=4 683 B9R0.8 C=CCNC(=O)C(C)CC 527a_100020586998_100011192722 [0,1,1,0,0,0|0,1,1]=4 684 B9R0.8 CC=CCC(=O)C(C)CC 1458a_100011192722_100000070051 [0,1,1,0,0,0|1,1,0]=4 685 B9R0.8 CC=CCC(=O)C(C)CC 1458a_100121576822_100000758301 [0,1,1,0,0,0|1,1,0]=4 686 B9R0.8 CC=NNC(=O)C(C)CC 4a_100000740736_200000210099 [0,1,1,0,0,0|0,1,1]=4 687 B9R0.19 C=CCC(=O)C(C)(C)CC 1458a_100000749717_100000210623 [0,1,1,0,0,0|1,1,0]=4 688 B9R0.19 C=CCC(=O)C(C)(O)CC 1458a_100011219770_100000210623 [0,1,1,0,0,0|1,1,0]=4 689 B9R0.23 C=C(C)CC(=O)C(C)CC 1458a_100011192722_100000748629 [0,1,1,0,0,0|1,1,0]=4 690 B9R0.23 C=C(F)CC(=O)C(C)CC 1458a_100011192722_100009893438 [0,1,1,0,0,0|1,1,0]=4 691 B9R0.27 C=CC(C)C(=O)C(C)CC 1458a_100011216780_100000758301 [0,1,1,0,0,0|1,1,0]=4 692 B9R0.35 C=CCC(=O)C(C)CCC 1458a_100000210193_100000766640 [0,1,1,0,0,0|1,1,0]=4 693 B9R0.35 C=CCC(=O)C(C)CCC 1458a_100000210906_100000210623 [0,1,1,0,0,0|1,1,0]=4 694 B9R0.35 C=CCC(=O)C(C)CCO 1458a_100000210193_100009893172 [0,1,1,0,0,0|1,1,0]=4 695 B9R0.35 C=CCC(=O)C(C)COC 1458a_100000210193_100000765312 [0,1,1,0,0,0|1,1,0]=4 696 B9R0.35 C=CCC(=O)C(C)COC 1458a_100000751857_100000210623 [0,1,1,0,0,0|1,1,0]=4 697 B9R0.35 C=CCC(=O)C(C)CSC 1458a_100000753918_100000210623 [0,1,1,0,0,0|1,1,0]=4 698 B9R0.35 C=CCC(=O)C(C)OCC 1458a_100000739345_100000210623 [0,1,1,0,0,0|1,1,0]=4 699 B9R0.35 C=CCC(=O)C(C)SCC 1458a_100000230601_100000210623 [0,1,1,0,0,0|1,1,0]=4 700 B9R0.37 C=CCC(=O)C(CC)CC 1458a_100000210193_100000210505 [0,1,1,0,0,0|1,1,0]=4 701 B9R0.37 C=CCC(=O)C(CC)CC 1458a_100000211163_100000210623 [0,1,1,0,0,0|1,1,0]=4 702 B9R0.37 C=CCC(=O)C(CC)OC 1458a_100000747056_100000210623 [0,1,1,0,0,0|1,1,0]=4 703 B9R0.1 C=C(C)C=NNC(C)CC 4a_100000718999_100000210575 [0,1,1,0,0,0|2,0,0]=4 704 B9R0.1 CCC(C)C=NNC(=O)C 4a_100000189765_100000243153 [0,1,1,0,0,0|1,1,0]=4 705 B9R0.24 C=CC(=NNC(C)CC)C 4a_100000718999_200015361842 [0,1,1,0,0,0|2,0,0]=4 706 B9R0.46 C/C=C/CSCC(C)CC 62a_100000748023_100102629194 [0,1,1,0,0,0|1,0,1]=4 707 B9R0.46 C/C=C/CSCC(C)CC 62a_100102629194_100000748023 [0,1,1,0,0,0|1,0,1]=4 708 B9R0.46 C/C=C/CSC[C@@H](C)CC 62a_100009816398_100102629194 [0,1,1,0,0,0|1,0,1]=4 709 B9R0.46 C/C=C/CSC[C@@H](C)CC 62a_100102629194_100009816398 [0,1,1,0,0,0|1,0,1]=4 710 B9R0.46 CC=CCSCC(C)CC 62a_100000070051_100000748023 [0,1,1,0,0,0|1,0,1]=4 711 B9R0.46 CC=CCSCC(C)CC 62a_100000748023_100000070051 [0,1,1,0,0,0|1,0,1]=4 712 B9R0.46 CC=CCSC[C@@H](C)CC 62a_100000070051_100009816398 [0,1,1,0,0,0|1,0,1]=4 713 B9R0.46 CC=CCSC[C@@H](C)CC 62a_100009816398_100000070051 [0,1,1,0,0,0|1,0,1]=4 714 B9R1.35 C=C(C)c1nc(cs1)Br 271570a_100000694244_200016082925 [1,1,0,0,0,0|0,0,2]=4 715 B9R1.35 C=C(C)c1nc(cs1)C 271570a_100000694244_100011291629 [1,1,0,0,0,0|0,0,2]=4 716 B9R1.35 C=C(C)c1nc(cs1)N 271570a_100000694244_200015188442 [1,1,0,0,0,0|0,0,2]=4 717 B9R1.35 C=C(C)c1ncc(s1)C 271570a_100000694244_100000690809 [1,1,0,0,0,0|0,0,2]=4 718 B9R1.35 CC(=O)c1nc(cs1)O 271570a_203496583355_100010231720 [1,1,0,0,0,0|1,0,1]=4 719 B9R1.35 CC(=O)c1ncc(s1)O 271570a_203496583355_100000693680 [1,1,0,0,0,0|1,0,1]=4 720 B9R1.35 CC(C)c1cnc(s1)O 271570a_203496583355_100000697854 [1,1,0,0,0,0|2,0,0]=4 721 B9R1.35 CC(C)c1nc(cs1)O 271570a_203496583355_200011934575 [1,1,0,0,0,0|0,0,0]=2 722 B9R1.35 CC(C)c1nnc(s1)O 271570a_203496583355_100000687747 [1,1,0,0,0,0|1,0,0]=3 723 B9R1.35 CC(C)c1noc(n1)O 270196a_100000210513_100015183105 [1,1,0,0,0,0|2,0,0]=4 724 B9R1.35 CC(C)n1cc(cn1)O 271570a_203496583355_100012073297 [1,1,0,0,0,0|2,0,0]=4 725 B9R1.35 CC(C)n1ccc(n1)O 271570a_203496583355_100012351941 [1,1,0,0,0,0|2,0,0]=4 726 B9R1.35 CC(N)c1cc(cs1)O 271570a_203496583355_100159270200 [1,1,0,0,0,0|2,0,0]=4 727 B9R1.35 CC(N)c1ccc(s1)O 271570a_203496583355_100102723530 [1,1,0,0,0,0|2,0,0]=4 728 B9R1.35 CN(C)c1nc(cs1)O 271570a_203496583355_100012356714 [1,1,0,0,0,0|1,0,0]=3 729 B9R1.35 CN(C)c1ncc(s1)O 271570a_203496583355_100012356744 [1,1,0,0,0,0|1,0,0]=3 730 B9R1.35 CN(C)c1nnc(s1)N 27a_100102631434_100000738278 [1,1,0,0,0,0|2,0,0]=4 731 B9R1.35 Cc1nc(no1)C(C)C 270196a_100000210513_100000070787 [1,1,0,0,0,0|2,0,0]=4 732 B9R1.35 Cc1nnc(s1)N(C)C 27a_100102631434_100000686958 [1,1,0,0,0,0|2,0,0]=4 733 B9R1.35 Cc1noc(n1)C(C)C 270196a_100000212224_100000210198 [1,1,0,0,0,0|1,1,0]=4 734 B9R1.35 Cc1nsc(n1)N(C)C 27a_100102631434_100000709739 [1,1,0,0,0,0|2,0,0]=4 735 B9R1.35 Oc1cnc(s1)C(F)F 271570a_203496583355_100010742959 [1,1,0,0,0,0|2,0,0]=4 736 B9R1.41 CC(C)n1nccc1O 271570a_203496583355_100010264481 [1,1,0,0,0,0|2,0,0]=4 737 B9R1.7 CC=Cc1nc(cs1)Br 271570a_100016259895_200016082925 [1,1,0,0,0,0|0,0,2]=4 738 B9R1.7 CC=Cc1nc(cs1)C 271570a_100016259895_100011291629 [1,1,0,0,0,0|0,0,2]=4 739 B9R1.7 CC=Cc1nc(cs1)N 271570a_100016259895_200015188442 [1,1,0,0,0,0|0,0,2]=4 740 B9R1.7 CC=Cc1ncc(s1)C 271570a_100016259895_100000690809 [1,1,0,0,0,0|0,0,2]=4 741 B9R1.7 CCCc1ccc(s1)O 271570a_203496583355_100010157708 [1,1,0,0,0,0|1,0,0]=3 742 B9R1.7 CCCc1nc(no1)C 270196a_100000212224_100000211992 [1,1,0,0,0,0|1,1,0]=4 743 B9R1.7 CCCc1ncc([nH]1)O 271570a_203496583355_200009820212 [1,1,0,0,0,0|1,0,0]=3 744 B9R1.7 CCCc1noc(n1)C 270196a_100011193412_100000070787 [1,1,0,0,0,0|2,0,0]=4 745 B9R1.7 CCCc1noc(n1)O 270196a_100011193412_100015183105 [1,1,0,0,0,0|2,0,0]=4 746 B9R1.7 CCCn1cc(cn1)O 271570a_203496583355_100011400188 [1,1,0,0,0,0|2,0,0]=4 747 B9R1.7 CCCn1ccc(n1)O 271570a_203496583355_100012457951 [1,1,0,0,0,0|2,0,0]=4 748 B9R1.7 CCNc1nc(ns1)C 27a_100015525214_100000709739 [1,1,0,0,0,0|2,0,0]=4 749 B9R1.7 CCNc1nnc(s1)C 27a_100015525214_100000686958 [1,1,0,0,0,0|2,0,0]=4 750 B9R1.7 CCNc1nnc(s1)N 27a_100015525214_100000738278 [1,1,0,0,0,0|2,0,0]=4 751 B9R1.7 CCOc1nc(cs1)O 271570a_203496583355_100011934640 [1,1,0,0,0,0|1,0,0]=3 752 B9R1.7 CCSc1cc(cs1)C 62a_100000210202_100009876951 [1,1,0,0,0,0|2,0,0]=4 753 B9R1.7 CCSc1cc(cs1)C 62a_100009876951_100000210202 [1,1,0,0,0,0|2,0,0]=4 754 B9R1.7 CCSc1ccc(s1)Br 62a_100000210202_100010197418 [1,1,0,0,0,0|2,0,0]=4 755 B9R1.7 CCSc1ccc(s1)Br 62a_100010197418_100000210202 [1,1,0,0,0,0|2,0,0]=4 756 B9R1.7 CCSc1ccc(s1)C 62a_100000031368_100000210202 [1,1,0,0,0,0|2,0,0]=4 757 B9R1.7 CCSc1ccc(s1)C 62a_100000210202_100000031368 [1,1,0,0,0,0|2,0,0]=4 758 B9R1.7 CCSc1nc(c[nH]1)C 62a_100000210202_100161115468 [1,1,0,0,0,0|2,0,0]=4 759 B9R1.7 CCSc1nc(c[nH]1)C 62a_100161115468_100000210202 [1,1,0,0,0,0|2,0,0]=4 760 B9R1.7 CCSc1nc(cs1)Br 62a_100000210202_200016082925 [1,1,0,0,0,0|1,0,0]=3 761 B9R1.7 CCSc1nc(cs1)Br 62a_200016082925_100000210202 [1,1,0,0,0,0|1,0,0]=3 762 B9R1.7 CCSc1nc(cs1)C 62a_100000210202_100011291629 [1,1,0,0,0,0|1,0,0]=3 763 B9R1.7 CCSc1nc(cs1)C 62a_100011291629_100000210202 [1,1,0,0,0,0|1,0,0]=3 764 B9R1.7 CCSc1nc(cs1)N 62a_100000210202_200015188442 [1,1,0,0,0,0|1,0,0]=3 765 B9R1.7 CCSc1nc(cs1)N 62a_200015188442_100000210202 [1,1,0,0,0,0|1,0,0]=3 766 B9R1.7 CCSc1nc(ns1)C 62a_100000210202_100000709739 [1,1,0,0,0,0|2,0,0]=4 767 B9R1.7 CCSc1nc(ns1)C 62a_100000709739_100000210202 [1,1,0,0,0,0|2,0,0]=4 768 B9R1.7 CCSc1ncc(s1)C 62a_100000210202_100000690809 [1,1,0,0,0,0|1,0,0]=3 769 B9R1.7 CCSc1ncc(s1)C 62a_100000690809_100000210202 [1,1,0,0,0,0|1,0,0]=3 770 B9R1.7 CCSc1nnc(s1)C 62a_100000210202_100000686958 [1,1,0,0,0,0|2,0,0]=4 771 B9R1.7 CCSc1nnc(s1)C 62a_100000686958_100000210202 [1,1,0,0,0,0|2,0,0]=4 772 B9R1.7 CCSc1nnc(s1)N 62a_100000210202_100000738278 [1,1,0,0,0,0|2,0,0]=4 773 B9R1.7 CCSc1nnc(s1)N 62a_100000738278_100000210202 [1,1,0,0,0,0|2,0,0]=4 774 B9R1.7 CNCc1cc(cs1)Br 207a_100102657272_100000211722 [1,1,0,0,0,0|2,0,0]=4 775 B9R1.7 CNCc1cc(cs1)Br 2230a_100000741024_200000210301 [1,1,0,0,0,0|2,0,0]=4 776 B9R1.7 CNCc1cc(cs1)Br 2230a_106832991635_100000746031 [1,1,0,0,0,0|2,0,0]=4 777 B9R1.7 CNCc1cc(cs1)Br 270004a_106832991635_100000211722 [1,1,0,0,0,0|2,0,0]=4 778 B9R1.7 CNCc1cc(cs1)Br 34a_100000741024_200000210301 [1,1,0,0,0,0|2,0,0]=4 779 B9R1.7 CNCc1cc(cs1)Br 34a_100102657272_100000746031 [1,1,0,0,0,0|2,0,0]=4 780 B9R1.7 CNCc1cc(cs1)Br 7a_106832991635_100000746031 [1,1,0,0,0,0|2,0,0]=4 781 B9R1.7 CNCc1cc(cs1)C 207a_100102657272_100102525248 [1,1,0,0,0,0|2,0,0]=4 782 B9R1.7 CNCc1cc(cs1)C 2230a_100015204214_200000210301 [1,1,0,0,0,0|2,0,0]=4 783 B9R1.7 CNCc1cc(cs1)C 270004a_106832991635_100102525248 [1,1,0,0,0,0|2,0,0]=4 784 B9R1.7 CNCc1cc(cs1)C 34a_100015204214_200000210301 [1,1,0,0,0,0|2,0,0]=4 785 B9R1.7 CNCc1cc(cs1)Cl 207a_100102657272_100000102487 [1,1,0,0,0,0|2,0,0]=4 786 B9R1.7 CNCc1cc(cs1)Cl 270004a_106832991635_100000102487 [1,1,0,0,0,0|2,0,0]=4 787 B9R1.7 CNCc1cc(cs1)I 207a_100102657272_100010179861 [1,1,0,0,0,0|2,0,0]=4 788 B9R1.7 CNCc1cc(cs1)O 271570a_203496583355_100000207611 [1,1,0,0,0,0|2,0,0]=4 789 B9R1.7 CNCc1ccc(s1)Br 207a_100102657272_100000179771 [1,1,0,0,0,0|2,0,0]=4 790 B9R1.7 CNCc1ccc(s1)Br 2230a_106832991635_100000708592 [1,1,0,0,0,0|2,0,0]=4 791 B9R1.7 CNCc1ccc(s1)Br 270004a_106832991635_100000179771 [1,1,0,0,0,0|2,0,0]=4 792 B9R1.7 CNCc1ccc(s1)Br 34a_100102657272_100000708592 [1,1,0,0,0,0|2,0,0]=4 793 B9R1.7 CNCc1ccc(s1)Br 7a_106832991635_100000708592 [1,1,0,0,0,0|2,0,0]=4 794 B9R1.7 CNCc1ccc(s1)C 207a_100102657272_100000211121 [1,1,0,0,0,0|2,0,0]=4 795 B9R1.7 CNCc1ccc(s1)C 2230a_100000238518_200000210301 [1,1,0,0,0,0|2,0,0]=4 796 B9R1.7 CNCc1ccc(s1)C 270004a_106832991635_100000211121 [1,1,0,0,0,0|2,0,0]=4 797 B9R1.7 CNCc1ccc(s1)Cl 207a_100102657272_100000242774 [1,1,0,0,0,0|2,0,0]=4 798 B9R1.7 CNCc1ccc(s1)Cl 2230a_100000737310_200000210301 [1,1,0,0,0,0|2,0,0]=4 799 B9R1.7 CNCc1ccc(s1)Cl 2230a_106832991635_100000185097 [1,1,0,0,0,0|2,0,0]=4 800 B9R1.7 CNCc1ccc(s1)Cl 270004a_106832991635_100000242774 [1,1,0,0,0,0|2,0,0]=4 801 B9R1.7 CNCc1ccc(s1)Cl 34a_100102657272_100000185097 [1,1,0,0,0,0|2,0,0]=4 802 B9R1.7 CNCc1ccc(s1)Cl 7a_106832991635_100000185097 [1,1,0,0,0,0|2,0,0]=4 803 B9R1.7 CNCc1nc(c[nH]1)C 207a_100102657272_100000082322 [1,1,0,0,0,0|2,0,0]=4 804 B9R1.7 CNCc1nc(c[nH]1)C 270004a_106832991635_100000082322 [1,1,0,0,0,0|2,0,0]=4 805 B9R1.7 CNCc1nc(cs1)Br 270004a_106832991635_100009816814 [1,1,0,0,0,0|1,0,0]=3 806 B9R1.7 CNCc1nc(cs1)C 207a_100102657272_100000756994 [1,1,0,0,0,0|1,0,0]=3 807 B9R1.7 CNCc1nc(cs1)C 2230a_100015183719_200000210301 [1,1,0,0,0,0|1,0,0]=3 808 B9R1.7 CNCc1nc(cs1)C 270004a_106832991635_100000756994 [1,1,0,0,0,0|1,0,0]=3 809 B9R1.7 CNCc1ncc(o1)C 2230a_100138411809_200000210301 [1,1,0,0,0,0|1,1,0]=4 810 B9R1.7 CNCc1ncc(o1)C 34a_100138411809_200000210301 [1,1,0,0,0,0|1,1,0]=4 811 B9R1.7 CNCc1ncc(s1)Br 270004a_106832991635_100000699580 [1,1,0,0,0,0|1,0,0]=3 812 B9R1.7 CNCc1ncc(s1)C 207a_100102657272_100011361622 [1,1,0,0,0,0|1,0,0]=3 813 B9R1.7 CNCc1ncc(s1)C 270004a_106832991635_100011361622 [1,1,0,0,0,0|1,0,0]=3 814 B9R1.7 CNCc1ncc(s1)Cl 270004a_106832991635_100000699884 [1,1,0,0,0,0|1,0,0]=3 815 B9R1.7 CNCc1nnc(s1)C 2230a_106832991635_100000688753 [1,1,0,0,0,0|2,0,0]=4 816 B9R1.7 CNCc1nnc(s1)C 34a_100102657272_100000688753 [1,1,0,0,0,0|2,0,0]=4 817 B9R1.7 CNCc1nnc(s1)C 7a_106832991635_100000688753 [1,1,0,0,0,0|2,0,0]=4 818 B9R1.7 COCc1cc(cs1)Br 34a_100000238369_200000210301 [1,1,0,0,0,0|2,0,0]=4 819 B9R1.7 COCc1cc(cs1)Br 34a_100138415774_100000746031 [1,1,0,0,0,0|2,0,0]=4 820 B9R1.7 COCc1cc(cs1)Br 7a_100000238369_200000210301 [1,1,0,0,0,0|2,0,0]=4 821 B9R1.7 COCc1cc(cs1)C 34a_200000068372_200000210301 [1,1,0,0,0,0|2,0,0]=4 822 B9R1.7 COCc1cc(cs1)C 7a_200000068372_200000210301 [1,1,0,0,0,0|2,0,0]=4 823 B9R1.7 COCc1cc(cs1)O 271570a_203496583355_100011542528 [1,1,0,0,0,0|2,0,0]=4 824 B9R1.7 COCc1ccc(s1)Br 34a_100138415774_100000708592 [1,1,0,0,0,0|2,0,0]=4 825 B9R1.7 COCc1ccc(s1)C 34a_100000238367_200000210301 [1,1,0,0,0,0|2,0,0]=4 826 B9R1.7 COCc1ccc(s1)Cl 34a_100138415774_100000185097 [1,1,0,0,0,0|2,0,0]=4 827 B9R1.7 COCc1nc(cs1)Br 7a_100012000107_200000210301 [1,1,0,0,0,0|1,0,0]=3 828 B9R1.7 COCc1nnc(s1)C 34a_100138415774_100000688753 [1,1,0,0,0,0|2,0,0]=4 829 B9R1.7 COCc1nnc(s1)N 7a_100000691500_200000210301 [1,1,0,0,0,0|2,0,0]=4 830 B9R1.7 CSCc1cc(cs1)Br 62a_100000746031_200000210301 [1,1,0,0,0,0|2,0,0]=4 831 B9R1.7 CSCc1cc(cs1)Br 62a_200000210301_100000746031 [1,1,0,0,0,0|2,0,0]=4 832 B9R1.7 CSCc1ccc(s1)Br 62a_100000708592_200000210301 [1,1,0,0,0,0|2,0,0]=4 833 B9R1.7 CSCc1ccc(s1)Br 62a_200000210301_100000708592 [1,1,0,0,0,0|2,0,0]=4 834 B9R1.7 CSCc1ccc(s1)Cl 62a_100000185097_200000210301 [1,1,0,0,0,0|2,0,0]=4 835 B9R1.7 CSCc1ccc(s1)Cl 62a_200000210301_100000185097 [1,1,0,0,0,0|2,0,0]=4 836 B9R1.7 CSCc1nnc(s1)C 62a_100000688753_200000210301 [1,1,0,0,0,0|2,0,0]=4 837 B9R1.7 CSCc1nnc(s1)C 62a_200000210301_100000688753 [1,1,0,0,0,0|2,0,0]=4 838 B9R1.7 Cc1ccc(s1)CN[13CH3] 2230a_100000238518_200025704644 [1,1,0,0,0,0|2,0,0]=4 839 B9R1.7 Cc1ccc(s1)CO[13CH3] 34a_100000238367_200025704644 [1,1,0,0,0,0|2,0,0]=4 840 B9R1.7 Cc1cnc(o1)CN[13CH3] 2230a_100138411809_200025704644 [1,1,0,0,0,0|1,1,0]=4 841 B9R1.7 Cc1cnc(o1)CN[13CH3] 34a_100138411809_200025704644 [1,1,0,0,0,0|1,1,0]=4 842 B9R1.7 Cc1cnc(s1)SCF 62a_100000690809_100015361967 [1,1,0,0,0,0|2,0,0]=4 843 B9R1.7 Cc1cnc(s1)SCF 62a_100015361967_100000690809 [1,1,0,0,0,0|2,0,0]=4 844 B9R1.7 Cc1csc(c1)CN[13CH3] 2230a_100015204214_200025704644 [1,1,0,0,0,0|2,0,0]=4 845 B9R1.7 Cc1csc(c1)CN[13CH3] 34a_100015204214_200025704644 [1,1,0,0,0,0|2,0,0]=4 846 B9R1.7 Cc1csc(c1)CO[13CH3] 34a_200000068372_200025704644 [1,1,0,0,0,0|2,0,0]=4 847 B9R1.7 Cc1csc(c1)CO[13CH3] 7a_200000068372_200025704644 [1,1,0,0,0,0|2,0,0]=4 848 B9R1.7 Cc1csc(n1)CN[13CH3] 2230a_100015183719_200025704644 [1,1,0,0,0,0|1,0,0]=3 849 B9R1.7 Cc1csc(n1)SCF 62a_100011291629_100015361967 [1,1,0,0,0,0|2,0,0]=4 850 B9R1.7 Cc1csc(n1)SCF 62a_100015361967_100011291629 [1,1,0,0,0,0|2,0,0]=4 851 B9R1.7 Cc1nnc(s1)CS[13CH3] 62a_100000688753_200025704644 [1,1,0,0,0,0|2,0,0]=4 852 B9R1.7 Cc1nnc(s1)CS[13CH3] 62a_200025704644_100000688753 [1,1,0,0,0,0|2,0,0]=4 853 B9R1.7 FCSc1nc(cs1)Br 62a_100015361967_200016082925 [1,1,0,0,0,0|2,0,0]=4 854 B9R1.7 FCSc1nc(cs1)Br 62a_200016082925_100015361967 [1,1,0,0,0,0|2,0,0]=4 855 B9R1.7 Nc1csc(n1)SCF 62a_100015361967_200015188442 [1,1,0,0,0,0|2,0,0]=4 856 B9R1.7 Nc1csc(n1)SCF 62a_200015188442_100015361967 [1,1,0,0,0,0|2,0,0]=4 857 B9R1.7 [13CH3]NCc1cc(cs1)Br 2230a_100000741024_200025704644 [1,1,0,0,0,0|2,0,0]=4 858 B9R1.7 [13CH3]NCc1cc(cs1)Br 34a_100000741024_200025704644 [1,1,0,0,0,0|2,0,0]=4 859 B9R1.7 [13CH3]NCc1ccc(s1)Cl 2230a_100000737310_200025704644 [1,1,0,0,0,0|2,0,0]=4 860 B9R1.7 [13CH3]OCc1cc(cs1)Br 34a_100000238369_200025704644 [1,1,0,0,0,0|2,0,0]=4 861 B9R1.7 [13CH3]OCc1cc(cs1)Br 7a_100000238369_200025704644 [1,1,0,0,0,0|2,0,0]=4 862 B9R1.7 [13CH3]OCc1nc(cs1)Br 7a_100012000107_200025704644 [1,1,0,0,0,0|1,0,0]=3 863 B9R1.7 [13CH3]OCc1nnc(s1)N 7a_100000691500_200025704644 [1,1,0,0,0,0|2,0,0]=4 864 B9R1.7 [13CH3]SCc1cc(cs1)Br 62a_100000746031_200025704644 [1,1,0,0,0,0|2,0,0]=4 865 B9R1.7 [13CH3]SCc1cc(cs1)Br 62a_200025704644_100000746031 [1,1,0,0,0,0|2,0,0]=4 866 B9R1.7 [13CH3]SCc1ccc(s1)Br 62a_100000708592_200025704644 [1,1,0,0,0,0|2,0,0]=4 867 B9R1.7 [13CH3]SCc1ccc(s1)Br 62a_200025704644_100000708592 [1,1,0,0,0,0|2,0,0]=4 868 B9R1.7 [13CH3]SCc1ccc(s1)Cl 62a_100000185097_200025704644 [1,1,0,0,0,0|2,0,0]=4 869 B9R1.7 [13CH3]SCc1ccc(s1)Cl 62a_200025704644_100000185097 [1,1,0,0,0,0|2,0,0]=4 870 B9R1.12 C#CCSc1nccs1 62a_100000038162_100000211983 [1,1,0,0,0,0|0,0,2]=4 871 B9R1.12 C=CCSc1nccs1 62a_100000210623_100000211983 [1,1,0,0,0,0|0,0,2]=4 872 B9R1.12 C=CCSc1nccs1 62a_100000211983_100000210623 [1,1,0,0,0,0|0,0,2]=4 873 B9R1.12 CC=NNc1nccs1 4a_100011198208_200000210099 [1,1,0,0,0,0|1,0,1]=4 874 B9R1.12 CCCCc1c[nH]cn1 271570a_100020621405_100000756875 [1,1,0,0,0,0|2,0,0]=4 875 B9R1.12 CCCCc1cc[nH]n1 271570a_100020621405_100000062575 [1,1,0,0,0,0|2,0,0]=4 876 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [1,1,0,0,0,0|1,1,0]=4 877 B9R1.12 CCCCc1cccs1 271570a_100020621405_100011215356 [1,1,0,0,0,0|1,0,0]=3 878 B9R1.12 CCCCc1ccsn1 271570a_100020621405_100009818082 [1,1,0,0,0,0|2,0,0]=4 879 B9R1.12 CCCCc1cncs1 271570a_100020621405_100011934649 [1,1,0,0,0,0|2,0,0]=4 880 B9R1.12 CCCCc1cscn1 271570a_100020621405_100000751502 [1,1,0,0,0,0|2,0,0]=4 881 B9R1.12 CCCCc1nc[nH]n1 271570a_100020621405_100000761765 [1,1,0,0,0,0|2,0,0]=4 882 B9R1.12 CCCCc1ncc[nH]1 271570a_100020621405_100025796157 [1,1,0,0,0,0|1,0,0]=3 883 B9R1.12 CCCCc1ncco1 271570a_100020621405_100011787736 [1,1,0,0,0,0|0,1,0]=3 884 B9R1.12 CCCCc1nccs1 271570a_100020621405_100000211983 [1,1,0,0,0,0|0,0,0]=2 885 B9R1.12 CCCCc1ncns1 271570a_100020621405_100000693119 [1,1,0,0,0,0|1,0,0]=3 886 B9R1.12 CCCCc1nncs1 271570a_100020621405_100000739804 [1,1,0,0,0,0|1,0,0]=3 887 B9R1.12 CCCSc1c[nH]cn1 62a_100000210303_100000756875 [1,1,0,0,0,0|2,0,0]=4 888 B9R1.12 CCCSc1c[nH]cn1 62a_100000756875_100000210303 [1,1,0,0,0,0|2,0,0]=4 889 B9R1.12 CCCSc1cc[nH]n1 62a_100000062575_100000210303 [1,1,0,0,0,0|2,0,0]=4 890 B9R1.12 CCCSc1cc[nH]n1 62a_100000210303_100000062575 [1,1,0,0,0,0|2,0,0]=4 891 B9R1.12 CCCSc1ccco1 62a_100000210303_100009814098 [1,1,0,0,0,0|1,1,0]=4 892 B9R1.12 CCCSc1ccco1 62a_100009814098_100000210303 [1,1,0,0,0,0|1,1,0]=4 893 B9R1.12 CCCSc1cccs1 62a_100000210303_100011215356 [1,1,0,0,0,0|1,0,0]=3 894 B9R1.12 CCCSc1cccs1 62a_100011215356_100000210303 [1,1,0,0,0,0|1,0,0]=3 895 B9R1.12 CCCSc1ccon1 62a_100000210303_100009818083 [1,1,0,0,0,0|2,0,0]=4 896 B9R1.12 CCCSc1ccon1 62a_100009818083_100000210303 [1,1,0,0,0,0|2,0,0]=4 897 B9R1.12 CCCSc1ccsn1 62a_100000210303_100009818082 [1,1,0,0,0,0|2,0,0]=4 898 B9R1.12 CCCSc1ccsn1 62a_100009818082_100000210303 [1,1,0,0,0,0|2,0,0]=4 899 B9R1.12 CCCSc1cncs1 62a_100000210303_100011934649 [1,1,0,0,0,0|2,0,0]=4 900 B9R1.12 CCCSc1cncs1 62a_100011934649_100000210303 [1,1,0,0,0,0|2,0,0]=4 901 B9R1.12 CCCSc1cscn1 62a_100000210303_100000751502 [1,1,0,0,0,0|2,0,0]=4 902 B9R1.12 CCCSc1cscn1 62a_100000751502_100000210303 [1,1,0,0,0,0|2,0,0]=4 903 B9R1.12 CCCSc1nc[nH]n1 62a_100000210303_100000761765 [1,1,0,0,0,0|2,0,0]=4 904 B9R1.12 CCCSc1nc[nH]n1 62a_100000761765_100000210303 [1,1,0,0,0,0|2,0,0]=4 905 B9R1.12 CCCSc1ncc[nH]1 62a_100000210303_100025796157 [1,1,0,0,0,0|1,0,0]=3 906 B9R1.12 CCCSc1ncc[nH]1 62a_100025796157_100000210303 [1,1,0,0,0,0|1,0,0]=3 907 B9R1.12 CCCSc1ncco1 62a_100000210303_100011787736 [1,1,0,0,0,0|0,1,0]=3 908 B9R1.12 CCCSc1ncco1 62a_100011787736_100000210303 [1,1,0,0,0,0|0,1,0]=3 909 B9R1.12 CCCSc1nccs1 62a_100000210303_100000211983 [1,1,0,0,0,0|0,0,0]=2 910 B9R1.12 CCCSc1nccs1 62a_100000211983_100000210303 [1,1,0,0,0,0|0,0,0]=2 911 B9R1.12 CCCSc1ncns1 62a_100000210303_100000693119 [1,1,0,0,0,0|1,0,0]=3 912 B9R1.12 CCCSc1ncns1 62a_100000693119_100000210303 [1,1,0,0,0,0|1,0,0]=3 913 B9R1.12 CCCSc1nncs1 62a_100000210303_100000739804 [1,1,0,0,0,0|1,0,0]=3 914 B9R1.12 CCCSc1nncs1 62a_100000739804_100000210303 [1,1,0,0,0,0|1,0,0]=3 915 B9R1.12 CCNCc1c[nH]cn1 2230a_100015525214_100000707719 [1,1,0,0,0,0|2,0,0]=4 916 B9R1.12 CCNCc1cc[nH]n1 207a_100015525214_100000738523 [1,1,0,0,0,0|2,0,0]=4 917 B9R1.12 CCNCc1cc[nH]n1 270004a_100015525214_100000738523 [1,1,0,0,0,0|2,0,0]=4 918 B9R1.12 CCNCc1ccco1 207a_100015525214_100000186105 [1,1,0,0,0,0|1,1,0]=4 919 B9R1.12 CCNCc1ccco1 2230a_100000185738_100000210202 [1,1,0,0,0,0|1,1,0]=4 920 B9R1.12 CCNCc1ccco1 270004a_100015525214_100000186105 [1,1,0,0,0,0|1,1,0]=4 921 B9R1.12 CCNCc1ccco1 34a_100000185738_100000210202 [1,1,0,0,0,0|1,1,0]=4 922 B9R1.12 CCNCc1cccs1 207a_100015525214_100000209959 [1,1,0,0,0,0|1,0,0]=3 923 B9R1.12 CCNCc1cccs1 2230a_100000211653_100000210202 [1,1,0,0,0,0|1,0,0]=3 924 B9R1.12 CCNCc1cccs1 270004a_100015525214_100000209959 [1,1,0,0,0,0|1,0,0]=3 925 B9R1.12 CCNCc1ccon1 2230a_100015525214_100000234950 [1,1,0,0,0,0|2,0,0]=4 926 B9R1.12 CCNCc1cncs1 207a_100015525214_100000749870 [1,1,0,0,0,0|2,0,0]=4 927 B9R1.12 CCNCc1cncs1 2230a_100015525214_100015185245 [1,1,0,0,0,0|2,0,0]=4 928 B9R1.12 CCNCc1cncs1 2230a_100016987365_100000210202 [1,1,0,0,0,0|2,0,0]=4 929 B9R1.12 CCNCc1cncs1 270004a_100015525214_100000749870 [1,1,0,0,0,0|2,0,0]=4 930 B9R1.12 CCNCc1cocn1 270004a_100015525214_100000050382 [1,1,0,0,0,0|2,0,0]=4 931 B9R1.12 CCNCc1cscn1 207a_100015525214_100000743575 [1,1,0,0,0,0|2,0,0]=4 932 B9R1.12 CCNCc1cscn1 2230a_100015185402_100000210202 [1,1,0,0,0,0|2,0,0]=4 933 B9R1.12 CCNCc1cscn1 2230a_100015525214_100000205941 [1,1,0,0,0,0|2,0,0]=4 934 B9R1.12 CCNCc1cscn1 270004a_100015525214_100000743575 [1,1,0,0,0,0|2,0,0]=4 935 B9R1.12 CCNCc1ncc[nH]1 207a_100015525214_100000743867 [1,1,0,0,0,0|1,0,0]=3 936 B9R1.12 CCNCc1ncc[nH]1 2230a_100015525214_100016991755 [1,1,0,0,0,0|1,0,0]=3 937 B9R1.12 CCNCc1ncco1 2230a_100015525214_103436540062 [1,1,0,0,0,0|0,1,0]=3 938 B9R1.12 CCNCc1ncco1 2230a_100016994969_100000210202 [1,1,0,0,0,0|0,1,0]=3 939 B9R1.12 CCNCc1ncco1 270004a_100015525214_100000064290 [1,1,0,0,0,0|0,1,0]=3 940 B9R1.12 CCNCc1nccs1 207a_100015525214_100000750902 [1,1,0,0,0,0|0,0,0]=2 941 B9R1.12 CCNCc1nccs1 2230a_100000740555_100000210202 [1,1,0,0,0,0|0,0,0]=2 942 B9R1.12 CCNCc1nccs1 2230a_100015525214_100015184050 [1,1,0,0,0,0|0,0,0]=2 943 B9R1.12 CCNCc1nccs1 270004a_100015525214_100000750902 [1,1,0,0,0,0|0,0,0]=2 944 B9R1.12 CCNCc1nnc[nH]1 2230a_200015183720_100000210202 [1,1,0,0,0,0|2,0,0]=4 945 B9R1.12 CCOCc1c[nH]cn1 34a_100121572206_100000707719 [1,1,0,0,0,0|2,0,0]=4 946 B9R1.12 CCOCc1ccco1 34a_100000210059_100000210202 [1,1,0,0,0,0|1,1,0]=4 947 B9R1.12 CCOCc1cccs1 34a_100000211240_100000210202 [1,1,0,0,0,0|1,0,0]=3 948 B9R1.12 CCOCc1ccon1 34a_100121572206_100000234950 [1,1,0,0,0,0|2,0,0]=4 949 B9R1.12 CCOCc1cncs1 34a_100121572206_100015185245 [1,1,0,0,0,0|2,0,0]=4 950 B9R1.12 CCOCc1cscn1 34a_100121572206_100000205941 [1,1,0,0,0,0|2,0,0]=4 951 B9R1.12 CCOCc1ncc[nH]1 34a_100121572206_100016991755 [1,1,0,0,0,0|1,0,0]=3 952 B9R1.12 CCOCc1ncco1 34a_100000062594_100000210202 [1,1,0,0,0,0|0,1,0]=3 953 B9R1.12 CCOCc1ncco1 34a_100121572206_103436540062 [1,1,0,0,0,0|0,1,0]=3 954 B9R1.12 CCOCc1nccs1 34a_100121572206_100015184050 [1,1,0,0,0,0|0,0,0]=2 955 B9R1.12 CCOCc1ncon1 34a_100121572206_100000233494 [1,1,0,0,0,0|2,0,0]=4 956 B9R1.12 CCOCn1cccn1 34a_100000731028_100000210202 [1,1,0,0,0,0|2,0,0]=4 957 B9R1.12 CCSCc1c[nH]cn1 62a_100000210202_100000707719 [1,1,0,0,0,0|2,0,0]=4 958 B9R1.12 CCSCc1c[nH]cn1 62a_100000707719_100000210202 [1,1,0,0,0,0|2,0,0]=4 959 B9R1.12 CCSCc1ccon1 62a_100000210202_100000234950 [1,1,0,0,0,0|2,0,0]=4 960 B9R1.12 CCSCc1ccon1 62a_100000234950_100000210202 [1,1,0,0,0,0|2,0,0]=4 961 B9R1.12 CCSCc1cncs1 62a_100000210202_100015185245 [1,1,0,0,0,0|2,0,0]=4 962 B9R1.12 CCSCc1cncs1 62a_100015185245_100000210202 [1,1,0,0,0,0|2,0,0]=4 963 B9R1.12 CCSCc1cscn1 62a_100000205941_100000210202 [1,1,0,0,0,0|2,0,0]=4 964 B9R1.12 CCSCc1cscn1 62a_100000210202_100000205941 [1,1,0,0,0,0|2,0,0]=4 965 B9R1.12 CCSCc1ncc[nH]1 62a_100000210202_100016991755 [1,1,0,0,0,0|1,0,0]=3 966 B9R1.12 CCSCc1ncc[nH]1 62a_100016991755_100000210202 [1,1,0,0,0,0|1,0,0]=3 967 B9R1.12 CCSCc1ncco1 62a_100000210202_103436540062 [1,1,0,0,0,0|0,1,0]=3 968 B9R1.12 CCSCc1ncco1 62a_103436540062_100000210202 [1,1,0,0,0,0|0,1,0]=3 969 B9R1.12 CCSCc1nccs1 62a_100000210202_100015184050 [1,1,0,0,0,0|0,0,0]=2 970 B9R1.12 CCSCc1nccs1 62a_100015184050_100000210202 [1,1,0,0,0,0|0,0,0]=2 971 B9R1.12 CCSCc1ncon1 62a_100000210202_100000233494 [1,1,0,0,0,0|2,0,0]=4 972 B9R1.12 CCSCc1ncon1 62a_100000233494_100000210202 [1,1,0,0,0,0|2,0,0]=4 973 B9R1.12 CNCCc1c[nH]cn1 2230a_106832991635_100020628418 [1,1,0,0,0,0|2,0,0]=4 974 B9R1.12 CNCCc1c[nH]cn1 7a_106832991635_100020628418 [1,1,0,0,0,0|2,0,0]=4 975 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [1,1,0,0,0,0|1,1,0]=4 976 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [1,1,0,0,0,0|1,1,0]=4 977 B9R1.12 CNCCc1cccs1 2230a_100000203755_200000210301 [1,1,0,0,0,0|1,0,0]=3 978 B9R1.12 CNCCc1cccs1 2230a_106832991635_100000748579 [1,1,0,0,0,0|1,0,0]=3 979 B9R1.12 CNCCc1cccs1 34a_100000203755_200000210301 [1,1,0,0,0,0|1,0,0]=3 980 B9R1.12 CNCCc1cccs1 34a_100102657272_100000748579 [1,1,0,0,0,0|1,0,0]=3 981 B9R1.12 CNCCc1cccs1 7a_106832991635_100000748579 [1,1,0,0,0,0|1,0,0]=3 982 B9R1.12 CNCCc1cncs1 2230a_100016991637_200000210301 [1,1,0,0,0,0|2,0,0]=4 983 B9R1.12 CNCCc1nccs1 2230a_100015186391_200000210301 [1,1,0,0,0,0|0,0,0]=2 984 B9R1.12 CNCCn1cccn1 2230a_100011200920_200000210301 [1,1,0,0,0,0|2,0,0]=4 985 B9R1.12 CNCCn1cccn1 2230a_106832991635_100000685285 [1,1,0,0,0,0|2,0,0]=4 986 B9R1.12 CNCCn1cccn1 34a_100102657272_100015204718 [1,1,0,0,0,0|2,0,0]=4 987 B9R1.12 CNCCn1cccn1 7a_106832991635_100000685285 [1,1,0,0,0,0|2,0,0]=4 988 B9R1.12 COCCc1cccs1 34a_100011216825_200000210301 [1,1,0,0,0,0|1,0,0]=3 989 B9R1.12 COCCc1cccs1 34a_100138415774_100000748579 [1,1,0,0,0,0|1,0,0]=3 990 B9R1.12 COCCc1cccs1 7a_100011216825_200000210301 [1,1,0,0,0,0|1,0,0]=3 991 B9R1.12 COCCc1ncc[nH]1 34a_103549771195_200000210301 [1,1,0,0,0,0|1,0,0]=3 992 B9R1.12 COCCn1cccn1 34a_100000743371_200000210301 [1,1,0,0,0,0|2,0,0]=4 993 B9R1.12 COCCn1cccn1 34a_100138415774_100015204718 [1,1,0,0,0,0|2,0,0]=4 994 B9R1.12 COCSc1cccs1 62a_100000766300_100011215356 [1,1,0,0,0,0|2,0,0]=4 995 B9R1.12 COCSc1cccs1 62a_100011215356_100000766300 [1,1,0,0,0,0|2,0,0]=4 996 B9R1.12 COCSc1ncc[nH]1 62a_100000766300_100025796157 [1,1,0,0,0,0|2,0,0]=4 997 B9R1.12 COCSc1ncc[nH]1 62a_100025796157_100000766300 [1,1,0,0,0,0|2,0,0]=4 998 B9R1.12 COCSc1ncco1 62a_100000766300_100011787736 [1,1,0,0,0,0|1,1,0]=4 999 B9R1.12 COCSc1ncco1 62a_100011787736_100000766300 [1,1,0,0,0,0|1,1,0]=4 1000 B9R1.12 COCSc1nccs1 62a_100000211983_100000766300 [1,1,0,0,0,0|1,0,0]=3 1001 B9R1.12 COCSc1nccs1 62a_100000766300_100000211983 [1,1,0,0,0,0|1,0,0]=3 1002 B9R1.12 COCSc1ncns1 62a_100000693119_100000766300 [1,1,0,0,0,0|2,0,0]=4 1003 B9R1.12 COCSc1ncns1 62a_100000766300_100000693119 [1,1,0,0,0,0|2,0,0]=4 1004 B9R1.12 COCSc1nncs1 62a_100000739804_100000766300 [1,1,0,0,0,0|2,0,0]=4 1005 B9R1.12 COCSc1nncs1 62a_100000766300_100000739804 [1,1,0,0,0,0|2,0,0]=4 1006 B9R1.12 CSCCc1c[nH]cn1 62a_100020628418_200000210301 [1,1,0,0,0,0|2,0,0]=4 1007 B9R1.12 CSCCc1c[nH]cn1 62a_200000210301_100020628418 [1,1,0,0,0,0|2,0,0]=4 1008 B9R1.12 CSCCc1cccs1 62a_100000748579_200000210301 [1,1,0,0,0,0|1,0,0]=3 1009 B9R1.12 CSCCc1cccs1 62a_200000210301_100000748579 [1,1,0,0,0,0|1,0,0]=3 1010 B9R1.12 CSCCn1cccn1 62a_100015204718_200000210301 [1,1,0,0,0,0|2,0,0]=4 1011 B9R1.12 CSCCn1cccn1 62a_200000210301_100000685285 [1,1,0,0,0,0|2,0,0]=4 1012 B9R1.12 CSCSc1cccs1 62a_100011215356_100011218213 [1,1,0,0,0,0|2,0,0]=4 1013 B9R1.12 CSCSc1cccs1 62a_100011218213_100011215356 [1,1,0,0,0,0|2,0,0]=4 1014 B9R1.12 CSCSc1ncc[nH]1 62a_100011218213_100025796157 [1,1,0,0,0,0|2,0,0]=4 1015 B9R1.12 CSCSc1ncc[nH]1 62a_100025796157_100011218213 [1,1,0,0,0,0|2,0,0]=4 1016 B9R1.12 CSCSc1ncco1 62a_100011218213_100011787736 [1,1,0,0,0,0|1,1,0]=4 1017 B9R1.12 CSCSc1ncco1 62a_100011787736_100011218213 [1,1,0,0,0,0|1,1,0]=4 1018 B9R1.12 CSCSc1nccs1 62a_100000211983_100011218213 [1,1,0,0,0,0|1,0,0]=3 1019 B9R1.12 CSCSc1nccs1 62a_100011218213_100000211983 [1,1,0,0,0,0|1,0,0]=3 1020 B9R1.12 CSCSc1ncns1 62a_100000693119_100011218213 [1,1,0,0,0,0|2,0,0]=4 1021 B9R1.12 CSCSc1ncns1 62a_100011218213_100000693119 [1,1,0,0,0,0|2,0,0]=4 1022 B9R1.12 CSCSc1nncs1 62a_100000739804_100011218213 [1,1,0,0,0,0|2,0,0]=4 1023 B9R1.12 CSCSc1nncs1 62a_100011218213_100000739804 [1,1,0,0,0,0|2,0,0]=4 1024 B9R1.12 FCCSc1cccs1 62a_100011215356_100011217306 [1,1,0,0,0,0|2,0,0]=4 1025 B9R1.12 FCCSc1cccs1 62a_100011217306_100011215356 [1,1,0,0,0,0|2,0,0]=4 1026 B9R1.12 FCCSc1ncc[nH]1 62a_100011217306_100025796157 [1,1,0,0,0,0|2,0,0]=4 1027 B9R1.12 FCCSc1ncc[nH]1 62a_100025796157_100011217306 [1,1,0,0,0,0|2,0,0]=4 1028 B9R1.12 FCCSc1ncco1 62a_100011217306_100011787736 [1,1,0,0,0,0|1,1,0]=4 1029 B9R1.12 FCCSc1ncco1 62a_100011787736_100011217306 [1,1,0,0,0,0|1,1,0]=4 1030 B9R1.12 FCCSc1nccs1 62a_100000211983_100011217306 [1,1,0,0,0,0|1,0,0]=3 1031 B9R1.12 FCCSc1nccs1 62a_100011217306_100000211983 [1,1,0,0,0,0|1,0,0]=3 1032 B9R1.12 FCCSc1ncns1 62a_100000693119_100011217306 [1,1,0,0,0,0|2,0,0]=4 1033 B9R1.12 FCCSc1ncns1 62a_100011217306_100000693119 [1,1,0,0,0,0|2,0,0]=4 1034 B9R1.12 FCCSc1nncs1 62a_100000739804_100011217306 [1,1,0,0,0,0|2,0,0]=4 1035 B9R1.12 FCCSc1nncs1 62a_100011217306_100000739804 [1,1,0,0,0,0|2,0,0]=4 1036 B9R1.12 FCOCc1cccs1 34a_100000211240_100015361967 [1,1,0,0,0,0|2,0,0]=4 1037 B9R1.12 FCOCc1ncco1 34a_100000062594_100015361967 [1,1,0,0,0,0|1,1,0]=4 1038 B9R1.12 FCSCc1ncc[nH]1 62a_100015361967_100016991755 [1,1,0,0,0,0|2,0,0]=4 1039 B9R1.12 FCSCc1ncc[nH]1 62a_100016991755_100015361967 [1,1,0,0,0,0|2,0,0]=4 1040 B9R1.12 FCSCc1ncco1 62a_100015361967_103436540062 [1,1,0,0,0,0|1,1,0]=4 1041 B9R1.12 FCSCc1ncco1 62a_103436540062_100015361967 [1,1,0,0,0,0|1,1,0]=4 1042 B9R1.12 FCSCc1nccs1 62a_100015184050_100015361967 [1,1,0,0,0,0|1,0,0]=3 1043 B9R1.12 FCSCc1nccs1 62a_100015361967_100015184050 [1,1,0,0,0,0|1,0,0]=3 1044 B9R1.12 N#CCSc1nccs1 62a_100000211983_100011215382 [1,1,0,0,0,0|1,0,1]=4 1045 B9R1.12 N#CCSc1nccs1 62a_100011215382_100000211983 [1,1,0,0,0,0|1,0,1]=4 1046 B9R1.12 O=CCSc1nccs1 62a_100000211983_200015260668 [1,1,0,0,0,0|1,0,1]=4 1047 B9R1.12 O=CCSc1nccs1 62a_200015260668_100000211983 [1,1,0,0,0,0|1,0,1]=4 1048 B9R1.12 OCCNc1ncns1 27a_100000210304_100000693119 [1,1,0,0,0,0|2,0,0]=4 1049 B9R1.12 OCCNc1nncs1 27a_100000210304_100000739804 [1,1,0,0,0,0|2,0,0]=4 1050 B9R1.12 OCCSc1cccs1 62a_100000211926_100011215356 [1,1,0,0,0,0|2,0,0]=4 1051 B9R1.12 OCCSc1cccs1 62a_100011215356_100000211926 [1,1,0,0,0,0|2,0,0]=4 1052 B9R1.12 OCCSc1ncc[nH]1 62a_100000211926_100025796157 [1,1,0,0,0,0|2,0,0]=4 1053 B9R1.12 OCCSc1ncc[nH]1 62a_100025796157_100000211926 [1,1,0,0,0,0|2,0,0]=4 1054 B9R1.12 OCCSc1ncco1 62a_100000211926_100011787736 [1,1,0,0,0,0|1,1,0]=4 1055 B9R1.12 OCCSc1ncco1 62a_100011787736_100000211926 [1,1,0,0,0,0|1,1,0]=4 1056 B9R1.12 OCCSc1nccs1 62a_100000211926_100000211983 [1,1,0,0,0,0|1,0,0]=3 1057 B9R1.12 OCCSc1nccs1 62a_100000211983_100000211926 [1,1,0,0,0,0|1,0,0]=3 1058 B9R1.12 OCCSc1ncns1 62a_100000211926_100000693119 [1,1,0,0,0,0|2,0,0]=4 1059 B9R1.12 OCCSc1ncns1 62a_100000693119_100000211926 [1,1,0,0,0,0|2,0,0]=4 1060 B9R1.12 OCCSc1nncs1 62a_100000211926_100000739804 [1,1,0,0,0,0|2,0,0]=4 1061 B9R1.12 OCCSc1nncs1 62a_100000739804_100000211926 [1,1,0,0,0,0|2,0,0]=4 1062 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [1,1,0,0,0,0|1,1,0]=4 1063 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [1,1,0,0,0,0|1,1,0]=4 1064 B9R1.12 [13CH3]NCCc1cccs1 2230a_100000203755_200025704644 [1,1,0,0,0,0|1,0,0]=3 1065 B9R1.12 [13CH3]NCCc1cccs1 34a_100000203755_200025704644 [1,1,0,0,0,0|1,0,0]=3 1066 B9R1.12 [13CH3]NCCc1cncs1 2230a_100016991637_200025704644 [1,1,0,0,0,0|2,0,0]=4 1067 B9R1.12 [13CH3]NCCc1nccs1 2230a_100015186391_200025704644 [1,1,0,0,0,0|0,0,0]=2 1068 B9R1.12 [13CH3]NCCn1cccn1 2230a_100011200920_200025704644 [1,1,0,0,0,0|2,0,0]=4 1069 B9R1.12 [13CH3]OCCc1cccs1 34a_100011216825_200025704644 [1,1,0,0,0,0|1,0,0]=3 1070 B9R1.12 [13CH3]OCCc1cccs1 7a_100011216825_200025704644 [1,1,0,0,0,0|1,0,0]=3 1071 B9R1.12 [13CH3]OCCc1ncc[nH]1 34a_103549771195_200025704644 [1,1,0,0,0,0|1,0,0]=3 1072 B9R1.12 [13CH3]OCCn1cccn1 34a_100000743371_200025704644 [1,1,0,0,0,0|2,0,0]=4 1073 B9R1.12 [13CH3]SCCc1c[nH]cn1 62a_100020628418_200025704644 [1,1,0,0,0,0|2,0,0]=4 1074 B9R1.12 [13CH3]SCCc1c[nH]cn1 62a_200025704644_100020628418 [1,1,0,0,0,0|2,0,0]=4 1075 B9R1.12 [13CH3]SCCc1cccs1 62a_100000748579_200025704644 [1,1,0,0,0,0|1,0,0]=3 1076 B9R1.12 [13CH3]SCCc1cccs1 62a_200025704644_100000748579 [1,1,0,0,0,0|1,0,0]=3 1077 B9R1.12 [13CH3]SCCn1cccn1 62a_100015204718_200025704644 [1,1,0,0,0,0|2,0,0]=4 1078 B9R1.12 [13CH3]SCCn1cccn1 62a_200025704644_100000685285 [1,1,0,0,0,0|2,0,0]=4 1079 B9R1.13 CC(=Cc1nccs1)C 271570a_100102525489_100000211983 [1,1,0,0,0,0|0,0,2]=4 1080 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [1,1,0,0,0,0|1,0,1]=4 1081 B9R1.13 CC(=O)Cc1ncco1 1458a_100000070787_103436540062 [1,1,0,0,0,0|0,1,1]=4 1082 B9R1.13 CC(=O)Cc1nccs1 1458a_100000070787_100015184050 [1,1,0,0,0,0|0,0,1]=3 1083 B9R1.13 CC(C)Nc1ncns1 27a_100138425928_100000693119 [1,1,0,0,0,0|2,0,0]=4 1084 B9R1.13 CC(C)Nc1nncs1 27a_100138425928_100000739804 [1,1,0,0,0,0|2,0,0]=4 1085 B9R1.13 CC(C)Sc1cccs1 62a_100000210206_100011215356 [1,1,0,0,0,0|2,0,0]=4 1086 B9R1.13 CC(C)Sc1cccs1 62a_100011215356_100000210206 [1,1,0,0,0,0|2,0,0]=4 1087 B9R1.13 CC(C)Sc1ncc[nH]1 62a_100000210206_100025796157 [1,1,0,0,0,0|2,0,0]=4 1088 B9R1.13 CC(C)Sc1ncc[nH]1 62a_100025796157_100000210206 [1,1,0,0,0,0|2,0,0]=4 1089 B9R1.13 CC(C)Sc1ncco1 62a_100000210206_100011787736 [1,1,0,0,0,0|1,1,0]=4 1090 B9R1.13 CC(C)Sc1ncco1 62a_100011787736_100000210206 [1,1,0,0,0,0|1,1,0]=4 1091 B9R1.13 CC(C)Sc1nccs1 62a_100000210206_100000211983 [1,1,0,0,0,0|1,0,0]=3 1092 B9R1.13 CC(C)Sc1nccs1 62a_100000211983_100000210206 [1,1,0,0,0,0|1,0,0]=3 1093 B9R1.13 CC(C)Sc1ncns1 62a_100000210206_100000693119 [1,1,0,0,0,0|2,0,0]=4 1094 B9R1.13 CC(C)Sc1ncns1 62a_100000693119_100000210206 [1,1,0,0,0,0|2,0,0]=4 1095 B9R1.13 CC(C)Sc1nncs1 62a_100000210206_100000739804 [1,1,0,0,0,0|2,0,0]=4 1096 B9R1.13 CC(C)Sc1nncs1 62a_100000739804_100000210206 [1,1,0,0,0,0|2,0,0]=4 1097 B9R1.13 CN(C)Cc1cccs1 2230a_100000184426_200000210301 [1,1,0,0,0,0|2,0,0]=4 1098 B9R1.13 CN(C)Cc1cccs1 269982a_100000184426_200000210301 [1,1,0,0,0,0|2,0,0]=4 1099 B9R1.13 CN(C)Cc1cccs1 270004a_100102631434_100000209959 [1,1,0,0,0,0|2,0,0]=4 1100 B9R1.13 CN(C)Cc1ncc[nH]1 2230a_100015184136_200000210301 [1,1,0,0,0,0|2,0,0]=4 1101 B9R1.13 CN(C)Cc1ncc[nH]1 2230a_100102631434_100016991755 [1,1,0,0,0,0|2,0,0]=4 1102 B9R1.13 CN(C)Cc1ncc[nH]1 269982a_100015184136_200000210301 [1,1,0,0,0,0|2,0,0]=4 1103 B9R1.13 CN(C)Cc1ncc[nH]1 269982a_100102631434_100016991755 [1,1,0,0,0,0|2,0,0]=4 1104 B9R1.13 CN(C)Cc1ncco1 2230a_100102631434_103436540062 [1,1,0,0,0,0|1,1,0]=4 1105 B9R1.13 CN(C)Cc1ncco1 269982a_100102631434_103436540062 [1,1,0,0,0,0|1,1,0]=4 1106 B9R1.13 CN(C)Cc1ncco1 270004a_100102631434_100000064290 [1,1,0,0,0,0|1,1,0]=4 1107 B9R1.13 CN(C)Cc1nccs1 2230a_100000765864_200000210301 [1,1,0,0,0,0|1,0,0]=3 1108 B9R1.13 CN(C)Cc1nccs1 2230a_100102631434_100015184050 [1,1,0,0,0,0|1,0,0]=3 1109 B9R1.13 CN(C)Cc1nccs1 269982a_100000765864_200000210301 [1,1,0,0,0,0|1,0,0]=3 1110 B9R1.13 CN(C)Cc1nccs1 269982a_100102631434_100015184050 [1,1,0,0,0,0|1,0,0]=3 1111 B9R1.13 CN(C)Cc1nccs1 270004a_100102631434_100000750902 [1,1,0,0,0,0|1,0,0]=3 1112 B9R1.13 CN([13CH3])Cc1cccs1 2230a_100000184426_200025704644 [1,1,0,0,0,0|2,0,0]=4 1113 B9R1.13 CN([13CH3])Cc1cccs1 269982a_100000184426_200025704644 [1,1,0,0,0,0|2,0,0]=4 1114 B9R1.13 CN([13CH3])Cc1ncc[nH]1 2230a_100015184136_200025704644 [1,1,0,0,0,0|2,0,0]=4 1115 B9R1.13 CN([13CH3])Cc1ncc[nH]1 269982a_100015184136_200025704644 [1,1,0,0,0,0|2,0,0]=4 1116 B9R1.13 CN([13CH3])Cc1nccs1 2230a_100000765864_200025704644 [1,1,0,0,0,0|1,0,0]=3 1117 B9R1.13 CN([13CH3])Cc1nccs1 269982a_100000765864_200025704644 [1,1,0,0,0,0|1,0,0]=3 1118 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [1,1,0,0,0,0|1,0,1]=4 1119 B9R1.33 CCSc1nccn1C 62a_100000210202_100000707724 [1,1,0,0,0,0|2,0,0]=4 1120 B9R1.33 CCSc1nccn1C 62a_100000707724_100000210202 [1,1,0,0,0,0|2,0,0]=4 1121 B9R1.33 CCSc1sccc1Br 62a_100000210202_100012361411 [1,1,0,0,0,0|2,0,0]=4 1122 B9R1.33 CCSc1sccc1Br 62a_100012361411_100000210202 [1,1,0,0,0,0|2,0,0]=4 1123 B9R1.33 CCSc1sccc1C 62a_100000210202_100010247149 [1,1,0,0,0,0|2,0,0]=4 1124 B9R1.33 CCSc1sccc1C 62a_100010247149_100000210202 [1,1,0,0,0,0|2,0,0]=4 1125 B9R1.33 CNCc1nccn1C 207a_100102657272_100000748660 [1,1,0,0,0,0|2,0,0]=4 1126 B9R1.33 CNCc1nccn1C 2230a_100015186572_200000210301 [1,1,0,0,0,0|2,0,0]=4 1127 B9R1.33 CNCc1nccn1C 2230a_106832991635_100000700302 [1,1,0,0,0,0|2,0,0]=4 1128 B9R1.33 CNCc1nccn1C 270004a_106832991635_100000748660 [1,1,0,0,0,0|2,0,0]=4 1129 B9R1.33 CNCc1nccn1C 34a_100102657272_100000700302 [1,1,0,0,0,0|2,0,0]=4 1130 B9R1.33 CNCc1nccn1C 7a_106832991635_100000700302 [1,1,0,0,0,0|2,0,0]=4 1131 B9R1.33 CNCc1sccc1Br 207a_100102657272_100000766043 [1,1,0,0,0,0|2,0,0]=4 1132 B9R1.33 CNCc1sccc1Br 270004a_106832991635_100000766043 [1,1,0,0,0,0|2,0,0]=4 1133 B9R1.33 CNCc1sccc1C 207a_100102657272_100000210881 [1,1,0,0,0,0|2,0,0]=4 1134 B9R1.33 CNCc1sccc1C 2230a_100000238519_200000210301 [1,1,0,0,0,0|2,0,0]=4 1135 B9R1.33 CNCc1sccc1C 270004a_106832991635_100000210881 [1,1,0,0,0,0|2,0,0]=4 1136 B9R1.33 CNCc1sccc1C 34a_100000238519_200000210301 [1,1,0,0,0,0|2,0,0]=4 1137 B9R1.33 CNCc1sccc1Cl 207a_100102657272_100000722334 [1,1,0,0,0,0|2,0,0]=4 1138 B9R1.33 CNCc1sccc1Cl 2230a_100011934584_200000210301 [1,1,0,0,0,0|2,0,0]=4 1139 B9R1.33 CNCc1sccc1Cl 270004a_106832991635_100000722334 [1,1,0,0,0,0|2,0,0]=4 1140 B9R1.33 CNCc1sccc1Cl 34a_100011934584_200000210301 [1,1,0,0,0,0|2,0,0]=4 1141 B9R1.33 CNCc1sccc1O 271570a_203496583355_100000767120 [1,1,0,0,0,0|2,0,0]=4 1142 B9R1.33 COCc1nccn1C 34a_100138415774_100000700302 [1,1,0,0,0,0|2,0,0]=4 1143 B9R1.33 COCc1nccn1C 7a_100000691215_200000210301 [1,1,0,0,0,0|2,0,0]=4 1144 B9R1.33 COCc1sccc1Br 34a_100000702026_200000210301 [1,1,0,0,0,0|2,0,0]=4 1145 B9R1.33 COCc1sccc1C 34a_100000238368_200000210301 [1,1,0,0,0,0|2,0,0]=4 1146 B9R1.33 COCc1sccc1C 7a_100000238368_200000210301 [1,1,0,0,0,0|2,0,0]=4 1147 B9R1.33 COCc1sccc1Cl 34a_100000722387_200000210301 [1,1,0,0,0,0|2,0,0]=4 1148 B9R1.33 COCc1sccc1Cl 7a_100000722387_200000210301 [1,1,0,0,0,0|2,0,0]=4 1149 B9R1.33 CSCc1nccn1C 62a_100000700302_200000210301 [1,1,0,0,0,0|2,0,0]=4 1150 B9R1.33 CSCc1nccn1C 62a_200000210301_100000700302 [1,1,0,0,0,0|2,0,0]=4 1151 B9R1.33 Cc1ccsc1CN[13CH3] 2230a_100000238519_200025704644 [1,1,0,0,0,0|2,0,0]=4 1152 B9R1.33 Cc1ccsc1CN[13CH3] 34a_100000238519_200025704644 [1,1,0,0,0,0|2,0,0]=4 1153 B9R1.33 Cc1ccsc1CO[13CH3] 34a_100000238368_200025704644 [1,1,0,0,0,0|2,0,0]=4 1154 B9R1.33 Cc1ccsc1CO[13CH3] 7a_100000238368_200025704644 [1,1,0,0,0,0|2,0,0]=4 1155 B9R1.33 Cn1ccnc1CN[13CH3] 2230a_100015186572_200025704644 [1,1,0,0,0,0|2,0,0]=4 1156 B9R1.33 Cn1ccnc1CO[13CH3] 7a_100000691215_200025704644 [1,1,0,0,0,0|2,0,0]=4 1157 B9R1.33 Cn1ccnc1CS[13CH3] 62a_100000700302_200025704644 [1,1,0,0,0,0|2,0,0]=4 1158 B9R1.33 Cn1ccnc1CS[13CH3] 62a_200025704644_100000700302 [1,1,0,0,0,0|2,0,0]=4 1159 B9R1.33 [13CH3]NCc1sccc1Cl 2230a_100011934584_200025704644 [1,1,0,0,0,0|2,0,0]=4 1160 B9R1.33 [13CH3]NCc1sccc1Cl 34a_100011934584_200025704644 [1,1,0,0,0,0|2,0,0]=4 1161 B9R1.33 [13CH3]OCc1sccc1Br 34a_100000702026_200025704644 [1,1,0,0,0,0|2,0,0]=4 1162 B9R1.33 [13CH3]OCc1sccc1Cl 34a_100000722387_200025704644 [1,1,0,0,0,0|2,0,0]=4 1163 B9R1.33 [13CH3]OCc1sccc1Cl 7a_100000722387_200025704644 [1,1,0,0,0,0|2,0,0]=4 1164 B11R1.7 CC(C)(N[13CH3])c1ccccn1 2230a_100011999416_200025704644 [0,1,0,0,0,1|2,0,0]=4 1165 B11R1.7 CC(C)(N[13CH3])c1cccnc1 2230a_100011376175_200025704644 [0,1,0,0,0,1|2,0,0]=4 1166 B11R1.7 CC(C)(O[13CH3])c1ccccn1 7a_100000041474_200025704644 [0,1,0,0,0,1|2,0,0]=4 1167 B11R1.7 CNC(C)(C)c1ccccn1 2230a_100011999416_200000210301 [0,1,0,0,0,1|2,0,0]=4 1168 B11R1.7 CNC(C)(C)c1cccnc1 2230a_100011376175_200000210301 [0,1,0,0,0,1|2,0,0]=4 1169 B11R1.7 COC(C)(C)c1ccccn1 7a_100000041474_200000210301 [0,1,0,0,0,1|2,0,0]=4 1170 B11R1.12 CCC(NC)c1ccccc1 2230a_100000737752_200000210301 [0,1,0,0,0,1|2,0,0]=4 1171 B11R1.12 CCC(NC)c1ccccc1 269862a_106832991636_100000210124 [0,1,0,0,0,1|2,0,0]=4 1172 B11R1.12 CCC(NC)c1ccccn1 2230a_100015186561_200000210301 [0,1,0,0,0,1|1,0,0]=3 1173 B11R1.12 CCC(NC)c1ccccn1 269862a_106832991636_100000748178 [0,1,0,0,0,1|1,0,0]=3 1174 B11R1.12 CCC(NC)c1cccnc1 2230a_100000246009_200000210301 [0,1,0,0,0,1|1,0,0]=3 1175 B11R1.12 CCC(NC)c1cccnc1 269862a_106832991636_100011218761 [0,1,0,0,0,1|1,0,0]=3 1176 B11R1.12 CCC(NC)c1ccncc1 269862a_106832991636_100011216016 [0,1,0,0,0,1|2,0,0]=4 1177 B11R1.12 CCC(NC)c1cnccn1 2230a_200016994365_200000210301 [0,1,0,0,0,1|1,0,0]=3 1178 B11R1.12 CCC(NC)c1ncccn1 269862a_106832991636_200011350823 [0,1,0,0,0,1|1,0,0]=3 1179 B11R1.12 CCC(NC)c1ncccn1 270004a_106832991635_200011350823 [0,1,0,0,0,1|1,0,0]=3 1180 B11R1.12 CCC(N[13CH3])c1ccccc1 2230a_100000737752_200025704644 [0,1,0,0,0,1|2,0,0]=4 1181 B11R1.12 CCC(N[13CH3])c1ccccn1 2230a_100015186561_200025704644 [0,1,0,0,0,1|1,0,0]=3 1182 B11R1.12 CCC(N[13CH3])c1cccnc1 2230a_100000246009_200025704644 [0,1,0,0,0,1|1,0,0]=3 1183 B11R1.12 CCC(N[13CH3])c1cnccn1 2230a_200016994365_200025704644 [0,1,0,0,0,1|1,0,0]=3 1184 B11R1.12 CCC(OC)c1ccccc1 34a_100000698172_200000210301 [0,1,0,0,0,1|2,0,0]=4 1185 B11R1.12 CCC(OC)c1ccccc1 7a_100000698172_200000210301 [0,1,0,0,0,1|2,0,0]=4 1186 B11R1.12 CCC(O[13CH3])c1ccccc1 34a_100000698172_200025704644 [0,1,0,0,0,1|2,0,0]=4 1187 B11R1.12 CCC(O[13CH3])c1ccccc1 7a_100000698172_200025704644 [0,1,0,0,0,1|2,0,0]=4 1188 B11R1.12 CCN(CC)c1cccnn1 27a_100000724800_100016991348 [0,1,0,0,0,1|2,0,0]=4 1189 B11R1.12 CCN(CC)c1ccncn1 27a_100000724800_100000703185 [0,1,0,0,0,1|2,0,0]=4 1190 B11R1.12 CCN(CC)c1cnccn1 27a_100000724800_100000211759 [0,1,0,0,0,1|2,0,0]=4 1191 B11R1.12 CCN(CC)c1ncccn1 27a_100000724800_100000211032 [0,1,0,0,0,1|2,0,0]=4 1192 B11R1.12 CNC(CO)c1ccccn1 2230a_100015196888_200000210301 [0,1,0,0,0,1|2,0,0]=4 1193 B11R1.12 [13CH3]NC(CO)c1ccccn1 2230a_100015196888_200025704644 [0,1,0,0,0,1|2,0,0]=4 1194 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [0,1,0,0,0,1|2,0,0]=4 1195 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [0,1,0,0,0,1|2,0,0]=4 1196 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [0,1,0,0,0,1|2,0,0]=4 1197 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [0,1,0,0,0,1|2,0,0]=4 1198 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [0,1,0,0,0,1|2,0,0]=4 1199 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [0,1,0,0,0,1|2,0,0]=4 1200 B11R1.16 CC(SCF)c1cnccn1 62a_100015361967_200000703233 [0,1,0,0,0,1|2,0,0]=4 1201 B11R1.16 CC(SCF)c1cnccn1 62a_200000703233_100015361967 [0,1,0,0,0,1|2,0,0]=4 1202 B11R1.16 CCCN(C)c1cccnn1 27a_100000747261_100016991348 [0,1,0,0,0,1|2,0,0]=4 1203 B11R1.16 CCCN(C)c1ccncn1 27a_100000747261_100000703185 [0,1,0,0,0,1|2,0,0]=4 1204 B11R1.16 CCCN(C)c1cnccn1 27a_100000747261_100000211759 [0,1,0,0,0,1|2,0,0]=4 1205 B11R1.16 CCCN(C)c1ncccn1 27a_100000747261_100000211032 [0,1,0,0,0,1|2,0,0]=4 1206 B11R1.16 CCNC(C)c1ccccc1 2230a_100015525214_100000230085 [0,1,0,0,0,1|2,0,0]=4 1207 B11R1.16 CCNC(C)c1ccccc1 269862a_100015525214_100000185851 [0,1,0,0,0,1|2,0,0]=4 1208 B11R1.16 CCNC(C)c1ccccn1 2230a_100000181244_100000210202 [0,1,0,0,0,1|1,0,0]=3 1209 B11R1.16 CCNC(C)c1ccccn1 269862a_100015525214_100000210467 [0,1,0,0,0,1|1,0,0]=3 1210 B11R1.16 CCNC(C)c1cccnc1 2230a_100000195435_100000210202 [0,1,0,0,0,1|1,0,0]=3 1211 B11R1.16 CCNC(C)c1cccnc1 269862a_100015525214_100000210468 [0,1,0,0,0,1|1,0,0]=3 1212 B11R1.16 CCNC(C)c1cccnn1 269862a_100015525214_100009866853 [0,1,0,0,0,1|1,0,0]=3 1213 B11R1.16 CCNC(C)c1ccncc1 2230a_100000181269_100000210202 [0,1,0,0,0,1|2,0,0]=4 1214 B11R1.16 CCNC(C)c1ccncc1 269862a_100015525214_100000185792 [0,1,0,0,0,1|2,0,0]=4 1215 B11R1.16 CCNC(C)c1ccnnc1 269862a_100015525214_100012182992 [0,1,0,0,0,1|2,0,0]=4 1216 B11R1.16 CCNC(C)c1cnccn1 2230a_100015525214_200000703233 [0,1,0,0,0,1|1,0,0]=3 1217 B11R1.16 CCNC(C)c1cnccn1 269862a_100015525214_100000751083 [0,1,0,0,0,1|1,0,0]=3 1218 B11R1.16 CCNC(C)c1cncnc1 269862a_100015525214_100000757475 [0,1,0,0,0,1|2,0,0]=4 1219 B11R1.16 CCNC(C)c1ncccn1 2230a_100020641698_100000210202 [0,1,0,0,0,1|1,0,0]=3 1220 B11R1.16 CCNC(C)c1ncccn1 270004a_100015525214_100011350828 [0,1,0,0,0,1|1,0,0]=3 1221 B11R1.16 CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210202 [0,1,0,0,0,1|2,0,0]=4 1222 B11R1.16 CCN[C@H](C)c1cnccn1 2230a_100020589798_100000210202 [0,1,0,0,0,1|1,0,0]=3 1223 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [0,1,0,0,0,1|2,0,0]=4 1224 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [0,1,0,0,0,1|2,0,0]=4 1225 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [0,1,0,0,0,1|2,0,0]=4 1226 B11R1.16 CCSC(C)c1ccccc1 62a_100000210202_100000230085 [0,1,0,0,0,1|2,0,0]=4 1227 B11R1.16 CCSC(C)c1ccccc1 62a_100000230085_100000210202 [0,1,0,0,0,1|2,0,0]=4 1228 B11R1.16 CCSC(C)c1cnccn1 62a_100000210202_200000703233 [0,1,0,0,0,1|1,0,0]=3 1229 B11R1.16 CCSC(C)c1cnccn1 62a_200000703233_100000210202 [0,1,0,0,0,1|1,0,0]=3 1230 B11R1.16 CN(CCO)c1cccnn1 27a_100000210263_100016991348 [0,1,0,0,0,1|2,0,0]=4 1231 B11R1.16 CN(CCO)c1ccncn1 27a_100000210263_100000703185 [0,1,0,0,0,1|2,0,0]=4 1232 B11R1.16 CN(CCO)c1cnccn1 27a_100000210263_100000211759 [0,1,0,0,0,1|2,0,0]=4 1233 B11R1.16 CN(CCO)c1ncccn1 27a_100000210263_100000211032 [0,1,0,0,0,1|2,0,0]=4 1234 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [0,1,0,0,0,1|2,0,0]=4 1235 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [0,1,0,0,0,1|2,0,0]=4 1236 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [0,1,0,0,0,1|2,0,0]=4 1237 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [0,1,0,0,0,1|2,0,0]=4 1238 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [0,1,0,0,0,1|2,0,0]=4 1239 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [0,1,0,0,0,1|2,0,0]=4 1240 B11R1.16 CNCC(O)c1ccccn1 2230a_100000691469_200000210301 [0,1,0,0,0,1|2,0,0]=4 1241 B11R1.16 CNCC(O)c1cccnc1 2230a_100020605170_200000210301 [0,1,0,0,0,1|2,0,0]=4 1242 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [0,1,0,0,0,1|2,0,0]=4 1243 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [0,1,0,0,0,1|2,0,0]=4 1244 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [0,1,0,0,0,1|2,0,0]=4 1245 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [0,1,0,0,0,1|2,0,0]=4 1246 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [0,1,0,0,0,1|2,0,0]=4 1247 B11R1.16 [13CH3]NCC(O)c1ccccn1 2230a_100000691469_200025704644 [0,1,0,0,0,1|2,0,0]=4 1248 B11R1.16 [13CH3]NCC(O)c1cccnc1 2230a_100020605170_200025704644 [0,1,0,0,0,1|2,0,0]=4 1249 B11R1.22 CC(N[13CH3])c1ccc(cn1)Br 2230a_100000723930_200025704644 [0,1,0,0,0,1|2,0,0]=4 1250 B11R1.22 CC(O[13CH3])c1ccc(cn1)Br 34a_100012353650_200025704644 [0,1,0,0,0,1|2,0,0]=4 1251 B11R1.22 CC(O[13CH3])c1ccc(cn1)Br 7a_100012353650_200025704644 [0,1,0,0,0,1|2,0,0]=4 1252 B11R1.22 CC(O[13CH3])c1ccc(nc1)Br 34a_200010274204_200025704644 [0,1,0,0,0,1|2,0,0]=4 1253 B11R1.22 CC(O[13CH3])c1ccc(nc1)Br 7a_200010274204_200025704644 [0,1,0,0,0,1|2,0,0]=4 1254 B11R1.22 CC(O[13CH3])c1ccc(nc1)Cl 34a_200012017543_200025704644 [0,1,0,0,0,1|2,0,0]=4 1255 B11R1.22 CC(O[13CH3])c1ccc(nc1)Cl 7a_200012017543_200025704644 [0,1,0,0,0,1|2,0,0]=4 1256 B11R1.22 CCC(C)c1ccc(cc1)O 271570a_203496583355_100011221364 [0,1,0,0,0,1|2,0,0]=4 1257 B11R1.22 CNC(C)c1ccc(cn1)Br 2230a_100000723930_200000210301 [0,1,0,0,0,1|2,0,0]=4 1258 B11R1.22 CNC(C)c1ccc(cn1)Br 269862a_106832991636_100000686046 [0,1,0,0,0,1|2,0,0]=4 1259 B11R1.22 CNC(C)c1ccc(cn1)Br 270004a_106832991635_100000686046 [0,1,0,0,0,1|2,0,0]=4 1260 B11R1.22 CNC(C)c1ccc(cn1)C 269862a_106832991636_100000084104 [0,1,0,0,0,1|2,0,0]=4 1261 B11R1.22 CNC(C)c1ccc(cn1)C 270004a_106832991635_100000084104 [0,1,0,0,0,1|2,0,0]=4 1262 B11R1.22 CNC(C)c1ccc(cn1)Cl 269862a_106832991636_100000692432 [0,1,0,0,0,1|2,0,0]=4 1263 B11R1.22 CNC(C)c1ccc(cn1)Cl 270004a_106832991635_100000692432 [0,1,0,0,0,1|2,0,0]=4 1264 B11R1.22 CNC(C)c1ccc(cn1)F 269862a_106832991636_100102946652 [0,1,0,0,0,1|2,0,0]=4 1265 B11R1.22 CNC(C)c1ccc(cn1)F 270004a_106832991635_100102946652 [0,1,0,0,0,1|2,0,0]=4 1266 B11R1.22 CNC(C)c1ccc(nc1)Br 269862a_106832991636_100000684857 [0,1,0,0,0,1|2,0,0]=4 1267 B11R1.22 CNC(C)c1ccc(nc1)C 2230a_100011815741_200000210301 [0,1,0,0,0,1|2,0,0]=4 1268 B11R1.22 CNC(C)c1ccc(nc1)C 269862a_106832991636_100011280547 [0,1,0,0,0,1|2,0,0]=4 1269 B11R1.22 CNC(C)c1ccc(nc1)C 34a_100011815741_200000210301 [0,1,0,0,0,1|2,0,0]=4 1270 B11R1.22 CNC(C)c1ccc(nc1)Cl 269862a_106832991636_100000690552 [0,1,0,0,0,1|2,0,0]=4 1271 B11R1.22 CNC(C)c1ccc(nc1)F 269862a_106832991636_100000085738 [0,1,0,0,0,1|2,0,0]=4 1272 B11R1.22 CNC(C)c1cnc(cn1)Cl 269862a_106832991636_100009883172 [0,1,0,0,0,1|2,0,0]=4 1273 B11R1.22 CNC(C)c1cnc(cn1)Cl 270004a_106832991635_100009883172 [0,1,0,0,0,1|2,0,0]=4 1274 B11R1.22 CNC(C)c1ncc(cn1)Br 269862a_106832991636_100010077182 [0,1,0,0,0,1|2,0,0]=4 1275 B11R1.22 CNC(C)c1ncc(cn1)Br 270004a_106832991635_100010077182 [0,1,0,0,0,1|2,0,0]=4 1276 B11R1.22 CNC(C)c1ncc(cn1)F 269862a_106832991636_200009841639 [0,1,0,0,0,1|2,0,0]=4 1277 B11R1.22 CNC(C)c1ncc(cn1)F 270004a_106832991635_200009841639 [0,1,0,0,0,1|2,0,0]=4 1278 B11R1.22 CN[C@@H](C)c1ccc(nc1)Br 2230a_100015387476_200000210301 [0,1,0,0,0,1|2,0,0]=4 1279 B11R1.22 COC(C)c1ccc(cn1)Br 34a_100012353650_200000210301 [0,1,0,0,0,1|2,0,0]=4 1280 B11R1.22 COC(C)c1ccc(cn1)Br 7a_100012353650_200000210301 [0,1,0,0,0,1|2,0,0]=4 1281 B11R1.22 COC(C)c1ccc(nc1)Br 34a_200010274204_200000210301 [0,1,0,0,0,1|2,0,0]=4 1282 B11R1.22 COC(C)c1ccc(nc1)Br 7a_200010274204_200000210301 [0,1,0,0,0,1|2,0,0]=4 1283 B11R1.22 COC(C)c1ccc(nc1)C 34a_200011815720_200000210301 [0,1,0,0,0,1|2,0,0]=4 1284 B11R1.22 COC(C)c1ccc(nc1)C 7a_200011815720_200000210301 [0,1,0,0,0,1|2,0,0]=4 1285 B11R1.22 COC(C)c1ccc(nc1)Cl 34a_200012017543_200000210301 [0,1,0,0,0,1|2,0,0]=4 1286 B11R1.22 COC(C)c1ccc(nc1)Cl 7a_200012017543_200000210301 [0,1,0,0,0,1|2,0,0]=4 1287 B11R1.22 C[C@H](N[13CH3])c1ccc(nc1)Br 2230a_100015387476_200025704644 [0,1,0,0,0,1|2,0,0]=4 1288 B11R1.22 Cc1ccc(cn1)C(C)N[13CH3] 2230a_100011815741_200025704644 [0,1,0,0,0,1|2,0,0]=4 1289 B11R1.22 Cc1ccc(cn1)C(C)N[13CH3] 34a_100011815741_200025704644 [0,1,0,0,0,1|2,0,0]=4 1290 B11R1.22 Cc1ccc(cn1)C(C)O[13CH3] 34a_200011815720_200025704644 [0,1,0,0,0,1|2,0,0]=4 1291 B11R1.22 Cc1ccc(cn1)C(C)O[13CH3] 7a_200011815720_200025704644 [0,1,0,0,0,1|2,0,0]=4 1292 B11R1.23 CC(N[13CH3])c1cccc(n1)Br 2230a_200010173468_200025704644 [0,1,0,0,0,1|2,0,0]=4 1293 B11R1.23 CC(O[13CH3])c1cc(ccn1)Cl 7a_100000144657_200025704644 [0,1,0,0,0,1|2,0,0]=4 1294 B11R1.23 CC(O[13CH3])c1cccc(n1)Br 7a_100009820884_200025704644 [0,1,0,0,0,1|2,0,0]=4 1295 B11R1.23 CC(O[13CH3])c1cncc(c1)Br 34a_100012351597_200025704644 [0,1,0,0,0,1|2,0,0]=4 1296 B11R1.23 CC(O[13CH3])c1cncc(c1)Br 7a_100012351597_200025704644 [0,1,0,0,0,1|2,0,0]=4 1297 B11R1.23 CCN(C)c1cc(ncn1)O 271570a_203496583355_200011443306 [0,1,0,0,0,1|2,0,0]=4 1298 B11R1.23 CNC(C)c1cc(ccn1)Br 269862a_106832991636_100000709912 [0,1,0,0,0,1|2,0,0]=4 1299 B11R1.23 CNC(C)c1cc(ccn1)Br 270004a_106832991635_100000709912 [0,1,0,0,0,1|2,0,0]=4 1300 B11R1.23 CNC(C)c1cc(ccn1)C 2230a_100011933787_200000210301 [0,1,0,0,0,1|2,0,0]=4 1301 B11R1.23 CNC(C)c1cc(ccn1)C 269862a_106832991636_100000728896 [0,1,0,0,0,1|2,0,0]=4 1302 B11R1.23 CNC(C)c1cc(ccn1)C 270004a_106832991635_100000728896 [0,1,0,0,0,1|2,0,0]=4 1303 B11R1.23 CNC(C)c1cc(ccn1)Cl 269862a_106832991636_100000099826 [0,1,0,0,0,1|2,0,0]=4 1304 B11R1.23 CNC(C)c1cc(ccn1)Cl 270004a_106832991635_100000099826 [0,1,0,0,0,1|2,0,0]=4 1305 B11R1.23 CNC(C)c1cc(ncn1)C 269862a_106832991636_100000092262 [0,1,0,0,0,1|2,0,0]=4 1306 B11R1.23 CNC(C)c1cccc(n1)Br 2230a_200010173468_200000210301 [0,1,0,0,0,1|2,0,0]=4 1307 B11R1.23 CNC(C)c1cccc(n1)Br 269862a_106832991636_100009816502 [0,1,0,0,0,1|2,0,0]=4 1308 B11R1.23 CNC(C)c1cccc(n1)C 2230a_100011877385_200000210301 [0,1,0,0,0,1|2,0,0]=4 1309 B11R1.23 CNC(C)c1cccc(n1)C 269862a_106832991636_100011877301 [0,1,0,0,0,1|2,0,0]=4 1310 B11R1.23 CNC(C)c1cccc(n1)Cl 269862a_106832991636_100000085735 [0,1,0,0,0,1|2,0,0]=4 1311 B11R1.23 CNC(C)c1cccc(n1)F 269862a_106832991636_100000092306 [0,1,0,0,0,1|2,0,0]=4 1312 B11R1.23 CNC(C)c1cncc(c1)Br 269862a_106832991636_100011216243 [0,1,0,0,0,1|2,0,0]=4 1313 B11R1.23 CNC(C)c1cncc(c1)C 269862a_106832991636_100000702010 [0,1,0,0,0,1|2,0,0]=4 1314 B11R1.23 CNC(C)c1cncc(c1)F 269862a_106832991636_100000758212 [0,1,0,0,0,1|2,0,0]=4 1315 B11R1.23 CN[C@@H](C)c1cccc(n1)F 2230a_100025709760_200000210301 [0,1,0,0,0,1|2,0,0]=4 1316 B11R1.23 CN[C@@H](C)c1cccc(n1)F 34a_100025709760_200000210301 [0,1,0,0,0,1|2,0,0]=4 1317 B11R1.23 CN[C@H](C)c1cncc(c1)Br 2230a_100012350620_200000210301 [0,1,0,0,0,1|2,0,0]=4 1318 B11R1.23 COC(C)c1cc(ccn1)Cl 7a_100000144657_200000210301 [0,1,0,0,0,1|2,0,0]=4 1319 B11R1.23 COC(C)c1cccc(n1)Br 7a_100009820884_200000210301 [0,1,0,0,0,1|2,0,0]=4 1320 B11R1.23 COC(C)c1cccc(n1)C 34a_200011877368_200000210301 [0,1,0,0,0,1|2,0,0]=4 1321 B11R1.23 COC(C)c1cccc(n1)C 7a_200011877368_200000210301 [0,1,0,0,0,1|2,0,0]=4 1322 B11R1.23 COC(C)c1cncc(c1)Br 34a_100012351597_200000210301 [0,1,0,0,0,1|2,0,0]=4 1323 B11R1.23 COC(C)c1cncc(c1)Br 7a_100012351597_200000210301 [0,1,0,0,0,1|2,0,0]=4 1324 B11R1.23 C[C@@H](N[13CH3])c1cncc(c1)Br 2230a_100012350620_200025704644 [0,1,0,0,0,1|2,0,0]=4 1325 B11R1.23 C[C@H](N[13CH3])c1cccc(n1)F 2230a_100025709760_200025704644 [0,1,0,0,0,1|2,0,0]=4 1326 B11R1.23 C[C@H](N[13CH3])c1cccc(n1)F 34a_100025709760_200025704644 [0,1,0,0,0,1|2,0,0]=4 1327 B11R1.23 Cc1cccc(n1)C(C)N[13CH3] 2230a_100011877385_200025704644 [0,1,0,0,0,1|2,0,0]=4 1328 B11R1.23 Cc1cccc(n1)C(C)O[13CH3] 34a_200011877368_200025704644 [0,1,0,0,0,1|2,0,0]=4 1329 B11R1.23 Cc1cccc(n1)C(C)O[13CH3] 7a_200011877368_200025704644 [0,1,0,0,0,1|2,0,0]=4 1330 B11R1.23 Cc1ccnc(c1)C(C)N[13CH3] 2230a_100011933787_200025704644 [0,1,0,0,0,1|2,0,0]=4 1331 B11R1.36 CC(=O)C(C)c1ccccn1 1458a_100000722050_200000210301 [0,1,0,0,0,1|1,0,1]=4 1332 B11R1.36 CC(=O)C(C)c1cnccn1 1458a_100000070787_200000703233 [0,1,0,0,0,1|1,0,1]=4 1333 B11R1.36 CC(C(=O)[13CH3])c1ccccn1 1458a_100000722050_200025704644 [0,1,0,0,0,1|1,0,1]=4 1334 B11R1.36 CC(C)N(C)c1cccnn1 27a_200000211004_100016991348 [0,1,0,0,0,1|2,0,0]=4 1335 B11R1.36 CC(C)N(C)c1ccncn1 27a_200000211004_100000703185 [0,1,0,0,0,1|2,0,0]=4 1336 B11R1.36 CC(C)N(C)c1cnccn1 27a_200000211004_100000211759 [0,1,0,0,0,1|2,0,0]=4 1337 B11R1.36 CC(C)N(C)c1ncccn1 27a_200000211004_100000211032 [0,1,0,0,0,1|2,0,0]=4 1338 B11R1.36 CC(c1ccccn1)N(C)C 2230a_100000231138_200000210301 [0,1,0,0,0,1|2,0,0]=4 1339 B11R1.36 CC(c1ccccn1)N(C)C 269982a_100000231138_200000210301 [0,1,0,0,0,1|2,0,0]=4 1340 B11R1.36 CC(c1ccccn1)N(C)[13CH3] 2230a_100000231138_200025704644 [0,1,0,0,0,1|2,0,0]=4 1341 B11R1.36 CC(c1ccccn1)N(C)[13CH3] 269982a_100000231138_200025704644 [0,1,0,0,0,1|2,0,0]=4 1342 B11R1.36 CC(c1cccnc1)N(C)C 2230a_100000232774_200000210301 [0,1,0,0,0,1|2,0,0]=4 1343 B11R1.36 CC(c1cccnc1)N(C)C 269982a_100000232774_200000210301 [0,1,0,0,0,1|2,0,0]=4 1344 B11R1.36 CC(c1cccnc1)N(C)[13CH3] 2230a_100000232774_200025704644 [0,1,0,0,0,1|2,0,0]=4 1345 B11R1.36 CC(c1cccnc1)N(C)[13CH3] 269982a_100000232774_200025704644 [0,1,0,0,0,1|2,0,0]=4 1346 B11R1.36 CC(c1cnccn1)N(C)C 2230a_100102631434_200000703233 [0,1,0,0,0,1|2,0,0]=4 1347 B11R1.36 CC(c1cnccn1)N(C)C 269982a_100102631434_200000703233 [0,1,0,0,0,1|2,0,0]=4 1348 B11R1.36 CC(c1ncccn1)N(C)C 270004a_100102631434_100011350828 [0,1,0,0,0,1|2,0,0]=4 1349 B11R1.222 CC(N[13CH3])c1cccnc1O 2230a_100159269580_200025704644 [0,1,0,0,0,1|2,0,0]=4 1350 B11R1.222 CC(N[13CH3])c1ncccc1Br 2230a_100159271932_200025704644 [0,1,0,0,0,1|2,0,0]=4 1351 B11R1.222 CC(O[13CH3])c1cccnc1Cl 34a_100009865335_200025704644 [0,1,0,0,0,1|2,0,0]=4 1352 B11R1.222 CC(O[13CH3])c1cccnc1Cl 7a_100009865335_200025704644 [0,1,0,0,0,1|2,0,0]=4 1353 B11R1.222 CNC(C)c1cccnc1C 269862a_106832991636_100011995960 [0,1,0,0,0,1|2,0,0]=4 1354 B11R1.222 CNC(C)c1cccnc1O 2230a_100159269580_200000210301 [0,1,0,0,0,1|2,0,0]=4 1355 B11R1.222 CNC(C)c1cnccc1C 269862a_106832991636_100000693228 [0,1,0,0,0,1|2,0,0]=4 1356 B11R1.222 CNC(C)c1cnccc1Cl 269862a_106832991636_100160469449 [0,1,0,0,0,1|2,0,0]=4 1357 B11R1.222 CNC(C)c1ncccc1Br 2230a_100159271932_200000210301 [0,1,0,0,0,1|2,0,0]=4 1358 B11R1.222 CNC(C)c1ncccc1Br 269862a_106832991636_100012348690 [0,1,0,0,0,1|2,0,0]=4 1359 B11R1.222 CNC(C)c1ncccc1C 2230a_100011536111_200000210301 [0,1,0,0,0,1|2,0,0]=4 1360 B11R1.222 CNC(C)c1ncccc1C 269862a_106832991636_100011536074 [0,1,0,0,0,1|2,0,0]=4 1361 B11R1.222 CNC(C)c1ncccc1Cl 269862a_106832991636_100015267551 [0,1,0,0,0,1|2,0,0]=4 1362 B11R1.222 CNC(C)c1ncccc1F 269862a_106832991636_100011997767 [0,1,0,0,0,1|2,0,0]=4 1363 B11R1.222 CNC(C)c1ncccc1I 269862a_106832991636_200015599370 [0,1,0,0,0,1|2,0,0]=4 1364 B11R1.222 CNC(C)c1nccnc1C 269862a_106832991636_100000702048 [0,1,0,0,0,1|2,0,0]=4 1365 B11R1.222 CNC(C)c1nccnc1Cl 269862a_106832991636_100000099859 [0,1,0,0,0,1|2,0,0]=4 1366 B11R1.222 COC(C)c1cccnc1Cl 34a_100009865335_200000210301 [0,1,0,0,0,1|2,0,0]=4 1367 B11R1.222 COC(C)c1cccnc1Cl 7a_100009865335_200000210301 [0,1,0,0,0,1|2,0,0]=4 1368 B11R1.222 CO[C@@H](C)c1ncccc1Br 7a_100013325542_200000210301 [0,1,0,0,0,1|2,0,0]=4 1369 B11R1.222 CO[C@@H](C)c1ncccc1O 271570a_203496583355_106256553109 [0,1,0,0,0,1|2,0,0]=4 1370 B11R1.222 C[C@H](O[13CH3])c1ncccc1Br 7a_100013325542_200025704644 [0,1,0,0,0,1|2,0,0]=4 1371 B11R1.222 Cc1cccnc1C(C)N[13CH3] 2230a_100011536111_200025704644 [0,1,0,0,0,1|2,0,0]=4 1372 B11R1.30 C#CCN(C)Cc1nccs1 2230a_100000225692_100015184050 [0,1,0,0,0,1|1,0,1]=4 1373 B11R1.30 C#CCN(C)Cc1nccs1 2230a_100000765864_100000038162 [0,1,0,0,0,1|1,0,1]=4 1374 B11R1.30 C#CCN(C)Cc1nccs1 270004a_100000225692_100000750902 [0,1,0,0,0,1|1,0,1]=4 1375 B11R1.30 C#CCN(C)Cc1nccs1 34a_100000225692_100015184050 [0,1,0,0,0,1|1,0,1]=4 1376 B11R1.30 C=CCN(C)Cc1nccs1 2230a_100000225617_100015184050 [0,1,0,0,0,1|1,0,1]=4 1377 B11R1.30 C=CCN(C)Cc1nccs1 2230a_100000765864_100000210623 [0,1,0,0,0,1|1,0,1]=4 1378 B11R1.30 C=CCN(C)Cc1nccs1 269982a_100000225617_100015184050 [0,1,0,0,0,1|1,0,1]=4 1379 B11R1.30 C=CCN(C)Cc1nccs1 269982a_100000765864_100000210623 [0,1,0,0,0,1|1,0,1]=4 1380 B11R1.30 C=CCN(C)Cc1nccs1 270004a_100000225617_100000750902 [0,1,0,0,0,1|1,0,1]=4 1381 B11R1.30 CC(CC#N)Sc1cccs1 62a_100009813641_100011215356 [0,1,0,0,0,1|1,0,1]=4 1382 B11R1.30 CC(CC#N)Sc1cccs1 62a_100011215356_100009813641 [0,1,0,0,0,1|1,0,1]=4 1383 B11R1.30 CC(CC#N)Sc1ncc[nH]1 62a_100009813641_100025796157 [0,1,0,0,0,1|1,0,1]=4 1384 B11R1.30 CC(CC#N)Sc1ncc[nH]1 62a_100025796157_100009813641 [0,1,0,0,0,1|1,0,1]=4 1385 B11R1.30 CC(CC#N)Sc1ncco1 62a_100009813641_100011787736 [0,1,0,0,0,1|0,1,1]=4 1386 B11R1.30 CC(CC#N)Sc1ncco1 62a_100011787736_100009813641 [0,1,0,0,0,1|0,1,1]=4 1387 B11R1.30 CC(CC#N)Sc1nccs1 62a_100000211983_100009813641 [0,1,0,0,0,1|0,0,1]=3 1388 B11R1.30 CC(CC#N)Sc1nccs1 62a_100009813641_100000211983 [0,1,0,0,0,1|0,0,1]=3 1389 B11R1.30 CC(CC#N)Sc1ncns1 62a_100000693119_100009813641 [0,1,0,0,0,1|1,0,1]=4 1390 B11R1.30 CC(CC#N)Sc1ncns1 62a_100009813641_100000693119 [0,1,0,0,0,1|1,0,1]=4 1391 B11R1.30 CC(CC#N)Sc1nncs1 62a_100000739804_100009813641 [0,1,0,0,0,1|1,0,1]=4 1392 B11R1.30 CC(CC#N)Sc1nncs1 62a_100009813641_100000739804 [0,1,0,0,0,1|1,0,1]=4 1393 B11R1.30 CC(CCO)Sc1c[nH]cn1 62a_100000756875_100009893172 [0,1,0,0,0,1|2,0,0]=4 1394 B11R1.30 CC(CCO)Sc1c[nH]cn1 62a_100009893172_100000756875 [0,1,0,0,0,1|2,0,0]=4 1395 B11R1.30 CC(CCO)Sc1cc[nH]n1 62a_100000062575_100009893172 [0,1,0,0,0,1|2,0,0]=4 1396 B11R1.30 CC(CCO)Sc1cc[nH]n1 62a_100009893172_100000062575 [0,1,0,0,0,1|2,0,0]=4 1397 B11R1.30 CC(CCO)Sc1ccco1 62a_100009814098_100009893172 [0,1,0,0,0,1|1,1,0]=4 1398 B11R1.30 CC(CCO)Sc1ccco1 62a_100009893172_100009814098 [0,1,0,0,0,1|1,1,0]=4 1399 B11R1.30 CC(CCO)Sc1cccs1 62a_100009893172_100011215356 [0,1,0,0,0,1|1,0,0]=3 1400 B11R1.30 CC(CCO)Sc1cccs1 62a_100011215356_100009893172 [0,1,0,0,0,1|1,0,0]=3 1401 B11R1.30 CC(CCO)Sc1ccon1 62a_100009818083_100009893172 [0,1,0,0,0,1|2,0,0]=4 1402 B11R1.30 CC(CCO)Sc1ccon1 62a_100009893172_100009818083 [0,1,0,0,0,1|2,0,0]=4 1403 B11R1.30 CC(CCO)Sc1ccsn1 62a_100009818082_100009893172 [0,1,0,0,0,1|2,0,0]=4 1404 B11R1.30 CC(CCO)Sc1ccsn1 62a_100009893172_100009818082 [0,1,0,0,0,1|2,0,0]=4 1405 B11R1.30 CC(CCO)Sc1cncs1 62a_100009893172_100011934649 [0,1,0,0,0,1|2,0,0]=4 1406 B11R1.30 CC(CCO)Sc1cncs1 62a_100011934649_100009893172 [0,1,0,0,0,1|2,0,0]=4 1407 B11R1.30 CC(CCO)Sc1cscn1 62a_100000751502_100009893172 [0,1,0,0,0,1|2,0,0]=4 1408 B11R1.30 CC(CCO)Sc1cscn1 62a_100009893172_100000751502 [0,1,0,0,0,1|2,0,0]=4 1409 B11R1.30 CC(CCO)Sc1nc[nH]n1 62a_100000761765_100009893172 [0,1,0,0,0,1|2,0,0]=4 1410 B11R1.30 CC(CCO)Sc1nc[nH]n1 62a_100009893172_100000761765 [0,1,0,0,0,1|2,0,0]=4 1411 B11R1.30 CC(CCO)Sc1ncc[nH]1 62a_100009893172_100025796157 [0,1,0,0,0,1|1,0,0]=3 1412 B11R1.30 CC(CCO)Sc1ncc[nH]1 62a_100025796157_100009893172 [0,1,0,0,0,1|1,0,0]=3 1413 B11R1.30 CC(CCO)Sc1ncco1 62a_100009893172_100011787736 [0,1,0,0,0,1|0,1,0]=3 1414 B11R1.30 CC(CCO)Sc1ncco1 62a_100011787736_100009893172 [0,1,0,0,0,1|0,1,0]=3 1415 B11R1.30 CC(CCO)Sc1nccs1 62a_100000211983_100009893172 [0,1,0,0,0,1|0,0,0]=2 1416 B11R1.30 CC(CCO)Sc1nccs1 62a_100009893172_100000211983 [0,1,0,0,0,1|0,0,0]=2 1417 B11R1.30 CC(CCO)Sc1ncns1 62a_100000693119_100009893172 [0,1,0,0,0,1|1,0,0]=3 1418 B11R1.30 CC(CCO)Sc1ncns1 62a_100009893172_100000693119 [0,1,0,0,0,1|1,0,0]=3 1419 B11R1.30 CC(CCO)Sc1nncs1 62a_100000739804_100009893172 [0,1,0,0,0,1|1,0,0]=3 1420 B11R1.30 CC(CCO)Sc1nncs1 62a_100009893172_100000739804 [0,1,0,0,0,1|1,0,0]=3 1421 B11R1.30 CC(CO[13CH3])Cn1cccn1 34a_100011934653_200025704644 [0,1,0,0,0,1|2,0,0]=4 1422 B11R1.30 CCCC(=O)Cc1nccs1 1458a_100000211992_100015184050 [0,1,0,0,0,1|1,0,1]=4 1423 B11R1.30 CCCC(C)Nc1ncns1 27a_100000741246_100000693119 [0,1,0,0,0,1|1,0,0]=3 1424 B11R1.30 CCCC(C)Nc1nncs1 27a_100000741246_100000739804 [0,1,0,0,0,1|1,0,0]=3 1425 B11R1.30 CCCC(C)Sc1c[nH]cn1 62a_100000756875_100000766640 [0,1,0,0,0,1|2,0,0]=4 1426 B11R1.30 CCCC(C)Sc1c[nH]cn1 62a_100000766640_100000756875 [0,1,0,0,0,1|2,0,0]=4 1427 B11R1.30 CCCC(C)Sc1cc[nH]n1 62a_100000062575_100000766640 [0,1,0,0,0,1|2,0,0]=4 1428 B11R1.30 CCCC(C)Sc1cc[nH]n1 62a_100000766640_100000062575 [0,1,0,0,0,1|2,0,0]=4 1429 B11R1.30 CCCC(C)Sc1ccco1 62a_100000766640_100009814098 [0,1,0,0,0,1|1,1,0]=4 1430 B11R1.30 CCCC(C)Sc1ccco1 62a_100009814098_100000766640 [0,1,0,0,0,1|1,1,0]=4 1431 B11R1.30 CCCC(C)Sc1cccs1 62a_100000766640_100011215356 [0,1,0,0,0,1|1,0,0]=3 1432 B11R1.30 CCCC(C)Sc1cccs1 62a_100011215356_100000766640 [0,1,0,0,0,1|1,0,0]=3 1433 B11R1.30 CCCC(C)Sc1ccon1 62a_100000766640_100009818083 [0,1,0,0,0,1|2,0,0]=4 1434 B11R1.30 CCCC(C)Sc1ccon1 62a_100009818083_100000766640 [0,1,0,0,0,1|2,0,0]=4 1435 B11R1.30 CCCC(C)Sc1ccsn1 62a_100000766640_100009818082 [0,1,0,0,0,1|2,0,0]=4 1436 B11R1.30 CCCC(C)Sc1ccsn1 62a_100009818082_100000766640 [0,1,0,0,0,1|2,0,0]=4 1437 B11R1.30 CCCC(C)Sc1cncs1 62a_100000766640_100011934649 [0,1,0,0,0,1|2,0,0]=4 1438 B11R1.30 CCCC(C)Sc1cncs1 62a_100011934649_100000766640 [0,1,0,0,0,1|2,0,0]=4 1439 B11R1.30 CCCC(C)Sc1cscn1 62a_100000751502_100000766640 [0,1,0,0,0,1|2,0,0]=4 1440 B11R1.30 CCCC(C)Sc1cscn1 62a_100000766640_100000751502 [0,1,0,0,0,1|2,0,0]=4 1441 B11R1.30 CCCC(C)Sc1nc[nH]n1 62a_100000761765_100000766640 [0,1,0,0,0,1|2,0,0]=4 1442 B11R1.30 CCCC(C)Sc1nc[nH]n1 62a_100000766640_100000761765 [0,1,0,0,0,1|2,0,0]=4 1443 B11R1.30 CCCC(C)Sc1ncc[nH]1 62a_100000766640_100025796157 [0,1,0,0,0,1|1,0,0]=3 1444 B11R1.30 CCCC(C)Sc1ncc[nH]1 62a_100025796157_100000766640 [0,1,0,0,0,1|1,0,0]=3 1445 B11R1.30 CCCC(C)Sc1ncco1 62a_100000766640_100011787736 [0,1,0,0,0,1|0,1,0]=3 1446 B11R1.30 CCCC(C)Sc1ncco1 62a_100011787736_100000766640 [0,1,0,0,0,1|0,1,0]=3 1447 B11R1.30 CCCC(C)Sc1nccs1 62a_100000211983_100000766640 [0,1,0,0,0,1|0,0,0]=2 1448 B11R1.30 CCCC(C)Sc1nccs1 62a_100000766640_100000211983 [0,1,0,0,0,1|0,0,0]=2 1449 B11R1.30 CCCC(C)Sc1ncns1 62a_100000693119_100000766640 [0,1,0,0,0,1|1,0,0]=3 1450 B11R1.30 CCCC(C)Sc1ncns1 62a_100000766640_100000693119 [0,1,0,0,0,1|1,0,0]=3 1451 B11R1.30 CCCC(C)Sc1nncs1 62a_100000739804_100000766640 [0,1,0,0,0,1|1,0,0]=3 1452 B11R1.30 CCCC(C)Sc1nncs1 62a_100000766640_100000739804 [0,1,0,0,0,1|1,0,0]=3 1453 B11R1.30 CCCN(C)Cc1cccs1 2230a_100000184426_100000210303 [0,1,0,0,0,1|2,0,0]=4 1454 B11R1.30 CCCN(C)Cc1cccs1 2230a_200000186944_200000210301 [0,1,0,0,0,1|2,0,0]=4 1455 B11R1.30 CCCN(C)Cc1cccs1 269982a_100000184426_100000210303 [0,1,0,0,0,1|2,0,0]=4 1456 B11R1.30 CCCN(C)Cc1cccs1 269982a_200000186944_200000210301 [0,1,0,0,0,1|2,0,0]=4 1457 B11R1.30 CCCN(C)Cc1cccs1 270004a_100000747261_100000209959 [0,1,0,0,0,1|2,0,0]=4 1458 B11R1.30 CCCN(C)Cc1ncc[nH]1 2230a_100000747261_100016991755 [0,1,0,0,0,1|2,0,0]=4 1459 B11R1.30 CCCN(C)Cc1ncc[nH]1 2230a_100015184136_100000210303 [0,1,0,0,0,1|2,0,0]=4 1460 B11R1.30 CCCN(C)Cc1ncc[nH]1 269982a_100000747261_100016991755 [0,1,0,0,0,1|2,0,0]=4 1461 B11R1.30 CCCN(C)Cc1ncc[nH]1 269982a_100015184136_100000210303 [0,1,0,0,0,1|2,0,0]=4 1462 B11R1.30 CCCN(C)Cc1ncco1 2230a_100000747261_103436540062 [0,1,0,0,0,1|1,1,0]=4 1463 B11R1.30 CCCN(C)Cc1ncco1 269982a_100000747261_103436540062 [0,1,0,0,0,1|1,1,0]=4 1464 B11R1.30 CCCN(C)Cc1ncco1 270004a_100000747261_100000064290 [0,1,0,0,0,1|1,1,0]=4 1465 B11R1.30 CCCN(C)Cc1nccs1 2230a_100000747261_100015184050 [0,1,0,0,0,1|1,0,0]=3 1466 B11R1.30 CCCN(C)Cc1nccs1 2230a_100000765864_100000210303 [0,1,0,0,0,1|1,0,0]=3 1467 B11R1.30 CCCN(C)Cc1nccs1 269982a_100000747261_100015184050 [0,1,0,0,0,1|1,0,0]=3 1468 B11R1.30 CCCN(C)Cc1nccs1 269982a_100000765864_100000210303 [0,1,0,0,0,1|1,0,0]=3 1469 B11R1.30 CCCN(C)Cc1nccs1 270004a_100000747261_100000750902 [0,1,0,0,0,1|1,0,0]=3 1470 B11R1.30 CCCN([13CH3])Cc1cccs1 2230a_200000186944_200025704644 [0,1,0,0,0,1|2,0,0]=4 1471 B11R1.30 CCCN([13CH3])Cc1cccs1 269982a_200000186944_200025704644 [0,1,0,0,0,1|2,0,0]=4 1472 B11R1.30 CCNC(C)Cc1ccco1 270004a_100015525214_100011216958 [0,1,0,0,0,1|1,1,0]=4 1473 B11R1.30 CCNC(C)Cc1cccs1 2230a_100000751415_100000210202 [0,1,0,0,0,1|1,0,0]=3 1474 B11R1.30 CCNC(C)Cn1cccn1 2230a_100000738251_100000210202 [0,1,0,0,0,1|2,0,0]=4 1475 B11R1.30 CCOC(C)Cc1ccco1 34a_100011803939_100000210202 [0,1,0,0,0,1|1,1,0]=4 1476 B11R1.30 CCOC(C)Cc1ccco1 7a_100011803939_100000210202 [0,1,0,0,0,1|1,1,0]=4 1477 B11R1.30 CN(CC#N)Cc1nccs1 2230a_100000748184_100015184050 [0,1,0,0,0,1|1,0,1]=4 1478 B11R1.30 CN(CC#N)Cc1nccs1 2230a_100000765864_100011215382 [0,1,0,0,0,1|1,0,1]=4 1479 B11R1.30 CN(CC#N)Cc1nccs1 269982a_100000765864_100011214920 [0,1,0,0,0,1|1,0,1]=4 1480 B11R1.30 CN(CC=O)Cc1nccs1 2230a_100000765864_200015260668 [0,1,0,0,0,1|1,0,1]=4 1481 B11R1.30 CN(CC=O)Cc1nccs1 269982a_100000765864_200015260668 [0,1,0,0,0,1|1,0,1]=4 1482 B11R1.30 CN(CCF)Cc1cccs1 2230a_100000184426_100011217306 [0,1,0,0,0,1|2,0,0]=4 1483 B11R1.30 CN(CCF)Cc1cccs1 269982a_100000184426_100011217306 [0,1,0,0,0,1|2,0,0]=4 1484 B11R1.30 CN(CCF)Cc1ncc[nH]1 2230a_100015184136_100011217306 [0,1,0,0,0,1|2,0,0]=4 1485 B11R1.30 CN(CCF)Cc1ncc[nH]1 269982a_100015184136_100011217306 [0,1,0,0,0,1|2,0,0]=4 1486 B11R1.30 CN(CCF)Cc1nccs1 2230a_100000765864_100011217306 [0,1,0,0,0,1|1,0,0]=3 1487 B11R1.30 CN(CCF)Cc1nccs1 269982a_100000765864_100011217306 [0,1,0,0,0,1|1,0,0]=3 1488 B11R1.30 CN(CCO)Cc1cccs1 2230a_100000184426_100000211926 [0,1,0,0,0,1|2,0,0]=4 1489 B11R1.30 CN(CCO)Cc1cccs1 2230a_200000200436_200000210301 [0,1,0,0,0,1|2,0,0]=4 1490 B11R1.30 CN(CCO)Cc1cccs1 269982a_100000184426_100000211926 [0,1,0,0,0,1|2,0,0]=4 1491 B11R1.30 CN(CCO)Cc1cccs1 269982a_200000200436_200000210301 [0,1,0,0,0,1|2,0,0]=4 1492 B11R1.30 CN(CCO)Cc1cccs1 270004a_100000210263_100000209959 [0,1,0,0,0,1|2,0,0]=4 1493 B11R1.30 CN(CCO)Cc1ncc[nH]1 2230a_100000210263_100016991755 [0,1,0,0,0,1|2,0,0]=4 1494 B11R1.30 CN(CCO)Cc1ncc[nH]1 2230a_100015184136_100000211926 [0,1,0,0,0,1|2,0,0]=4 1495 B11R1.30 CN(CCO)Cc1ncc[nH]1 269982a_100000210263_100016991755 [0,1,0,0,0,1|2,0,0]=4 1496 B11R1.30 CN(CCO)Cc1ncc[nH]1 269982a_100015184136_100000211926 [0,1,0,0,0,1|2,0,0]=4 1497 B11R1.30 CN(CCO)Cc1ncco1 2230a_100000210263_103436540062 [0,1,0,0,0,1|1,1,0]=4 1498 B11R1.30 CN(CCO)Cc1ncco1 269982a_100000210263_103436540062 [0,1,0,0,0,1|1,1,0]=4 1499 B11R1.30 CN(CCO)Cc1ncco1 270004a_100000210263_100000064290 [0,1,0,0,0,1|1,1,0]=4 1500 B11R1.30 CN(CCO)Cc1nccs1 2230a_100000210263_100015184050 [0,1,0,0,0,1|1,0,0]=3 1501 B11R1.30 CN(CCO)Cc1nccs1 2230a_100000765864_100000211926 [0,1,0,0,0,1|1,0,0]=3 1502 B11R1.30 CN(CCO)Cc1nccs1 2230a_200015185061_200000210301 [0,1,0,0,0,1|1,0,0]=3 1503 B11R1.30 CN(CCO)Cc1nccs1 269982a_100000210263_100015184050 [0,1,0,0,0,1|1,0,0]=3 1504 B11R1.30 CN(CCO)Cc1nccs1 269982a_100000765864_100000211926 [0,1,0,0,0,1|1,0,0]=3 1505 B11R1.30 CN(CCO)Cc1nccs1 269982a_200015185061_200000210301 [0,1,0,0,0,1|1,0,0]=3 1506 B11R1.30 CN(CCO)Cc1nccs1 270004a_100000210263_100000750902 [0,1,0,0,0,1|1,0,0]=3 1507 B11R1.30 CNCC(=O)Nc1nccs1 2230a_106832991635_100000183294 [0,1,0,0,0,1|1,0,1]=4 1508 B11R1.30 CNCC(=O)Nc1nccs1 7a_106832991635_100000183294 [0,1,0,0,0,1|1,0,1]=4 1509 B11R1.30 COCC(=O)Cc1nccs1 1458a_100000210968_100015184050 [0,1,0,0,0,1|1,0,1]=4 1510 B11R1.30 COCC(C)Cn1cccn1 34a_100011934653_200000210301 [0,1,0,0,0,1|2,0,0]=4 1511 B11R1.30 COCC(C)Sc1c[nH]cn1 62a_100000756875_100000765312 [0,1,0,0,0,1|2,0,0]=4 1512 B11R1.30 COCC(C)Sc1c[nH]cn1 62a_100000765312_100000756875 [0,1,0,0,0,1|2,0,0]=4 1513 B11R1.30 COCC(C)Sc1cc[nH]n1 62a_100000062575_100000765312 [0,1,0,0,0,1|2,0,0]=4 1514 B11R1.30 COCC(C)Sc1cc[nH]n1 62a_100000765312_100000062575 [0,1,0,0,0,1|2,0,0]=4 1515 B11R1.30 COCC(C)Sc1ccco1 62a_100000765312_100009814098 [0,1,0,0,0,1|1,1,0]=4 1516 B11R1.30 COCC(C)Sc1ccco1 62a_100009814098_100000765312 [0,1,0,0,0,1|1,1,0]=4 1517 B11R1.30 COCC(C)Sc1cccs1 62a_100000765312_100011215356 [0,1,0,0,0,1|1,0,0]=3 1518 B11R1.30 COCC(C)Sc1cccs1 62a_100011215356_100000765312 [0,1,0,0,0,1|1,0,0]=3 1519 B11R1.30 COCC(C)Sc1ccon1 62a_100000765312_100009818083 [0,1,0,0,0,1|2,0,0]=4 1520 B11R1.30 COCC(C)Sc1ccon1 62a_100009818083_100000765312 [0,1,0,0,0,1|2,0,0]=4 1521 B11R1.30 COCC(C)Sc1ccsn1 62a_100000765312_100009818082 [0,1,0,0,0,1|2,0,0]=4 1522 B11R1.30 COCC(C)Sc1ccsn1 62a_100009818082_100000765312 [0,1,0,0,0,1|2,0,0]=4 1523 B11R1.30 COCC(C)Sc1cncs1 62a_100000765312_100011934649 [0,1,0,0,0,1|2,0,0]=4 1524 B11R1.30 COCC(C)Sc1cncs1 62a_100011934649_100000765312 [0,1,0,0,0,1|2,0,0]=4 1525 B11R1.30 COCC(C)Sc1cscn1 62a_100000751502_100000765312 [0,1,0,0,0,1|2,0,0]=4 1526 B11R1.30 COCC(C)Sc1cscn1 62a_100000765312_100000751502 [0,1,0,0,0,1|2,0,0]=4 1527 B11R1.30 COCC(C)Sc1nc[nH]n1 62a_100000761765_100000765312 [0,1,0,0,0,1|2,0,0]=4 1528 B11R1.30 COCC(C)Sc1nc[nH]n1 62a_100000765312_100000761765 [0,1,0,0,0,1|2,0,0]=4 1529 B11R1.30 COCC(C)Sc1ncc[nH]1 62a_100000765312_100025796157 [0,1,0,0,0,1|1,0,0]=3 1530 B11R1.30 COCC(C)Sc1ncc[nH]1 62a_100025796157_100000765312 [0,1,0,0,0,1|1,0,0]=3 1531 B11R1.30 COCC(C)Sc1ncco1 62a_100000765312_100011787736 [0,1,0,0,0,1|0,1,0]=3 1532 B11R1.30 COCC(C)Sc1ncco1 62a_100011787736_100000765312 [0,1,0,0,0,1|0,1,0]=3 1533 B11R1.30 COCC(C)Sc1nccs1 62a_100000211983_100000765312 [0,1,0,0,0,1|0,0,0]=2 1534 B11R1.30 COCC(C)Sc1nccs1 62a_100000765312_100000211983 [0,1,0,0,0,1|0,0,0]=2 1535 B11R1.30 COCC(C)Sc1ncns1 62a_100000693119_100000765312 [0,1,0,0,0,1|1,0,0]=3 1536 B11R1.30 COCC(C)Sc1ncns1 62a_100000765312_100000693119 [0,1,0,0,0,1|1,0,0]=3 1537 B11R1.30 COCC(C)Sc1nncs1 62a_100000739804_100000765312 [0,1,0,0,0,1|1,0,0]=3 1538 B11R1.30 COCC(C)Sc1nncs1 62a_100000765312_100000739804 [0,1,0,0,0,1|1,0,0]=3 1539 B11R1.30 COCN(C)Cc1cccs1 2230a_100000184426_100000766300 [0,1,0,0,0,1|2,0,0]=4 1540 B11R1.30 COCN(C)Cc1cccs1 269982a_100000184426_100000766300 [0,1,0,0,0,1|2,0,0]=4 1541 B11R1.30 COCN(C)Cc1ncc[nH]1 2230a_100015184136_100000766300 [0,1,0,0,0,1|2,0,0]=4 1542 B11R1.30 COCN(C)Cc1ncc[nH]1 269982a_100015184136_100000766300 [0,1,0,0,0,1|2,0,0]=4 1543 B11R1.30 COCN(C)Cc1nccs1 2230a_100000765864_100000766300 [0,1,0,0,0,1|1,0,0]=3 1544 B11R1.30 COCN(C)Cc1nccs1 269982a_100000765864_100000766300 [0,1,0,0,0,1|1,0,0]=3 1545 B11R1.30 COC[C@@H](C)Nc1ncns1 27a_100000764878_100000693119 [0,1,0,0,0,1|1,0,0]=3 1546 B11R1.30 COC[C@@H](C)Nc1nncs1 27a_100000764878_100000739804 [0,1,0,0,0,1|1,0,0]=3 1547 B11R1.30 CSCC(=O)Cc1nccs1 1458a_100000184570_100015184050 [0,1,0,0,0,1|1,0,1]=4 1548 B11R1.30 CSCC(=O)Nc1nccs1 62a_100000183294_200000210301 [0,1,0,0,0,1|1,0,1]=4 1549 B11R1.30 CSCC(=O)Nc1nccs1 62a_200000210301_100000183294 [0,1,0,0,0,1|1,0,1]=4 1550 B11R1.30 CSCN(C)Cc1cccs1 2230a_100000184426_100011218213 [0,1,0,0,0,1|2,0,0]=4 1551 B11R1.30 CSCN(C)Cc1cccs1 269982a_100000184426_100011218213 [0,1,0,0,0,1|2,0,0]=4 1552 B11R1.30 CSCN(C)Cc1ncc[nH]1 2230a_100015184136_100011218213 [0,1,0,0,0,1|2,0,0]=4 1553 B11R1.30 CSCN(C)Cc1ncc[nH]1 269982a_100015184136_100011218213 [0,1,0,0,0,1|2,0,0]=4 1554 B11R1.30 CSCN(C)Cc1nccs1 2230a_100000765864_100011218213 [0,1,0,0,0,1|1,0,0]=3 1555 B11R1.30 CSCN(C)Cc1nccs1 269982a_100000765864_100011218213 [0,1,0,0,0,1|1,0,0]=3 1556 B11R1.30 C[C@@H](CC#N)Nc1ncns1 27a_100016994482_100000693119 [0,1,0,0,0,1|1,0,1]=4 1557 B11R1.30 C[C@@H](CC#N)Nc1nncs1 27a_100016994482_100000739804 [0,1,0,0,0,1|1,0,1]=4 1558 B11R1.30 C[C@H](CCO)Nc1ncns1 27a_100000706166_100000693119 [0,1,0,0,0,1|1,0,0]=3 1559 B11R1.30 C[C@H](CCO)Nc1nncs1 27a_100000706166_100000739804 [0,1,0,0,0,1|1,0,0]=3 1560 B11R1.30 O=C(CCO)Cc1nccs1 1458a_100011216618_100015184050 [0,1,0,0,0,1|1,0,1]=4 1561 B11R1.30 [13CH3]N(CCO)Cc1cccs1 2230a_200000200436_200025704644 [0,1,0,0,0,1|2,0,0]=4 1562 B11R1.30 [13CH3]N(CCO)Cc1cccs1 269982a_200000200436_200025704644 [0,1,0,0,0,1|2,0,0]=4 1563 B11R1.30 [13CH3]N(CCO)Cc1nccs1 2230a_200015185061_200025704644 [0,1,0,0,0,1|1,0,0]=3 1564 B11R1.30 [13CH3]N(CCO)Cc1nccs1 269982a_200015185061_200025704644 [0,1,0,0,0,1|1,0,0]=3 1565 B11R1.30 [13CH3]SCC(=O)Nc1nccs1 62a_100000183294_200025704644 [0,1,0,0,0,1|1,0,1]=4 1566 B11R1.30 [13CH3]SCC(=O)Nc1nccs1 62a_200025704644_100000183294 [0,1,0,0,0,1|1,0,1]=4 1567 B11R1.31 CC(CO)N(C)c1ncns1 27a_100000693034_100000693119 [0,1,0,0,0,1|2,0,0]=4 1568 B11R1.31 CC(CO)N(C)c1nncs1 27a_100000693034_100000739804 [0,1,0,0,0,1|2,0,0]=4 1569 B11R1.31 CC(S[13CH3])C(=O)c1cccs1 62a_100011262360_200025704644 [0,1,0,0,0,1|2,0,0]=4 1570 B11R1.31 CC(S[13CH3])C(=O)c1cccs1 62a_200025704644_100011262360 [0,1,0,0,0,1|2,0,0]=4 1571 B11R1.31 CC(c1nccs1)N(C)CF 269982a_103437849288_100015361967 [0,1,0,0,0,1|2,0,0]=4 1572 B11R1.31 CCC(C)N(C)c1ncns1 27a_100000741768_100000693119 [0,1,0,0,0,1|1,0,0]=3 1573 B11R1.31 CCC(C)N(C)c1nncs1 27a_100000741768_100000739804 [0,1,0,0,0,1|1,0,0]=3 1574 B11R1.31 CCN(C)C(C)c1cccs1 2230a_100000186410_100000210202 [0,1,0,0,0,1|2,0,0]=4 1575 B11R1.31 CCN(C)C(C)c1cccs1 269982a_100000186410_100000204670 [0,1,0,0,0,1|2,0,0]=4 1576 B11R1.31 CCN(C)C(C)c1nccs1 2230a_103437849288_100000210202 [0,1,0,0,0,1|1,0,0]=3 1577 B11R1.31 CCN(C)C(C)c1nccs1 269982a_103437849288_100000204670 [0,1,0,0,0,1|1,0,0]=3 1578 B11R1.31 CNC(C)C(=O)c1cccs1 2230a_106832991635_100011262360 [0,1,0,0,0,1|2,0,0]=4 1579 B11R1.31 CNC(C)C(=O)c1cccs1 7a_106832991635_100011262360 [0,1,0,0,0,1|2,0,0]=4 1580 B11R1.31 CSC(C)C(=O)c1cccs1 62a_100011262360_200000210301 [0,1,0,0,0,1|2,0,0]=4 1581 B11R1.31 CSC(C)C(=O)c1cccs1 62a_200000210301_100011262360 [0,1,0,0,0,1|2,0,0]=4 1582 B11R1.35 CC(=O)C(C)Sc1cccs1 62a_100009814033_100011215356 [0,1,0,0,0,1|1,0,1]=4 1583 B11R1.35 CC(=O)C(C)Sc1cccs1 62a_100011215356_100009814033 [0,1,0,0,0,1|1,0,1]=4 1584 B11R1.35 CC(=O)C(C)Sc1ncc[nH]1 62a_100009814033_100025796157 [0,1,0,0,0,1|1,0,1]=4 1585 B11R1.35 CC(=O)C(C)Sc1ncc[nH]1 62a_100025796157_100009814033 [0,1,0,0,0,1|1,0,1]=4 1586 B11R1.35 CC(=O)C(C)Sc1ncco1 62a_100009814033_100011787736 [0,1,0,0,0,1|0,1,1]=4 1587 B11R1.35 CC(=O)C(C)Sc1ncco1 62a_100011787736_100009814033 [0,1,0,0,0,1|0,1,1]=4 1588 B11R1.35 CC(=O)C(C)Sc1nccs1 62a_100000211983_100009814033 [0,1,0,0,0,1|0,0,1]=3 1589 B11R1.35 CC(=O)C(C)Sc1nccs1 62a_100009814033_100000211983 [0,1,0,0,0,1|0,0,1]=3 1590 B11R1.35 CC(=O)C(C)Sc1ncns1 62a_100000693119_100009814033 [0,1,0,0,0,1|1,0,1]=4 1591 B11R1.35 CC(=O)C(C)Sc1ncns1 62a_100009814033_100000693119 [0,1,0,0,0,1|1,0,1]=4 1592 B11R1.35 CC(=O)C(C)Sc1nncs1 62a_100000739804_100009814033 [0,1,0,0,0,1|1,0,1]=4 1593 B11R1.35 CC(=O)C(C)Sc1nncs1 62a_100009814033_100000739804 [0,1,0,0,0,1|1,0,1]=4 1594 B11R1.35 CC(=O)N(C)Cc1nccs1 11a_100000765864_100015343762 [0,1,0,0,0,1|1,0,1]=4 1595 B11R1.35 CC(=O)N(C)Cc1nccs1 240690a_100000765864_100015343762 [0,1,0,0,0,1|1,0,1]=4 1596 B11R1.35 CC(=O)N(C)Cc1nccs1 527a_100000765864_100103153847 [0,1,0,0,0,1|1,0,1]=4 1597 B11R1.35 CC(C)C(=O)Cc1nccs1 1458a_100000210198_100015184050 [0,1,0,0,0,1|1,0,1]=4 1598 B11R1.35 CC(C)C(C)Nc1ncns1 27a_100000211541_100000693119 [0,1,0,0,0,1|1,0,0]=3 1599 B11R1.35 CC(C)C(C)Nc1nncs1 27a_100000211541_100000739804 [0,1,0,0,0,1|1,0,0]=3 1600 B11R1.35 CC(C)N(C)Cc1cccs1 2230a_100000184426_100000210206 [0,1,0,0,0,1|2,0,0]=4 1601 B11R1.35 CC(C)N(C)Cc1cccs1 2230a_100000200192_200000210301 [0,1,0,0,0,1|2,0,0]=4 1602 B11R1.35 CC(C)N(C)Cc1cccs1 269982a_100000184426_100000210206 [0,1,0,0,0,1|2,0,0]=4 1603 B11R1.35 CC(C)N(C)Cc1cccs1 269982a_100000200192_200000210301 [0,1,0,0,0,1|2,0,0]=4 1604 B11R1.35 CC(C)N(C)Cc1cccs1 270004a_200000211004_100000209959 [0,1,0,0,0,1|2,0,0]=4 1605 B11R1.35 CC(C)N(C)Cc1ncc[nH]1 2230a_100000715157_200000210301 [0,1,0,0,0,1|2,0,0]=4 1606 B11R1.35 CC(C)N(C)Cc1ncc[nH]1 2230a_100015184136_100000210206 [0,1,0,0,0,1|2,0,0]=4 1607 B11R1.35 CC(C)N(C)Cc1ncc[nH]1 269982a_100000715157_200000210301 [0,1,0,0,0,1|2,0,0]=4 1608 B11R1.35 CC(C)N(C)Cc1ncc[nH]1 269982a_100015184136_100000210206 [0,1,0,0,0,1|2,0,0]=4 1609 B11R1.35 CC(C)N(C)Cc1ncc[nH]1 269982a_200000211004_100016991755 [0,1,0,0,0,1|2,0,0]=4 1610 B11R1.35 CC(C)N(C)Cc1ncco1 269982a_200000211004_103436540062 [0,1,0,0,0,1|1,1,0]=4 1611 B11R1.35 CC(C)N(C)Cc1ncco1 270004a_200000211004_100000064290 [0,1,0,0,0,1|1,1,0]=4 1612 B11R1.35 CC(C)N(C)Cc1nccs1 2230a_100000765864_100000210206 [0,1,0,0,0,1|1,0,0]=3 1613 B11R1.35 CC(C)N(C)Cc1nccs1 269982a_100000765864_100000210206 [0,1,0,0,0,1|1,0,0]=3 1614 B11R1.35 CC(C)N(C)Cc1nccs1 269982a_200000211004_100015184050 [0,1,0,0,0,1|1,0,0]=3 1615 B11R1.35 CC(C)N(C)Cc1nccs1 270004a_200000211004_100000750902 [0,1,0,0,0,1|1,0,0]=3 1616 B11R1.35 CC(C)N([13CH3])Cc1cccs1 2230a_100000200192_200025704644 [0,1,0,0,0,1|2,0,0]=4 1617 B11R1.35 CC(C)N([13CH3])Cc1cccs1 269982a_100000200192_200025704644 [0,1,0,0,0,1|2,0,0]=4 1618 B11R1.35 CC(C)N([13CH3])Cc1ncc[nH]1 2230a_100000715157_200025704644 [0,1,0,0,0,1|2,0,0]=4 1619 B11R1.35 CC(C)N([13CH3])Cc1ncc[nH]1 269982a_100000715157_200025704644 [0,1,0,0,0,1|2,0,0]=4 1620 B11R1.35 CC(F)C(=O)Cc1nccs1 1458a_100000062450_100015184050 [0,1,0,0,0,1|1,0,1]=4 1621 B11R1.35 CC(Sc1nccs1)C(=O)N 62a_100000211983_100000702099 [0,1,0,0,0,1|1,0,1]=4 1622 B11R1.35 CC(Sc1nccs1)C(=O)N 62a_100000702099_100000211983 [0,1,0,0,0,1|1,0,1]=4 1623 B11R1.35 C[C@@H](O)C(=O)Cc1nccs1 1458a_100000717761_100015184050 [0,1,0,0,0,1|1,0,1]=4 1624 B11R1.35 C[C@H](O)C(=O)Cc1nccs1 1458a_217856618621_100015184050 [0,1,0,0,0,1|1,0,1]=4 1625 B11R1.39 C#CC(C)Sc1nc(cs1)Br 62a_200000035995_200016082925 [0,1,0,0,0,1|0,0,2]=4 1626 B11R1.39 C#CC(C)Sc1nc(cs1)C 62a_200000035995_100011291629 [0,1,0,0,0,1|0,0,2]=4 1627 B11R1.39 C#CC(C)Sc1nc(cs1)N 62a_200000035995_200015188442 [0,1,0,0,0,1|0,0,2]=4 1628 B11R1.39 C#CC(C)Sc1ncc(s1)C 62a_200000035995_100000690809 [0,1,0,0,0,1|0,0,2]=4 1629 B11R1.39 C=CC(C)Sc1nc(cs1)Br 62a_100011215867_200016082925 [0,1,0,0,0,1|0,0,2]=4 1630 B11R1.39 C=CC(C)Sc1nc(cs1)C 62a_100011215867_100011291629 [0,1,0,0,0,1|0,0,2]=4 1631 B11R1.39 C=CC(C)Sc1nc(cs1)N 62a_100011215867_200015188442 [0,1,0,0,0,1|0,0,2]=4 1632 B11R1.39 C=CC(C)Sc1ncc(s1)C 62a_100011215867_100000690809 [0,1,0,0,0,1|0,0,2]=4 1633 B11R1.39 CC(C#N)Sc1nc(cs1)Br 62a_100000703298_200016082925 [0,1,0,0,0,1|1,0,1]=4 1634 B11R1.39 CC(C#N)Sc1nc(cs1)Br 62a_200016082925_100000703298 [0,1,0,0,0,1|1,0,1]=4 1635 B11R1.39 CC(C#N)Sc1nc(cs1)N 62a_100000703298_200015188442 [0,1,0,0,0,1|1,0,1]=4 1636 B11R1.39 CC(C#N)Sc1nc(cs1)N 62a_200015188442_100000703298 [0,1,0,0,0,1|1,0,1]=4 1637 B11R1.39 CC(CO)Sc1ccc(s1)Br 62a_100012180447_100010197418 [0,1,0,0,0,1|2,0,0]=4 1638 B11R1.39 CC(CO)Sc1nc(cs1)Br 62a_100012180447_200016082925 [0,1,0,0,0,1|1,0,0]=3 1639 B11R1.39 CC(CO)Sc1nc(cs1)N 62a_100012180447_200015188442 [0,1,0,0,0,1|1,0,0]=3 1640 B11R1.39 CC(CO)Sc1nnc(s1)N 62a_100012180447_100000738278 [0,1,0,0,0,1|2,0,0]=4 1641 B11R1.39 CCC(C)Cc1nc(no1)C 270196a_100000212224_100000708755 [0,1,0,0,0,1|1,1,0]=4 1642 B11R1.39 CCC(C)Oc1ccn(n1)C 34a_100012642153_100011215416 [0,1,0,0,0,1|2,0,0]=4 1643 B11R1.39 CCC(C)Sc1c[nH]c(n1)C 62a_100000758301_100009814057 [0,1,0,0,0,1|2,0,0]=4 1644 B11R1.39 CCC(C)Sc1c[nH]c(n1)C 62a_100009814057_100000758301 [0,1,0,0,0,1|2,0,0]=4 1645 B11R1.39 CCC(C)Sc1cc([nH]n1)C 62a_100000758301_100009819999 [0,1,0,0,0,1|2,0,0]=4 1646 B11R1.39 CCC(C)Sc1cc([nH]n1)C 62a_100009819999_100000758301 [0,1,0,0,0,1|2,0,0]=4 1647 B11R1.39 CCC(C)Sc1cc([nH]n1)N 62a_100000758301_100009822546 [0,1,0,0,0,1|2,0,0]=4 1648 B11R1.39 CCC(C)Sc1cc([nH]n1)N 62a_100009822546_100000758301 [0,1,0,0,0,1|2,0,0]=4 1649 B11R1.39 CCC(C)Sc1cc(cs1)C 62a_100000758301_100009876951 [0,1,0,0,0,1|1,0,0]=3 1650 B11R1.39 CCC(C)Sc1cc(cs1)C 62a_100009876951_100000758301 [0,1,0,0,0,1|1,0,0]=3 1651 B11R1.39 CCC(C)Sc1cc(ns1)C 62a_100000758301_100009815735 [0,1,0,0,0,1|2,0,0]=4 1652 B11R1.39 CCC(C)Sc1cc(ns1)C 62a_100009815735_100000758301 [0,1,0,0,0,1|2,0,0]=4 1653 B11R1.39 CCC(C)Sc1cc(on1)C 62a_100000716708_100000758301 [0,1,0,0,0,1|2,0,0]=4 1654 B11R1.39 CCC(C)Sc1cc(on1)C 62a_100000758301_100000716708 [0,1,0,0,0,1|2,0,0]=4 1655 B11R1.39 CCC(C)Sc1ccc(s1)Br 62a_100000758301_100010197418 [0,1,0,0,0,1|1,0,0]=3 1656 B11R1.39 CCC(C)Sc1ccc(s1)Br 62a_100010197418_100000758301 [0,1,0,0,0,1|1,0,0]=3 1657 B11R1.39 CCC(C)Sc1ccc(s1)C 62a_100000031368_100000758301 [0,1,0,0,0,1|1,0,0]=3 1658 B11R1.39 CCC(C)Sc1ccc(s1)C 62a_100000758301_100000031368 [0,1,0,0,0,1|1,0,0]=3 1659 B11R1.39 CCC(C)Sc1ccn(n1)C 62a_100000752436_100000758301 [0,1,0,0,0,1|2,0,0]=4 1660 B11R1.39 CCC(C)Sc1ccn(n1)C 62a_100000758301_100000752436 [0,1,0,0,0,1|2,0,0]=4 1661 B11R1.39 CCC(C)Sc1cn(cn1)C 62a_100000040308_100000758301 [0,1,0,0,0,1|2,0,0]=4 1662 B11R1.39 CCC(C)Sc1cn(cn1)C 62a_100000758301_100000040308 [0,1,0,0,0,1|2,0,0]=4 1663 B11R1.39 CCC(C)Sc1cnc(s1)Br 62a_100000758301_100012357534 [0,1,0,0,0,1|2,0,0]=4 1664 B11R1.39 CCC(C)Sc1cnc(s1)Br 62a_100012357534_100000758301 [0,1,0,0,0,1|2,0,0]=4 1665 B11R1.39 CCC(C)Sc1cnc(s1)C 62a_100000758301_100000764884 [0,1,0,0,0,1|2,0,0]=4 1666 B11R1.39 CCC(C)Sc1cnc(s1)C 62a_100000764884_100000758301 [0,1,0,0,0,1|2,0,0]=4 1667 B11R1.39 CCC(C)Sc1cnc(s1)N 62a_100000718969_100000758301 [0,1,0,0,0,1|2,0,0]=4 1668 B11R1.39 CCC(C)Sc1cnc(s1)N 62a_100000758301_100000718969 [0,1,0,0,0,1|2,0,0]=4 1669 B11R1.39 CCC(C)Sc1csc(n1)C 62a_100000758301_100011934587 [0,1,0,0,0,1|2,0,0]=4 1670 B11R1.39 CCC(C)Sc1csc(n1)C 62a_100011934587_100000758301 [0,1,0,0,0,1|2,0,0]=4 1671 B11R1.39 CCC(C)Sc1csc(n1)N 62a_100000758301_100011998049 [0,1,0,0,0,1|2,0,0]=4 1672 B11R1.39 CCC(C)Sc1csc(n1)N 62a_100011998049_100000758301 [0,1,0,0,0,1|2,0,0]=4 1673 B11R1.39 CCC(C)Sc1n[nH]c(n1)C 62a_100000732540_100000758301 [0,1,0,0,0,1|2,0,0]=4 1674 B11R1.39 CCC(C)Sc1n[nH]c(n1)C 62a_100000758301_100000732540 [0,1,0,0,0,1|2,0,0]=4 1675 B11R1.39 CCC(C)Sc1n[nH]c(n1)N 62a_100000758301_100015184587 [0,1,0,0,0,1|2,0,0]=4 1676 B11R1.39 CCC(C)Sc1n[nH]c(n1)N 62a_100015184587_100000758301 [0,1,0,0,0,1|2,0,0]=4 1677 B11R1.39 CCC(C)Sc1nc(c[nH]1)C 62a_100000758301_100161115468 [0,1,0,0,0,1|1,0,0]=3 1678 B11R1.39 CCC(C)Sc1nc(c[nH]1)C 62a_100161115468_100000758301 [0,1,0,0,0,1|1,0,0]=3 1679 B11R1.39 CCC(C)Sc1nc(cs1)Br 62a_100000758301_200016082925 [0,1,0,0,0,1|0,0,0]=2 1680 B11R1.39 CCC(C)Sc1nc(cs1)Br 62a_200016082925_100000758301 [0,1,0,0,0,1|0,0,0]=2 1681 B11R1.39 CCC(C)Sc1nc(cs1)C 62a_100000758301_100011291629 [0,1,0,0,0,1|0,0,0]=2 1682 B11R1.39 CCC(C)Sc1nc(cs1)C 62a_100011291629_100000758301 [0,1,0,0,0,1|0,0,0]=2 1683 B11R1.39 CCC(C)Sc1nc(cs1)N 62a_100000758301_200015188442 [0,1,0,0,0,1|0,0,0]=2 1684 B11R1.39 CCC(C)Sc1nc(cs1)N 62a_200015188442_100000758301 [0,1,0,0,0,1|0,0,0]=2 1685 B11R1.39 CCC(C)Sc1nc(ns1)C 62a_100000709739_100000758301 [0,1,0,0,0,1|1,0,0]=3 1686 B11R1.39 CCC(C)Sc1nc(ns1)C 62a_100000758301_100000709739 [0,1,0,0,0,1|1,0,0]=3 1687 B11R1.39 CCC(C)Sc1ncc(s1)C 62a_100000690809_100000758301 [0,1,0,0,0,1|0,0,0]=2 1688 B11R1.39 CCC(C)Sc1ncc(s1)C 62a_100000758301_100000690809 [0,1,0,0,0,1|0,0,0]=2 1689 B11R1.39 CCC(C)Sc1ncn(n1)C 62a_100000758301_100009819955 [0,1,0,0,0,1|2,0,0]=4 1690 B11R1.39 CCC(C)Sc1ncn(n1)C 62a_100009819955_100000758301 [0,1,0,0,0,1|2,0,0]=4 1691 B11R1.39 CCC(C)Sc1nnc(o1)C 62a_100000758301_100000708914 [0,1,0,0,0,1|1,1,0]=4 1692 B11R1.39 CCC(C)Sc1nnc(s1)C 62a_100000686958_100000758301 [0,1,0,0,0,1|1,0,0]=3 1693 B11R1.39 CCC(C)Sc1nnc(s1)C 62a_100000758301_100000686958 [0,1,0,0,0,1|1,0,0]=3 1694 B11R1.39 CCC(C)Sc1nnc(s1)N 62a_100000738278_100000758301 [0,1,0,0,0,1|1,0,0]=3 1695 B11R1.39 CCC(C)Sc1nnc(s1)N 62a_100000758301_100000738278 [0,1,0,0,0,1|1,0,0]=3 1696 B11R1.39 CCC(C)Sc1noc(n1)C 270196a_200000116978_100000070787 [0,1,0,0,0,1|2,0,0]=4 1697 B11R1.39 CCC(C)Sc1noc(n1)C 62a_100000758301_100012003639 [0,1,0,0,0,1|2,0,0]=4 1698 B11R1.39 CCC(C)Sc1noc(n1)C 62a_100012003639_100000758301 [0,1,0,0,0,1|2,0,0]=4 1699 B11R1.39 CCC(C)Sc1noc(n1)O 270196a_200000116978_100015183105 [0,1,0,0,0,1|2,0,0]=4 1700 B11R1.39 CCN(C)Cc1cc(cs1)Br 2230a_100000207611_100000210202 [0,1,0,0,0,1|2,0,0]=4 1701 B11R1.39 CCN(C)Cc1cc(cs1)Br 2230a_100000225621_100000746031 [0,1,0,0,0,1|2,0,0]=4 1702 B11R1.39 CCN(C)Cc1cc(cs1)Br 269982a_100000207611_100000204670 [0,1,0,0,0,1|2,0,0]=4 1703 B11R1.39 CCN(C)Cc1cc(cs1)Br 269982a_100000225621_100000746031 [0,1,0,0,0,1|2,0,0]=4 1704 B11R1.39 CCN(C)Cc1cc(cs1)C 2230a_100011502060_100000210202 [0,1,0,0,0,1|2,0,0]=4 1705 B11R1.39 CCN(C)Cc1cc(cs1)C 269982a_100011502060_100000204670 [0,1,0,0,0,1|2,0,0]=4 1706 B11R1.39 CCN(C)Cc1ccc(s1)Br 2230a_100000225621_100000708592 [0,1,0,0,0,1|2,0,0]=4 1707 B11R1.39 CCN(C)Cc1ccc(s1)Br 269982a_100000225621_100000708592 [0,1,0,0,0,1|2,0,0]=4 1708 B11R1.39 CCN(C)Cc1ccc(s1)C 2230a_100000751125_100000210202 [0,1,0,0,0,1|2,0,0]=4 1709 B11R1.39 CCN(C)Cc1ccc(s1)C 269982a_100000751125_100000204670 [0,1,0,0,0,1|2,0,0]=4 1710 B11R1.39 CCN(C)Cc1ccc(s1)Cl 2230a_100000225621_100000185097 [0,1,0,0,0,1|2,0,0]=4 1711 B11R1.39 CCN(C)Cc1ccc(s1)Cl 269982a_100000225621_100000185097 [0,1,0,0,0,1|2,0,0]=4 1712 B11R1.39 CCN(C)Cc1nc(c[nH]1)C 2230a_100015186541_100000210202 [0,1,0,0,0,1|2,0,0]=4 1713 B11R1.39 CCN(C)Cc1nc(cs1)C 2230a_100000757614_100000210202 [0,1,0,0,0,1|1,0,0]=3 1714 B11R1.39 CCN(C)Cc1nc(cs1)C 269982a_100000757614_100000204670 [0,1,0,0,0,1|1,0,0]=3 1715 B11R1.39 CCN(C)Cc1nnc(s1)C 2230a_100000225621_100000688753 [0,1,0,0,0,1|2,0,0]=4 1716 B11R1.39 CCN(C)Cc1nnc(s1)C 269982a_100000225621_100000688753 [0,1,0,0,0,1|2,0,0]=4 1717 B11R1.39 COC(C)Sc1cc(cs1)C 62a_100009876951_100009879195 [0,1,0,0,0,1|2,0,0]=4 1718 B11R1.39 COC(C)Sc1cc(cs1)C 62a_100009879195_100009876951 [0,1,0,0,0,1|2,0,0]=4 1719 B11R1.39 COC(C)Sc1ccc(s1)Br 62a_100009879195_100010197418 [0,1,0,0,0,1|2,0,0]=4 1720 B11R1.39 COC(C)Sc1ccc(s1)Br 62a_100010197418_100009879195 [0,1,0,0,0,1|2,0,0]=4 1721 B11R1.39 COC(C)Sc1ccc(s1)C 62a_100000031368_100009879195 [0,1,0,0,0,1|2,0,0]=4 1722 B11R1.39 COC(C)Sc1ccc(s1)C 62a_100009879195_100000031368 [0,1,0,0,0,1|2,0,0]=4 1723 B11R1.39 COC(C)Sc1nc(c[nH]1)C 62a_100009879195_100161115468 [0,1,0,0,0,1|2,0,0]=4 1724 B11R1.39 COC(C)Sc1nc(c[nH]1)C 62a_100161115468_100009879195 [0,1,0,0,0,1|2,0,0]=4 1725 B11R1.39 COC(C)Sc1nc(cs1)Br 62a_100009879195_200016082925 [0,1,0,0,0,1|1,0,0]=3 1726 B11R1.39 COC(C)Sc1nc(cs1)Br 62a_200016082925_100009879195 [0,1,0,0,0,1|1,0,0]=3 1727 B11R1.39 COC(C)Sc1nc(cs1)C 62a_100009879195_100011291629 [0,1,0,0,0,1|1,0,0]=3 1728 B11R1.39 COC(C)Sc1nc(cs1)C 62a_100011291629_100009879195 [0,1,0,0,0,1|1,0,0]=3 1729 B11R1.39 COC(C)Sc1nc(cs1)N 62a_100009879195_200015188442 [0,1,0,0,0,1|1,0,0]=3 1730 B11R1.39 COC(C)Sc1nc(cs1)N 62a_200015188442_100009879195 [0,1,0,0,0,1|1,0,0]=3 1731 B11R1.39 COC(C)Sc1nc(ns1)C 62a_100000709739_100009879195 [0,1,0,0,0,1|2,0,0]=4 1732 B11R1.39 COC(C)Sc1nc(ns1)C 62a_100009879195_100000709739 [0,1,0,0,0,1|2,0,0]=4 1733 B11R1.39 COC(C)Sc1ncc(s1)C 62a_100000690809_100009879195 [0,1,0,0,0,1|1,0,0]=3 1734 B11R1.39 COC(C)Sc1ncc(s1)C 62a_100009879195_100000690809 [0,1,0,0,0,1|1,0,0]=3 1735 B11R1.39 COC(C)Sc1nnc(s1)C 62a_100000686958_100009879195 [0,1,0,0,0,1|2,0,0]=4 1736 B11R1.39 COC(C)Sc1nnc(s1)C 62a_100009879195_100000686958 [0,1,0,0,0,1|2,0,0]=4 1737 B11R1.39 COC(C)Sc1nnc(s1)N 62a_100000738278_100009879195 [0,1,0,0,0,1|2,0,0]=4 1738 B11R1.39 COC(C)Sc1nnc(s1)N 62a_100009879195_100000738278 [0,1,0,0,0,1|2,0,0]=4 1739 B11R1.39 C[C@H](CF)Nc1nnc(s1)N 27a_100102880703_100000738278 [0,1,0,0,0,1|2,0,0]=4 1740 B11R1.39 C[C@H](CO)Nc1nnc(s1)N 27a_100000737577_100000738278 [0,1,0,0,0,1|2,0,0]=4 1741 B11R1.39 C[C@H](CO)Sc1ccc(s1)Br 62a_100010197418_100016084084 [0,1,0,0,0,1|2,0,0]=4 1742 B11R1.39 C[C@H](CO)Sc1ccc(s1)Br 62a_100016084084_100010197418 [0,1,0,0,0,1|2,0,0]=4 1743 B11R1.39 C[C@H](CO)Sc1nc(cs1)Br 62a_100016084084_200016082925 [0,1,0,0,0,1|1,0,0]=3 1744 B11R1.39 C[C@H](CO)Sc1nc(cs1)Br 62a_200016082925_100016084084 [0,1,0,0,0,1|1,0,0]=3 1745 B11R1.39 C[C@H](CO)Sc1nc(cs1)N 62a_100016084084_200015188442 [0,1,0,0,0,1|1,0,0]=3 1746 B11R1.39 C[C@H](CO)Sc1nc(cs1)N 62a_200015188442_100016084084 [0,1,0,0,0,1|1,0,0]=3 1747 B11R1.39 C[C@H](CO)Sc1nnc(s1)N 62a_100000738278_100016084084 [0,1,0,0,0,1|2,0,0]=4 1748 B11R1.39 C[C@H](CO)Sc1nnc(s1)N 62a_100016084084_100000738278 [0,1,0,0,0,1|2,0,0]=4 1749 B11R1.39 Cc1c[nH]c(n1)SC(C)CO 62a_100012180447_100161115468 [0,1,0,0,0,1|2,0,0]=4 1750 B11R1.39 Cc1c[nH]c(n1)S[C@H](C)CO 62a_100016084084_100161115468 [0,1,0,0,0,1|2,0,0]=4 1751 B11R1.39 Cc1c[nH]c(n1)S[C@H](C)CO 62a_100161115468_100016084084 [0,1,0,0,0,1|2,0,0]=4 1752 B11R1.39 Cc1ccc(s1)SC(C)CO 62a_100012180447_100000031368 [0,1,0,0,0,1|2,0,0]=4 1753 B11R1.39 Cc1ccc(s1)S[C@H](C)CO 62a_100000031368_100016084084 [0,1,0,0,0,1|2,0,0]=4 1754 B11R1.39 Cc1ccc(s1)S[C@H](C)CO 62a_100016084084_100000031368 [0,1,0,0,0,1|2,0,0]=4 1755 B11R1.39 Cc1cnc(s1)SC(C)C#N 62a_100000690809_100000703298 [0,1,0,0,0,1|1,0,1]=4 1756 B11R1.39 Cc1cnc(s1)SC(C)C#N 62a_100000703298_100000690809 [0,1,0,0,0,1|1,0,1]=4 1757 B11R1.39 Cc1cnc(s1)SC(C)CO 62a_100012180447_100000690809 [0,1,0,0,0,1|1,0,0]=3 1758 B11R1.39 Cc1cnc(s1)S[C@H](C)CO 62a_100000690809_100016084084 [0,1,0,0,0,1|1,0,0]=3 1759 B11R1.39 Cc1cnc(s1)S[C@H](C)CO 62a_100016084084_100000690809 [0,1,0,0,0,1|1,0,0]=3 1760 B11R1.39 Cc1csc(c1)SC(C)CO 62a_100012180447_100009876951 [0,1,0,0,0,1|2,0,0]=4 1761 B11R1.39 Cc1csc(c1)S[C@H](C)CO 62a_100009876951_100016084084 [0,1,0,0,0,1|2,0,0]=4 1762 B11R1.39 Cc1csc(c1)S[C@H](C)CO 62a_100016084084_100009876951 [0,1,0,0,0,1|2,0,0]=4 1763 B11R1.39 Cc1csc(n1)CN(C)CF 269982a_100000757614_100015361967 [0,1,0,0,0,1|2,0,0]=4 1764 B11R1.39 Cc1csc(n1)SC(C)C#N 62a_100000703298_100011291629 [0,1,0,0,0,1|1,0,1]=4 1765 B11R1.39 Cc1csc(n1)SC(C)C#N 62a_100011291629_100000703298 [0,1,0,0,0,1|1,0,1]=4 1766 B11R1.39 Cc1csc(n1)SC(C)CO 62a_100012180447_100011291629 [0,1,0,0,0,1|1,0,0]=3 1767 B11R1.39 Cc1csc(n1)S[C@H](C)CO 62a_100011291629_100016084084 [0,1,0,0,0,1|1,0,0]=3 1768 B11R1.39 Cc1csc(n1)S[C@H](C)CO 62a_100016084084_100011291629 [0,1,0,0,0,1|1,0,0]=3 1769 B11R1.39 Cc1nnc(s1)N[C@H](C)CF 27a_100102880703_100000686958 [0,1,0,0,0,1|2,0,0]=4 1770 B11R1.39 Cc1nnc(s1)N[C@H](C)CO 27a_100000737577_100000686958 [0,1,0,0,0,1|2,0,0]=4 1771 B11R1.39 Cc1nnc(s1)SC(C)CO 62a_100012180447_100000686958 [0,1,0,0,0,1|2,0,0]=4 1772 B11R1.39 Cc1nnc(s1)S[C@H](C)CO 62a_100000686958_100016084084 [0,1,0,0,0,1|2,0,0]=4 1773 B11R1.39 Cc1nnc(s1)S[C@H](C)CO 62a_100016084084_100000686958 [0,1,0,0,0,1|2,0,0]=4 1774 B11R1.39 Cc1nsc(n1)N[C@H](C)CF 27a_100102880703_100000709739 [0,1,0,0,0,1|2,0,0]=4 1775 B11R1.39 Cc1nsc(n1)N[C@H](C)CO 27a_100000737577_100000709739 [0,1,0,0,0,1|2,0,0]=4 1776 B11R1.39 Cc1nsc(n1)SC(C)CO 62a_100012180447_100000709739 [0,1,0,0,0,1|2,0,0]=4 1777 B11R1.39 Cc1nsc(n1)S[C@H](C)CO 62a_100000709739_100016084084 [0,1,0,0,0,1|2,0,0]=4 1778 B11R1.39 Cc1nsc(n1)S[C@H](C)CO 62a_100016084084_100000709739 [0,1,0,0,0,1|2,0,0]=4 1779 B11R1.84 CCC(=Cc1nccs1)C#N 6a_100000750902_100011193412 [0,1,0,0,0,1|0,0,2]=4 1780 B11R1.84 CCC(CC)Nc1ncns1 27a_100000199018_100000693119 [0,1,0,0,0,1|1,0,0]=3 1781 B11R1.84 CCC(CC)Nc1nncs1 27a_100000199018_100000739804 [0,1,0,0,0,1|1,0,0]=3 1782 B11R1.84 CCC(CC)Sc1c[nH]cn1 62a_100000210505_100000756875 [0,1,0,0,0,1|2,0,0]=4 1783 B11R1.84 CCC(CC)Sc1c[nH]cn1 62a_100000756875_100000210505 [0,1,0,0,0,1|2,0,0]=4 1784 B11R1.84 CCC(CC)Sc1cc[nH]n1 62a_100000062575_100000210505 [0,1,0,0,0,1|2,0,0]=4 1785 B11R1.84 CCC(CC)Sc1cc[nH]n1 62a_100000210505_100000062575 [0,1,0,0,0,1|2,0,0]=4 1786 B11R1.84 CCC(CC)Sc1ccco1 62a_100000210505_100009814098 [0,1,0,0,0,1|1,1,0]=4 1787 B11R1.84 CCC(CC)Sc1ccco1 62a_100009814098_100000210505 [0,1,0,0,0,1|1,1,0]=4 1788 B11R1.84 CCC(CC)Sc1cccs1 62a_100000210505_100011215356 [0,1,0,0,0,1|1,0,0]=3 1789 B11R1.84 CCC(CC)Sc1cccs1 62a_100011215356_100000210505 [0,1,0,0,0,1|1,0,0]=3 1790 B11R1.84 CCC(CC)Sc1ccon1 62a_100000210505_100009818083 [0,1,0,0,0,1|2,0,0]=4 1791 B11R1.84 CCC(CC)Sc1ccon1 62a_100009818083_100000210505 [0,1,0,0,0,1|2,0,0]=4 1792 B11R1.84 CCC(CC)Sc1ccsn1 62a_100000210505_100009818082 [0,1,0,0,0,1|2,0,0]=4 1793 B11R1.84 CCC(CC)Sc1ccsn1 62a_100009818082_100000210505 [0,1,0,0,0,1|2,0,0]=4 1794 B11R1.84 CCC(CC)Sc1cncs1 62a_100000210505_100011934649 [0,1,0,0,0,1|2,0,0]=4 1795 B11R1.84 CCC(CC)Sc1cncs1 62a_100011934649_100000210505 [0,1,0,0,0,1|2,0,0]=4 1796 B11R1.84 CCC(CC)Sc1cscn1 62a_100000210505_100000751502 [0,1,0,0,0,1|2,0,0]=4 1797 B11R1.84 CCC(CC)Sc1cscn1 62a_100000751502_100000210505 [0,1,0,0,0,1|2,0,0]=4 1798 B11R1.84 CCC(CC)Sc1nc[nH]n1 62a_100000210505_100000761765 [0,1,0,0,0,1|2,0,0]=4 1799 B11R1.84 CCC(CC)Sc1nc[nH]n1 62a_100000761765_100000210505 [0,1,0,0,0,1|2,0,0]=4 1800 B11R1.84 CCC(CC)Sc1ncc[nH]1 62a_100000210505_100025796157 [0,1,0,0,0,1|1,0,0]=3 1801 B11R1.84 CCC(CC)Sc1ncc[nH]1 62a_100025796157_100000210505 [0,1,0,0,0,1|1,0,0]=3 1802 B11R1.84 CCC(CC)Sc1ncco1 62a_100000210505_100011787736 [0,1,0,0,0,1|0,1,0]=3 1803 B11R1.84 CCC(CC)Sc1ncco1 62a_100011787736_100000210505 [0,1,0,0,0,1|0,1,0]=3 1804 B11R1.84 CCC(CC)Sc1nccs1 62a_100000210505_100000211983 [0,1,0,0,0,1|0,0,0]=2 1805 B11R1.84 CCC(CC)Sc1nccs1 62a_100000211983_100000210505 [0,1,0,0,0,1|0,0,0]=2 1806 B11R1.84 CCC(CC)Sc1ncns1 62a_100000210505_100000693119 [0,1,0,0,0,1|1,0,0]=3 1807 B11R1.84 CCC(CC)Sc1ncns1 62a_100000693119_100000210505 [0,1,0,0,0,1|1,0,0]=3 1808 B11R1.84 CCC(CC)Sc1nncs1 62a_100000210505_100000739804 [0,1,0,0,0,1|1,0,0]=3 1809 B11R1.84 CCC(CC)Sc1nncs1 62a_100000739804_100000210505 [0,1,0,0,0,1|1,0,0]=3 1810 B11R1.84 CCC(Cc1ccco1)NC 270004a_106832991635_200011996595 [0,1,0,0,0,1|1,1,0]=4 1811 B11R1.84 CCN(CC)Cc1cccs1 2230a_100025770963_100000210202 [0,1,0,0,0,1|2,0,0]=4 1812 B11R1.84 CCN(CC)Cc1cccs1 269982a_100025770963_100000204670 [0,1,0,0,0,1|2,0,0]=4 1813 B11R1.84 CCN(CC)Cc1cccs1 270004a_100000724800_100000209959 [0,1,0,0,0,1|2,0,0]=4 1814 B11R1.84 CCN(CC)Cc1ncc[nH]1 2230a_100000724800_100016991755 [0,1,0,0,0,1|2,0,0]=4 1815 B11R1.84 CCN(CC)Cc1ncc[nH]1 269956a_100000042499_100000753453 [0,1,0,0,0,1|2,0,0]=4 1816 B11R1.84 CCN(CC)Cc1ncc[nH]1 269982a_100000724800_100016991755 [0,1,0,0,0,1|2,0,0]=4 1817 B11R1.84 CCN(CC)Cc1ncco1 2230a_100000724800_103436540062 [0,1,0,0,0,1|1,1,0]=4 1818 B11R1.84 CCN(CC)Cc1ncco1 269956a_100000042499_103436540062 [0,1,0,0,0,1|1,1,0]=4 1819 B11R1.84 CCN(CC)Cc1ncco1 269982a_100000724800_103436540062 [0,1,0,0,0,1|1,1,0]=4 1820 B11R1.84 CCN(CC)Cc1ncco1 270004a_100000724800_100000064290 [0,1,0,0,0,1|1,1,0]=4 1821 B11R1.84 CCN(CC)Cc1nccs1 2230a_100000724800_100015184050 [0,1,0,0,0,1|1,0,0]=3 1822 B11R1.84 CCN(CC)Cc1nccs1 269956a_100000042499_100015184050 [0,1,0,0,0,1|1,0,0]=3 1823 B11R1.84 CCN(CC)Cc1nccs1 269982a_100000724800_100015184050 [0,1,0,0,0,1|1,0,0]=3 1824 B11R1.84 CCN(CC)Cc1nccs1 270004a_100000724800_100000750902 [0,1,0,0,0,1|1,0,0]=3 1825 B11R1.84 CCN(CF)Cc1cccs1 269982a_100025770963_100015361967 [0,1,0,0,0,1|2,0,0]=4 1826 B11R1.84 CC[C@@H](CO)Nc1ncns1 27a_100000709445_100000693119 [0,1,0,0,0,1|1,0,0]=3 1827 B11R1.84 CC[C@@H](CO)Nc1nncs1 27a_100000709445_100000739804 [0,1,0,0,0,1|1,0,0]=3 1828 B11R1.84 OCC(CO)Nc1ncns1 27a_100000759517_100000693119 [0,1,0,0,0,1|2,0,0]=4 1829 B11R1.84 OCC(CO)Nc1nncs1 27a_100000759517_100000739804 [0,1,0,0,0,1|2,0,0]=4 1830 B11R1.136 C#CC(C)(C)Sc1nccs1 62a_100000038118_100000211983 [0,1,0,0,0,1|0,0,2]=4 1831 B11R1.136 C#CC(C)(C)Sc1nccs1 62a_100000211983_100000038118 [0,1,0,0,0,1|0,0,2]=4 1832 B11R1.136 CC(C)(C#N)Sc1nccs1 62a_100000211983_100011162410 [0,1,0,0,0,1|1,0,1]=4 1833 B11R1.136 CC(C)(C#N)Sc1nccs1 62a_100011162410_100000211983 [0,1,0,0,0,1|1,0,1]=4 1834 B11R1.136 CC(C)(CO)Nc1ncns1 27a_100000210608_100000693119 [0,1,0,0,0,1|2,0,0]=4 1835 B11R1.136 CC(C)(CO)Nc1nncs1 27a_100000210608_100000739804 [0,1,0,0,0,1|2,0,0]=4 1836 B11R1.136 CCC(C)(C)Nc1ncns1 27a_100000211385_100000693119 [0,1,0,0,0,1|1,0,0]=3 1837 B11R1.136 CCC(C)(C)Nc1nncs1 27a_100000211385_100000739804 [0,1,0,0,0,1|1,0,0]=3 1838 B11R1.136 CCC(C)(C)Sc1c[nH]cn1 62a_100000032637_100000756875 [0,1,0,0,0,1|2,0,0]=4 1839 B11R1.136 CCC(C)(C)Sc1c[nH]cn1 62a_100000756875_100000032637 [0,1,0,0,0,1|2,0,0]=4 1840 B11R1.136 CCC(C)(C)Sc1cc[nH]n1 62a_100000032637_100000062575 [0,1,0,0,0,1|2,0,0]=4 1841 B11R1.136 CCC(C)(C)Sc1cc[nH]n1 62a_100000062575_100000032637 [0,1,0,0,0,1|2,0,0]=4 1842 B11R1.136 CCC(C)(C)Sc1ccco1 62a_100000032637_100009814098 [0,1,0,0,0,1|1,1,0]=4 1843 B11R1.136 CCC(C)(C)Sc1ccco1 62a_100009814098_100000032637 [0,1,0,0,0,1|1,1,0]=4 1844 B11R1.136 CCC(C)(C)Sc1cccs1 62a_100000032637_100011215356 [0,1,0,0,0,1|1,0,0]=3 1845 B11R1.136 CCC(C)(C)Sc1cccs1 62a_100011215356_100000032637 [0,1,0,0,0,1|1,0,0]=3 1846 B11R1.136 CCC(C)(C)Sc1ccon1 62a_100000032637_100009818083 [0,1,0,0,0,1|2,0,0]=4 1847 B11R1.136 CCC(C)(C)Sc1ccon1 62a_100009818083_100000032637 [0,1,0,0,0,1|2,0,0]=4 1848 B11R1.136 CCC(C)(C)Sc1ccsn1 62a_100000032637_100009818082 [0,1,0,0,0,1|2,0,0]=4 1849 B11R1.136 CCC(C)(C)Sc1ccsn1 62a_100009818082_100000032637 [0,1,0,0,0,1|2,0,0]=4 1850 B11R1.136 CCC(C)(C)Sc1cncs1 62a_100000032637_100011934649 [0,1,0,0,0,1|2,0,0]=4 1851 B11R1.136 CCC(C)(C)Sc1cncs1 62a_100011934649_100000032637 [0,1,0,0,0,1|2,0,0]=4 1852 B11R1.136 CCC(C)(C)Sc1cscn1 62a_100000032637_100000751502 [0,1,0,0,0,1|2,0,0]=4 1853 B11R1.136 CCC(C)(C)Sc1cscn1 62a_100000751502_100000032637 [0,1,0,0,0,1|2,0,0]=4 1854 B11R1.136 CCC(C)(C)Sc1nc[nH]n1 62a_100000032637_100000761765 [0,1,0,0,0,1|2,0,0]=4 1855 B11R1.136 CCC(C)(C)Sc1nc[nH]n1 62a_100000761765_100000032637 [0,1,0,0,0,1|2,0,0]=4 1856 B11R1.136 CCC(C)(C)Sc1ncc[nH]1 62a_100000032637_100025796157 [0,1,0,0,0,1|1,0,0]=3 1857 B11R1.136 CCC(C)(C)Sc1ncc[nH]1 62a_100025796157_100000032637 [0,1,0,0,0,1|1,0,0]=3 1858 B11R1.136 CCC(C)(C)Sc1ncco1 62a_100000032637_100011787736 [0,1,0,0,0,1|0,1,0]=3 1859 B11R1.136 CCC(C)(C)Sc1ncco1 62a_100011787736_100000032637 [0,1,0,0,0,1|0,1,0]=3 1860 B11R1.136 CCC(C)(C)Sc1nccs1 62a_100000032637_100000211983 [0,1,0,0,0,1|0,0,0]=2 1861 B11R1.136 CCC(C)(C)Sc1nccs1 62a_100000211983_100000032637 [0,1,0,0,0,1|0,0,0]=2 1862 B11R1.136 CCC(C)(C)Sc1ncns1 62a_100000032637_100000693119 [0,1,0,0,0,1|1,0,0]=3 1863 B11R1.136 CCC(C)(C)Sc1ncns1 62a_100000693119_100000032637 [0,1,0,0,0,1|1,0,0]=3 1864 B11R1.136 CCC(C)(C)Sc1nncs1 62a_100000032637_100000739804 [0,1,0,0,0,1|1,0,0]=3 1865 B11R1.136 CCC(C)(C)Sc1nncs1 62a_100000739804_100000032637 [0,1,0,0,0,1|1,0,0]=3 1866 B11R1.136 OCC(F)(F)Sc1nccs1 62a_100000211983_100011217949 [0,1,0,0,0,1|2,0,0]=4 1867 B11R1.136 OCC(F)(F)Sc1nccs1 62a_100011217949_100000211983 [0,1,0,0,0,1|2,0,0]=4 1868 B11R1.228 CC(CO)Sc1nccn1C 62a_100012180447_100000707724 [0,1,0,0,0,1|2,0,0]=4 1869 B11R1.228 CC(CO)Sc1sccc1Br 62a_100012180447_100012361411 [0,1,0,0,0,1|2,0,0]=4 1870 B11R1.228 CCC(C)Sc1n[nH]cc1Br 62a_100000758301_100015839836 [0,1,0,0,0,1|2,0,0]=4 1871 B11R1.228 CCC(C)Sc1n[nH]cc1Br 62a_100015839836_100000758301 [0,1,0,0,0,1|2,0,0]=4 1872 B11R1.228 CCC(C)Sc1n[nH]cc1C 62a_100000758301_100009871783 [0,1,0,0,0,1|2,0,0]=4 1873 B11R1.228 CCC(C)Sc1n[nH]cc1C 62a_100009871783_100000758301 [0,1,0,0,0,1|2,0,0]=4 1874 B11R1.228 CCC(C)Sc1n[nH]cc1N 62a_100000758301_100010894806 [0,1,0,0,0,1|2,0,0]=4 1875 B11R1.228 CCC(C)Sc1n[nH]cc1N 62a_100010894806_100000758301 [0,1,0,0,0,1|2,0,0]=4 1876 B11R1.228 CCC(C)Sc1nc[nH]c1C 62a_100000758301_100010186451 [0,1,0,0,0,1|2,0,0]=4 1877 B11R1.228 CCC(C)Sc1nc[nH]c1C 62a_100010186451_100000758301 [0,1,0,0,0,1|2,0,0]=4 1878 B11R1.228 CCC(C)Sc1nccn1C 62a_100000707724_100000758301 [0,1,0,0,0,1|1,0,0]=3 1879 B11R1.228 CCC(C)Sc1nccn1C 62a_100000758301_100000707724 [0,1,0,0,0,1|1,0,0]=3 1880 B11R1.228 CCC(C)Sc1ncnn1C 62a_100000732653_100000758301 [0,1,0,0,0,1|2,0,0]=4 1881 B11R1.228 CCC(C)Sc1ncnn1C 62a_100000758301_100000732653 [0,1,0,0,0,1|2,0,0]=4 1882 B11R1.228 CCC(C)Sc1ncsc1C 62a_100000732656_100000758301 [0,1,0,0,0,1|2,0,0]=4 1883 B11R1.228 CCC(C)Sc1ncsc1C 62a_100000758301_100000732656 [0,1,0,0,0,1|2,0,0]=4 1884 B11R1.228 CCC(C)Sc1sccc1Br 62a_100000758301_100012361411 [0,1,0,0,0,1|1,0,0]=3 1885 B11R1.228 CCC(C)Sc1sccc1Br 62a_100012361411_100000758301 [0,1,0,0,0,1|1,0,0]=3 1886 B11R1.228 CCC(C)Sc1sccc1C 62a_100000758301_100010247149 [0,1,0,0,0,1|1,0,0]=3 1887 B11R1.228 CCC(C)Sc1sccc1C 62a_100010247149_100000758301 [0,1,0,0,0,1|1,0,0]=3 1888 B11R1.228 CCC(C)Sc1scnc1C 62a_100000758301_100009817116 [0,1,0,0,0,1|2,0,0]=4 1889 B11R1.228 CCC(C)Sc1scnc1C 62a_100009817116_100000758301 [0,1,0,0,0,1|2,0,0]=4 1890 B11R1.228 CCN(C)Cc1nccn1C 2230a_100000225621_100000700302 [0,1,0,0,0,1|2,0,0]=4 1891 B11R1.228 CCN(C)Cc1nccn1C 269982a_100000225621_100000700302 [0,1,0,0,0,1|2,0,0]=4 1892 B11R1.228 CCN(C)Cc1sccc1Br 2230a_100000767120_100000210202 [0,1,0,0,0,1|2,0,0]=4 1893 B11R1.228 CCN(C)Cc1sccc1Br 269982a_100000767120_100000204670 [0,1,0,0,0,1|2,0,0]=4 1894 B11R1.228 CCN(C)Cc1sccc1C 2230a_100000695154_100000210202 [0,1,0,0,0,1|2,0,0]=4 1895 B11R1.228 CCN(C)Cc1sccc1C 269982a_100000695154_100000204670 [0,1,0,0,0,1|2,0,0]=4 1896 B11R1.228 COC(C)Sc1nccn1C 62a_100000707724_100009879195 [0,1,0,0,0,1|2,0,0]=4 1897 B11R1.228 COC(C)Sc1nccn1C 62a_100009879195_100000707724 [0,1,0,0,0,1|2,0,0]=4 1898 B11R1.228 COC(C)Sc1sccc1Br 62a_100009879195_100012361411 [0,1,0,0,0,1|2,0,0]=4 1899 B11R1.228 COC(C)Sc1sccc1Br 62a_100012361411_100009879195 [0,1,0,0,0,1|2,0,0]=4 1900 B11R1.228 COC(C)Sc1sccc1C 62a_100009879195_100010247149 [0,1,0,0,0,1|2,0,0]=4 1901 B11R1.228 COC(C)Sc1sccc1C 62a_100010247149_100009879195 [0,1,0,0,0,1|2,0,0]=4 1902 B11R1.228 C[C@H](CO)Sc1nccn1C 62a_100000707724_100016084084 [0,1,0,0,0,1|2,0,0]=4 1903 B11R1.228 C[C@H](CO)Sc1nccn1C 62a_100016084084_100000707724 [0,1,0,0,0,1|2,0,0]=4 1904 B11R1.228 C[C@H](CO)Sc1sccc1Br 62a_100012361411_100016084084 [0,1,0,0,0,1|2,0,0]=4 1905 B11R1.228 C[C@H](CO)Sc1sccc1Br 62a_100016084084_100012361411 [0,1,0,0,0,1|2,0,0]=4 1906 B11R1.228 Cc1ccsc1SC(C)CO 62a_100012180447_100010247149 [0,1,0,0,0,1|2,0,0]=4 1907 B11R1.228 Cc1ccsc1S[C@H](C)CO 62a_100010247149_100016084084 [0,1,0,0,0,1|2,0,0]=4 1908 B11R1.228 Cc1ccsc1S[C@H](C)CO 62a_100016084084_100010247149 [0,1,0,0,0,1|2,0,0]=4 1909 B11R1.6 CC(C)(O[13CH3])c1nc(cs1)Br 7a_100011934576_200025704644 [0,2,0,0,0,0|1,0,0]=3 1910 B11R1.6 CC(C)(O[13CH3])c1ncc(s1)Br 7a_200010140768_200025704644 [0,2,0,0,0,0|1,0,0]=3 1911 B11R1.6 CCC(C)(C)c1nc(no1)C 270196a_100000212224_100000749717 [0,2,0,0,0,0|1,1,0]=4 1912 B11R1.6 CCC(C)(O)c1nc(no1)C 270196a_100000212224_100011219770 [0,2,0,0,0,0|1,1,0]=4 1913 B11R1.6 COC(C)(C)c1nc(cs1)Br 7a_100011934576_200000210301 [0,2,0,0,0,0|1,0,0]=3 1914 B11R1.6 COC(C)(C)c1nc(cs1)C 7a_100010942429_200000210301 [0,2,0,0,0,0|1,0,0]=3 1915 B11R1.6 COC(C)(C)c1ncc(s1)Br 7a_200010140768_200000210301 [0,2,0,0,0,0|1,0,0]=3 1916 B11R1.6 Cc1csc(n1)C(C)(C)O[13CH3] 7a_100010942429_200025704644 [0,2,0,0,0,0|1,0,0]=3 1917 B11R1.33 CC(C)(OCF)c1cccs1 7a_100011410533_100015361967 [0,2,0,0,0,0|2,0,0]=4 1918 B11R1.33 CC(C)(OCF)c1nccs1 7a_200009882240_100015361967 [0,2,0,0,0,0|1,0,0]=3 1919 B11R1.33 CCNC(C)(C)c1cccs1 2230a_100000757009_100000210202 [0,2,0,0,0,0|1,0,0]=3 1920 B11R1.33 CCOC(C)(C)c1cccs1 7a_100011410533_100000210202 [0,2,0,0,0,0|1,0,0]=3 1921 B11R1.33 CCOC(C)(C)c1nccs1 7a_200009882240_100000210202 [0,2,0,0,0,0|0,0,0]=2 1922 B11R1.173 CC(=O)C(C)(C)c1cccs1 1458a_100000756239_200000210301 [0,2,0,0,0,0|1,0,1]=4 1923 B11R1.173 CC(C)(C(=O)[13CH3])c1cccs1 1458a_100000756239_200025704644 [0,2,0,0,0,0|1,0,1]=4 1924 B11R1.297 C#CC(C)(OC)c1nccs1 34a_100023823078_200000210301 [0,2,0,0,0,0|1,0,0]=3 1925 B11R1.297 C#CC(C)(OC)c1nccs1 7a_100023823078_200000210301 [0,2,0,0,0,0|1,0,0]=3 1926 B11R1.297 C#CC(C)(O[13CH3])c1nccs1 34a_100023823078_200025704644 [0,2,0,0,0,0|1,0,0]=3 1927 B11R1.297 C#CC(C)(O[13CH3])c1nccs1 7a_100023823078_200025704644 [0,2,0,0,0,0|1,0,0]=3 1928 B11R1.2 C#CCN(CC)c1ncns1 27a_100000744766_100000693119 [0,2,0,0,0,0|2,0,0]=4 1929 B11R1.2 C#CCN(CC)c1nncs1 27a_100000744766_100000739804 [0,2,0,0,0,0|2,0,0]=4 1930 B11R1.2 CCC(COC)n1cccn1 34a_100000099247_200000210301 [0,2,0,0,0,0|2,0,0]=4 1931 B11R1.2 CCC(COC)n1cccn1 7a_100000099247_200000210301 [0,2,0,0,0,0|2,0,0]=4 1932 B11R1.2 CCC(CO[13CH3])n1cccn1 34a_100000099247_200025704644 [0,2,0,0,0,0|2,0,0]=4 1933 B11R1.2 CCC(CO[13CH3])n1cccn1 7a_100000099247_200025704644 [0,2,0,0,0,0|2,0,0]=4 1934 B11R1.2 CCCC(NC)c1ccco1 269862a_106832991636_200011535218 [0,2,0,0,0,0|1,1,0]=4 1935 B11R1.2 CCCC(NC)c1cccs1 2230a_200015187693_200000210301 [0,2,0,0,0,0|1,0,0]=3 1936 B11R1.2 CCCC(NC)c1cccs1 269862a_106832991636_100011218182 [0,2,0,0,0,0|1,0,0]=3 1937 B11R1.2 CCCC(NC)c1cccs1 34a_200015187693_200000210301 [0,2,0,0,0,0|1,0,0]=3 1938 B11R1.2 CCCC(N[13CH3])c1cccs1 2230a_200015187693_200025704644 [0,2,0,0,0,0|1,0,0]=3 1939 B11R1.2 CCCC(N[13CH3])c1cccs1 34a_200015187693_200025704644 [0,2,0,0,0,0|1,0,0]=3 1940 B11R1.2 CCCN(CC)c1ncns1 27a_100000226822_100000693119 [0,2,0,0,0,0|2,0,0]=4 1941 B11R1.2 CCCN(CC)c1nncs1 27a_100000226822_100000739804 [0,2,0,0,0,0|2,0,0]=4 1942 B11R1.2 CCN(CCO)c1ncns1 27a_100000210973_100000693119 [0,2,0,0,0,0|2,0,0]=4 1943 B11R1.2 CCN(CCO)c1nncs1 27a_100000210973_100000739804 [0,2,0,0,0,0|2,0,0]=4 1944 B11R1.2 CCNC(CC)c1ccc[nH]1 269862a_100015525214_200000242565 [0,2,0,0,0,0|1,0,1]=4 1945 B11R1.2 CCNC(CC)c1ccco1 2230a_100015202707_100000210202 [0,2,0,0,0,0|1,1,0]=4 1946 B11R1.2 CCNC(CC)c1ccco1 269862a_100015525214_100000749595 [0,2,0,0,0,0|1,1,0]=4 1947 B11R1.2 CCNC(CC)c1cccs1 2230a_100000743277_100000210202 [0,2,0,0,0,0|1,0,0]=3 1948 B11R1.2 CCNC(CC)c1cccs1 269862a_100015525214_100000211688 [0,2,0,0,0,0|1,0,0]=3 1949 B11R1.2 CCNC(CC)c1nccs1 2230a_103436540099_100000210202 [0,2,0,0,0,0|0,0,0]=2 1950 B11R1.2 CCNC(CC)c1nccs1 269862a_100015525214_100000031915 [0,2,0,0,0,0|0,0,0]=2 1951 B11R1.2 CCNC(CO)c1cccs1 2230a_100102422791_100000210202 [0,2,0,0,0,0|1,0,0]=3 1952 B11R1.2 CCN[C@@H](CO)c1nccs1 2230a_202495363701_100000210202 [0,2,0,0,0,0|0,0,0]=2 1953 B11R1.2 CCOC(CN)c1ccco1 34a_100000738650_100000210202 [0,2,0,0,0,0|1,1,0]=4 1954 B11R1.11 CCC(CC)c1nc(no1)C 270196a_100000212224_100000211163 [0,2,0,0,0,0|1,1,0]=4 1955 B11R1.11 CCC(CC)c1noc(n1)C 270196a_100000753951_100000070787 [0,2,0,0,0,0|2,0,0]=4 1956 B11R1.11 CCC(CC)c1noc(n1)O 270196a_100000753951_100015183105 [0,2,0,0,0,0|2,0,0]=4 1957 B11R1.11 CCC(NC)c1ccc(o1)C 269862a_106832991636_100011218535 [0,2,0,0,0,0|1,1,0]=4 1958 B11R1.11 CCC(NC)c1ccc(s1)Br 269862a_106832991636_200011203577 [0,2,0,0,0,0|1,0,0]=3 1959 B11R1.11 CCC(NC)c1ccc(s1)C 269862a_106832991636_100011203523 [0,2,0,0,0,0|1,0,0]=3 1960 B11R1.11 CCC(NC)c1ccc(s1)Cl 269862a_106832991636_100000238488 [0,2,0,0,0,0|1,0,0]=3 1961 B11R1.11 CCC(NC)c1nc(c[nH]1)C 2230a_100015183110_200000210301 [0,2,0,0,0,0|1,0,0]=3 1962 B11R1.11 CCC(N[13CH3])c1nc(c[nH]1)C 2230a_100015183110_200025704644 [0,2,0,0,0,0|1,0,0]=3 1963 B11R1.11 CCC(OC)c1nc(no1)C 270196a_100000212224_100000747056 [0,2,0,0,0,0|1,1,0]=4 1964 B11R1.11 CCN(CC)c1nc(ns1)C 27a_100000724800_100000709739 [0,2,0,0,0,0|2,0,0]=4 1965 B11R1.11 CCN(CC)c1nnc(s1)C 27a_100000724800_100000686958 [0,2,0,0,0,0|2,0,0]=4 1966 B11R1.11 CCN(CC)c1nnc(s1)N 27a_100000724800_100000738278 [0,2,0,0,0,0|2,0,0]=4 1967 B11R1.11 CC[C@H](NC)c1ccc(o1)C 2230a_100012022952_200000210301 [0,2,0,0,0,0|1,1,0]=4 1968 B11R1.11 CC[C@H](NC)c1ccc(o1)C 34a_100012022952_200000210301 [0,2,0,0,0,0|1,1,0]=4 1969 B11R1.11 CC[C@H](N[13CH3])c1ccc(o1)C 2230a_100012022952_200025704644 [0,2,0,0,0,0|1,1,0]=4 1970 B11R1.11 CC[C@H](N[13CH3])c1ccc(o1)C 34a_100012022952_200025704644 [0,2,0,0,0,0|1,1,0]=4 1971 B11R1.168 CCC(NC)c1ncnn1C 269862a_106832991636_100011935039 [0,2,0,0,0,0|2,0,0]=4 1972 B11R1.298 CCC(C(=O)C)n1cccn1 1458a_100102952928_200000210301 [0,2,0,0,0,0|2,0,0]=4 1973 B11R1.298 CCC(C(=O)[13CH3])n1cccn1 1458a_100102952928_200025704644 [0,2,0,0,0,0|2,0,0]=4 1974 B11R1.298 CCN(c1ncns1)C(C)C 27a_100000223864_100000693119 [0,2,0,0,0,0|2,0,0]=4 1975 B11R1.298 CCN(c1nncs1)C(C)C 27a_100000223864_100000739804 [0,2,0,0,0,0|2,0,0]=4 1976 B11R1.15 CC(NCF)c1cc(cs1)Br 34a_100159270200_100015361967 [0,2,0,0,0,0|2,0,0]=4 1977 B11R1.15 CCCC(C)c1nc(no1)C 270196a_100000212224_100000210906 [0,2,0,0,0,0|1,1,0]=4 1978 B11R1.15 CCCN(C)c1nc(ns1)C 27a_100000747261_100000709739 [0,2,0,0,0,0|2,0,0]=4 1979 B11R1.15 CCCN(C)c1nnc(s1)C 27a_100000747261_100000686958 [0,2,0,0,0,0|2,0,0]=4 1980 B11R1.15 CCCN(C)c1nnc(s1)N 27a_100000747261_100000738278 [0,2,0,0,0,0|2,0,0]=4 1981 B11R1.15 CCNC(C)c1cc(cs1)Br 2230a_100159270200_100000210202 [0,2,0,0,0,0|1,0,0]=3 1982 B11R1.15 CCNC(C)c1cc(cs1)Br 269862a_100015525214_100000718618 [0,2,0,0,0,0|1,0,0]=3 1983 B11R1.15 CCNC(C)c1cc(cs1)Br 34a_100159270200_100000210202 [0,2,0,0,0,0|1,0,0]=3 1984 B11R1.15 CCNC(C)c1cc(cs1)C 269862a_100015525214_100000034720 [0,2,0,0,0,0|1,0,0]=3 1985 B11R1.15 CCNC(C)c1cc(cs1)Cl 269862a_100015525214_100000061699 [0,2,0,0,0,0|1,0,0]=3 1986 B11R1.15 CCNC(C)c1cc(on1)C 269862a_100015525214_100000723125 [0,2,0,0,0,0|2,0,0]=4 1987 B11R1.15 CCNC(C)c1ccc([nH]1)Br 269862a_100015525214_200010494458 [0,2,0,0,0,0|1,0,1]=4 1988 B11R1.15 CCNC(C)c1ccc(o1)C 269862a_100015525214_100000204583 [0,2,0,0,0,0|1,1,0]=4 1989 B11R1.15 CCNC(C)c1ccc(s1)Br 2230a_100102723530_100000210202 [0,2,0,0,0,0|1,0,0]=3 1990 B11R1.15 CCNC(C)c1ccc(s1)Br 269862a_100015525214_100000183331 [0,2,0,0,0,0|1,0,0]=3 1991 B11R1.15 CCNC(C)c1ccc(s1)C 269862a_100015525214_100000195387 [0,2,0,0,0,0|1,0,0]=3 1992 B11R1.15 CCNC(C)c1ccc(s1)Cl 2230a_100102723459_100000210202 [0,2,0,0,0,0|1,0,0]=3 1993 B11R1.15 CCNC(C)c1ccc(s1)Cl 269862a_100015525214_100000182421 [0,2,0,0,0,0|1,0,0]=3 1994 B11R1.15 CCNC(C)c1ccc(s1)I 269862a_100015525214_200000034408 [0,2,0,0,0,0|1,0,0]=3 1995 B11R1.15 CCNC(C)c1csc(n1)C 2230a_100000753491_100000210202 [0,2,0,0,0,0|2,0,0]=4 1996 B11R1.15 CCNC(C)c1csc(n1)C 269862a_100015525214_100000241968 [0,2,0,0,0,0|2,0,0]=4 1997 B11R1.15 CCNC(C)c1nc(c[nH]1)C 2230a_103496583476_100000210202 [0,2,0,0,0,0|1,0,0]=3 1998 B11R1.15 CCNC(C)c1nc(co1)C 270004a_100015525214_100009826828 [0,2,0,0,0,0|0,1,0]=3 1999 B11R1.15 CCNC(C)c1nc(cs1)C 2230a_100015185622_100000210202 [0,2,0,0,0,0|0,0,0]=2 2000 B11R1.15 CCNC(C)c1nc(cs1)C 269862a_100015525214_100011857357 [0,2,0,0,0,0|0,0,0]=2 2001 B11R1.15 CCNC(C)c1ncc(s1)C 269862a_100015525214_100011857370 [0,2,0,0,0,0|0,0,0]=2 2002 B11R1.15 CCNC(C)c1nnc([nH]1)C 2230a_100000729279_100000210202 [0,2,0,0,0,0|2,0,0]=4 2003 B11R1.15 CCOC(=O)c1nc(cs1)O 271570a_203496583355_200012359684 [0,2,0,0,0,0|1,0,1]=4 2004 B11R1.15 CCOC(=O)c1ncc(s1)O 271570a_203496583355_100012362614 [0,2,0,0,0,0|1,0,1]=4 2005 B11R1.15 CCOC(C)c1ccn(n1)C 34a_100012178569_100000210202 [0,2,0,0,0,0|2,0,0]=4 2006 B11R1.15 CCOC(C)c1nc(no1)C 270196a_100000212224_100000739345 [0,2,0,0,0,0|1,1,0]=4 2007 B11R1.15 CCOC(C)n1cc(cn1)O 271570a_203496583355_100010372000 [0,2,0,0,0,0|2,0,0]=4 2008 B11R1.15 CCOC(C)n1ccc(n1)O 271570a_203496583355_100135506065 [0,2,0,0,0,0|2,0,0]=4 2009 B11R1.15 CCSC(C)c1nc(no1)C 270196a_100000212224_100000230601 [0,2,0,0,0,0|1,1,0]=4 2010 B11R1.15 CN(CCO)c1nnc(s1)N 27a_100000210263_100000738278 [0,2,0,0,0,0|2,0,0]=4 2011 B11R1.15 CNCC(C)c1nc(cs1)C 2230a_100000701280_200000210301 [0,2,0,0,0,0|0,0,0]=2 2012 B11R1.15 COCC(C)c1noc(n1)C 270196a_100000748625_100000070787 [0,2,0,0,0,0|2,0,0]=4 2013 B11R1.15 COCC(C)c1noc(n1)O 270196a_100000748625_100015183105 [0,2,0,0,0,0|2,0,0]=4 2014 B11R1.15 COCC(C)n1cc(cn1)C 34a_100012002594_200000210301 [0,2,0,0,0,0|2,0,0]=4 2015 B11R1.15 COCC(C)n1cc(cn1)C 7a_100012002594_200000210301 [0,2,0,0,0,0|2,0,0]=4 2016 B11R1.15 CSCC(C)c1nc(no1)C 270196a_100000212224_100000753918 [0,2,0,0,0,0|1,1,0]=4 2017 B11R1.15 Cc1cnn(c1)C(C)CO[13CH3] 34a_100012002594_200025704644 [0,2,0,0,0,0|2,0,0]=4 2018 B11R1.15 Cc1cnn(c1)C(C)CO[13CH3] 7a_100012002594_200025704644 [0,2,0,0,0,0|2,0,0]=4 2019 B11R1.15 Cc1csc(n1)C(C)CN[13CH3] 2230a_100000701280_200025704644 [0,2,0,0,0,0|0,0,0]=2 2020 B11R1.15 Cc1nnc(s1)N(C)CCO 27a_100000210263_100000686958 [0,2,0,0,0,0|2,0,0]=4 2021 B11R1.15 Cc1nsc(n1)N(C)CCO 27a_100000210263_100000709739 [0,2,0,0,0,0|2,0,0]=4 2022 B11R1.29 C#CCNC(C)c1cccs1 2230a_100000703493_100000038162 [0,2,0,0,0,0|1,0,1]=4 2023 B11R1.29 C#CCNC(C)c1nccs1 2230a_100000725601_100000038162 [0,2,0,0,0,0|0,0,1]=3 2024 B11R1.29 C#CCOC(C)c1nccs1 7a_100000751044_100000038162 [0,2,0,0,0,0|0,0,1]=3 2025 B11R1.29 C#CCO[C@H](C)c1cccs1 7a_100000750433_100000038162 [0,2,0,0,0,0|1,0,1]=4 2026 B11R1.29 C=CCCN(C)c1ncns1 27a_100020639649_100000693119 [0,2,0,0,0,0|2,0,0]=4 2027 B11R1.29 C=CCCN(C)c1nncs1 27a_100020639649_100000739804 [0,2,0,0,0,0|2,0,0]=4 2028 B11R1.29 C=CCNC(C)c1cccs1 2230a_100000703493_100000210623 [0,2,0,0,0,0|1,0,1]=4 2029 B11R1.29 C=CCNC(C)c1nccs1 2230a_100000725601_100000210623 [0,2,0,0,0,0|0,0,1]=3 2030 B11R1.29 C=CCOC(C)c1nccs1 7a_100000751044_100015514636 [0,2,0,0,0,0|0,0,1]=3 2031 B11R1.29 C=CCO[C@H](C)c1cccs1 7a_100000750433_100015514636 [0,2,0,0,0,0|1,0,1]=4 2032 B11R1.29 CC(CCO[13CH3])n1cccn1 34a_100000090012_200025704644 [0,2,0,0,0,0|2,0,0]=4 2033 B11R1.29 CC(CCO[13CH3])n1cccn1 7a_100000090012_200025704644 [0,2,0,0,0,0|2,0,0]=4 2034 B11R1.29 CC(COCF)n1cccn1 34a_100011935049_100015361967 [0,2,0,0,0,0|2,0,0]=4 2035 B11R1.29 CC(NCC#N)c1cccs1 2230a_100000703493_100011215382 [0,2,0,0,0,0|1,0,1]=4 2036 B11R1.29 CC(NCC#N)c1nccs1 2230a_100000725601_100011215382 [0,2,0,0,0,0|0,0,1]=3 2037 B11R1.29 CC(NCC=O)c1cccs1 2230a_100000703493_200015260668 [0,2,0,0,0,0|1,0,1]=4 2038 B11R1.29 CC(NCC=O)c1nccs1 2230a_100000725601_200015260668 [0,2,0,0,0,0|0,0,1]=3 2039 B11R1.29 CC(NCCF)c1ccc[nH]1 269862a_100000724931_100000183661 [0,2,0,0,0,0|1,0,1]=4 2040 B11R1.29 CC(NCCF)c1cccs1 2230a_100000703493_100011217306 [0,2,0,0,0,0|1,0,0]=3 2041 B11R1.29 CC(NCCF)c1cccs1 269862a_100000724931_100000185736 [0,2,0,0,0,0|1,0,0]=3 2042 B11R1.29 CC(NCCF)c1cscn1 269862a_100000724931_100000693406 [0,2,0,0,0,0|2,0,0]=4 2043 B11R1.29 CC(NCCF)c1ncc[nH]1 269862a_100000724931_100000718901 [0,2,0,0,0,0|1,0,0]=3 2044 B11R1.29 CC(NCCF)c1nccs1 2230a_100000725601_100011217306 [0,2,0,0,0,0|0,0,0]=2 2045 B11R1.29 CC(NCCO)c1ccc[nH]1 269862a_100000210304_100000183661 [0,2,0,0,0,0|1,0,1]=4 2046 B11R1.29 CC(NCCO)c1cccs1 2230a_100000703493_100000211926 [0,2,0,0,0,0|1,0,0]=3 2047 B11R1.29 CC(NCCO)c1cccs1 269862a_100000210304_100000185736 [0,2,0,0,0,0|1,0,0]=3 2048 B11R1.29 CC(NCCO)c1cscn1 269862a_100000210304_100000693406 [0,2,0,0,0,0|2,0,0]=4 2049 B11R1.29 CC(NCCO)c1ncc[nH]1 269862a_100000210304_100000718901 [0,2,0,0,0,0|1,0,0]=3 2050 B11R1.29 CC(NCCO)c1nccs1 2230a_100000725601_100000211926 [0,2,0,0,0,0|0,0,0]=2 2051 B11R1.29 CC(OCC#N)c1nccs1 7a_100000751044_100011215382 [0,2,0,0,0,0|0,0,1]=3 2052 B11R1.29 CC(OCC=O)c1nccs1 7a_100000751044_200015260668 [0,2,0,0,0,0|0,0,1]=3 2053 B11R1.29 CC(OCCF)c1nccs1 7a_100000751044_100011217306 [0,2,0,0,0,0|0,0,0]=2 2054 B11R1.29 CC(OCCO)c1nccs1 7a_100000751044_100000211926 [0,2,0,0,0,0|0,0,0]=2 2055 B11R1.29 CCCCN(C)c1ncns1 27a_100000207549_100000693119 [0,2,0,0,0,0|2,0,0]=4 2056 B11R1.29 CCCCN(C)c1nncs1 27a_100000207549_100000739804 [0,2,0,0,0,0|2,0,0]=4 2057 B11R1.29 CCCNC(C)c1ccc[nH]1 269862a_100020643023_100000183661 [0,2,0,0,0,0|1,0,1]=4 2058 B11R1.29 CCCNC(C)c1cccs1 2230a_100000703493_100000210303 [0,2,0,0,0,0|1,0,0]=3 2059 B11R1.29 CCCNC(C)c1cccs1 269862a_100020643023_100000185736 [0,2,0,0,0,0|1,0,0]=3 2060 B11R1.29 CCCNC(C)c1cscn1 269862a_100020643023_100000693406 [0,2,0,0,0,0|2,0,0]=4 2061 B11R1.29 CCCNC(C)c1ncc[nH]1 269862a_100020643023_100000718901 [0,2,0,0,0,0|1,0,0]=3 2062 B11R1.29 CCCNC(C)c1nccs1 2230a_100000725601_100000210303 [0,2,0,0,0,0|0,0,0]=2 2063 B11R1.29 CCCN[C@H](C)c1ccco1 2230a_100160469435_100000210303 [0,2,0,0,0,0|1,1,0]=4 2064 B11R1.29 CCCOC(C)c1nccs1 7a_100000751044_100000210303 [0,2,0,0,0,0|0,0,0]=2 2065 B11R1.29 CCCO[C@@H](C)c1ccco1 34a_100000755270_100000210303 [0,2,0,0,0,0|1,1,0]=4 2066 B11R1.29 CCCO[C@@H](C)c1ccco1 7a_100000755270_100000210303 [0,2,0,0,0,0|1,1,0]=4 2067 B11R1.29 CCCO[C@H](C)c1cccs1 7a_100000750433_100000210303 [0,2,0,0,0,0|1,0,0]=3 2068 B11R1.29 CCNN=C(C)c1cccs1 4a_100000756455_100000185736 [0,2,0,0,0,0|1,0,1]=4 2069 B11R1.29 CCNN=C(C)c1ncc[nH]1 4a_100000756455_100000718901 [0,2,0,0,0,0|1,0,1]=4 2070 B11R1.29 CCNN=C(C)c1nccs1 4a_100000756455_100011217876 [0,2,0,0,0,0|0,0,1]=3 2071 B11R1.29 CCOCC(C)n1cccn1 34a_100011935049_100000210202 [0,2,0,0,0,0|2,0,0]=4 2072 B11R1.29 CCOCC(N)c1cccs1 34a_100102422791_100000210202 [0,2,0,0,0,0|2,0,0]=4 2073 B11R1.29 CCSCC(=O)c1nccs1 62a_100000210202_100000718653 [0,2,0,0,0,0|1,0,1]=4 2074 B11R1.29 CCSCC(=O)c1nccs1 62a_100000718653_100000210202 [0,2,0,0,0,0|1,0,1]=4 2075 B11R1.29 CN(CCC#N)c1ncns1 27a_100000184479_100000693119 [0,2,0,0,0,0|2,0,0]=4 2076 B11R1.29 CN(CCC#N)c1nncs1 27a_100000184479_100000739804 [0,2,0,0,0,0|2,0,0]=4 2077 B11R1.29 CN(CCCO)c1ncns1 27a_100000213112_100000693119 [0,2,0,0,0,0|2,0,0]=4 2078 B11R1.29 CN(CCCO)c1nncs1 27a_100000213112_100000739804 [0,2,0,0,0,0|2,0,0]=4 2079 B11R1.29 COCCC(C)n1cccn1 34a_100000090012_200000210301 [0,2,0,0,0,0|2,0,0]=4 2080 B11R1.29 COCCC(C)n1cccn1 7a_100000090012_200000210301 [0,2,0,0,0,0|2,0,0]=4 2081 B11R1.29 COCCN(C)c1ncns1 27a_100000743101_100000693119 [0,2,0,0,0,0|2,0,0]=4 2082 B11R1.29 COCCN(C)c1nncs1 27a_100000743101_100000739804 [0,2,0,0,0,0|2,0,0]=4 2083 B11R1.29 COCNC(C)c1cccs1 2230a_100000703493_100000766300 [0,2,0,0,0,0|1,0,0]=3 2084 B11R1.29 COCNC(C)c1nccs1 2230a_100000725601_100000766300 [0,2,0,0,0,0|0,0,0]=2 2085 B11R1.29 COCN[C@H](C)c1ccco1 2230a_100160469435_100000766300 [0,2,0,0,0,0|1,1,0]=4 2086 B11R1.29 CSCCN(C)c1ncns1 27a_100000686725_100000693119 [0,2,0,0,0,0|2,0,0]=4 2087 B11R1.29 CSCCN(C)c1nncs1 27a_100000686725_100000739804 [0,2,0,0,0,0|2,0,0]=4 2088 B11R1.29 CSCNC(C)c1cccs1 2230a_100000703493_100011218213 [0,2,0,0,0,0|1,0,0]=3 2089 B11R1.29 CSCNC(C)c1nccs1 2230a_100000725601_100011218213 [0,2,0,0,0,0|0,0,0]=2 2090 B11R1.29 CSCN[C@H](C)c1ccco1 2230a_100160469435_100011218213 [0,2,0,0,0,0|1,1,0]=4 2091 B11R1.29 CSCO[C@@H](C)c1ccco1 34a_100000755270_100011218213 [0,2,0,0,0,0|1,1,0]=4 2092 B11R1.29 C[C@@H](NCCF)c1ccco1 2230a_100160469435_100011217306 [0,2,0,0,0,0|1,1,0]=4 2093 B11R1.29 C[C@@H](NCCO)c1ccco1 2230a_100160469435_100000211926 [0,2,0,0,0,0|1,1,0]=4 2094 B11R1.29 C[C@@H](OCC#N)c1cccs1 7a_100000750433_100011215382 [0,2,0,0,0,0|1,0,1]=4 2095 B11R1.29 C[C@@H](OCC=O)c1cccs1 7a_100000750433_200015260668 [0,2,0,0,0,0|1,0,1]=4 2096 B11R1.29 C[C@@H](OCCF)c1cccs1 7a_100000750433_100011217306 [0,2,0,0,0,0|1,0,0]=3 2097 B11R1.29 C[C@@H](OCCO)c1cccs1 7a_100000750433_100000211926 [0,2,0,0,0,0|1,0,0]=3 2098 B11R1.29 C[C@H](OCCF)c1ccco1 34a_100000755270_100011217306 [0,2,0,0,0,0|1,1,0]=4 2099 B11R1.29 C[C@H](OCCF)c1ccco1 7a_100000755270_100011217306 [0,2,0,0,0,0|1,1,0]=4 2100 B11R1.29 C[C@H](OCCO)c1ccco1 34a_100000755270_100000211926 [0,2,0,0,0,0|1,1,0]=4 2101 B11R1.29 C[C@H](OCCO)c1ccco1 7a_100000755270_100000211926 [0,2,0,0,0,0|1,1,0]=4 2102 B11R1.29 NC(COCF)c1cccs1 34a_100102422791_100015361967 [0,2,0,0,0,0|2,0,0]=4 2103 B11R1.29 O=C(CSCF)c1nccs1 62a_100000718653_100015361967 [0,2,0,0,0,0|1,0,1]=4 2104 B11R1.29 O=C(CSCF)c1nccs1 62a_100015361967_100000718653 [0,2,0,0,0,0|1,0,1]=4 2105 B11R1.77 C=C(C)CN(C)c1ncns1 27a_100000225649_100000693119 [0,2,0,0,0,0|2,0,0]=4 2106 B11R1.77 C=C(C)CN(C)c1nncs1 27a_100000225649_100000739804 [0,2,0,0,0,0|2,0,0]=4 2107 B11R1.77 CC(=O)CC(=O)c1nccs1 1458a_100000070787_100000718653 [0,2,0,0,0,0|1,0,1]=4 2108 B11R1.77 CC(=O)CC(C)n1cccn1 1458a_100011311474_200000210301 [0,2,0,0,0,0|2,0,0]=4 2109 B11R1.77 CC(=O)NC(C)c1cccs1 11a_100000703493_100015343762 [0,2,0,0,0,0|1,0,1]=4 2110 B11R1.77 CC(=O)NC(C)c1cccs1 1626a_100000703493_100015343762 [0,2,0,0,0,0|1,0,1]=4 2111 B11R1.77 CC(=O)NC(C)c1cccs1 240690a_100000703493_100015343762 [0,2,0,0,0,0|1,0,1]=4 2112 B11R1.77 CC(=O)NC(C)c1cccs1 527a_100000703493_100103153847 [0,2,0,0,0,0|1,0,1]=4 2113 B11R1.77 CC(=O)NC(C)c1nccs1 11a_100000725601_100015343762 [0,2,0,0,0,0|0,0,1]=3 2114 B11R1.77 CC(=O)NC(C)c1nccs1 1626a_100000725601_100015343762 [0,2,0,0,0,0|0,0,1]=3 2115 B11R1.77 CC(=O)NC(C)c1nccs1 240690a_100000725601_100015343762 [0,2,0,0,0,0|0,0,1]=3 2116 B11R1.77 CC(=O)NC(C)c1nccs1 527a_100000725601_100103153847 [0,2,0,0,0,0|0,0,1]=3 2117 B11R1.77 CC(C)CN(C)c1ncns1 27a_100000747067_100000693119 [0,2,0,0,0,0|2,0,0]=4 2118 B11R1.77 CC(C)CN(C)c1nncs1 27a_100000747067_100000739804 [0,2,0,0,0,0|2,0,0]=4 2119 B11R1.77 CC(C)C[C@H](N)c1cccs1 271570a_100015190218_100011215356 [0,2,0,0,0,0|2,0,0]=4 2120 B11R1.77 CC(C)C[C@H](N)c1ncc[nH]1 271570a_100015190218_100025796157 [0,2,0,0,0,0|2,0,0]=4 2121 B11R1.77 CC(C)C[C@H](N)c1ncco1 271570a_100015190218_100011787736 [0,2,0,0,0,0|1,1,0]=4 2122 B11R1.77 CC(C)C[C@H](N)c1nccs1 271570a_100015190218_100000211983 [0,2,0,0,0,0|1,0,0]=3 2123 B11R1.77 CC(C)C[C@H](N)c1ncns1 271570a_100015190218_100000693119 [0,2,0,0,0,0|2,0,0]=4 2124 B11R1.77 CC(C)C[C@H](N)c1nncs1 271570a_100015190218_100000739804 [0,2,0,0,0,0|2,0,0]=4 2125 B11R1.77 CC(C)NC(C)c1cccs1 2230a_100000703493_100000210206 [0,2,0,0,0,0|1,0,0]=3 2126 B11R1.77 CC(C)NC(C)c1nccs1 2230a_100000725601_100000210206 [0,2,0,0,0,0|0,0,0]=2 2127 B11R1.77 CC(C)N[C@H](C)c1ccco1 2230a_100160469435_100000210206 [0,2,0,0,0,0|1,1,0]=4 2128 B11R1.77 CC(C)OC(C)c1nccs1 7a_100000751044_100000210206 [0,2,0,0,0,0|0,0,0]=2 2129 B11R1.77 CC(C)O[C@@H](C)c1ccco1 34a_100000755270_100000210206 [0,2,0,0,0,0|1,1,0]=4 2130 B11R1.77 CC(C)O[C@@H](C)c1ccco1 7a_100000755270_100000210206 [0,2,0,0,0,0|1,1,0]=4 2131 B11R1.77 CC(C)O[C@H](C)c1cccs1 7a_100000750433_100000210206 [0,2,0,0,0,0|1,0,0]=3 2132 B11R1.77 CC(CC(=O)[13CH3])n1cccn1 1458a_100011311474_200025704644 [0,2,0,0,0,0|2,0,0]=4 2133 B11R1.77 CC(O)CN(C)c1ncns1 27a_100000227577_100000693119 [0,2,0,0,0,0|2,0,0]=4 2134 B11R1.77 CC(O)CN(C)c1nncs1 27a_100000227577_100000739804 [0,2,0,0,0,0|2,0,0]=4 2135 B11R1.77 CN(C)CC(=O)c1nccs1 269982a_100102631434_100000718653 [0,2,0,0,0,0|1,0,1]=4 2136 B11R1.199 CCNC(C)c1cccn1C 269862a_100015525214_100000709046 [0,2,0,0,0,0|1,0,1]=4 2137 B11R1.199 CCNC(C)c1nccn1C 269862a_100015525214_100000756116 [0,2,0,0,0,0|1,0,0]=3 2138 B11R1.199 CCNC(C)c1ncnn1C 2230a_100000717668_100000210202 [0,2,0,0,0,0|2,0,0]=4 2139 B11R1.199 CCNC(C)c1ncsc1C 2230a_100020603492_100000210202 [0,2,0,0,0,0|2,0,0]=4 2140 B11R1.199 CCNC(C)c1nncn1C 2230a_100000740431_100000210202 [0,2,0,0,0,0|2,0,0]=4 2141 B11R1.199 CCNC(C)c1sccc1Br 269862a_100015525214_100000738688 [0,2,0,0,0,0|1,0,0]=3 2142 B11R1.44 CCC(C)c1nc(no1)CF 270196a_200000032654_100011192722 [0,2,0,0,0,0|1,1,0]=4 2143 B11R1.44 CCC(C)c1noc(n1)CO 270196a_100000752268_100000210174 [0,2,0,0,0,0|2,0,0]=4 2144 B11R1.44 CCc1ccc(s1)C(C)NC 269862a_106832991636_100000198524 [0,2,0,0,0,0|2,0,0]=4 2145 B11R1.44 CCc1nc(no1)C(C)CC 270196a_100000752268_100000210414 [0,2,0,0,0,0|2,0,0]=4 2146 B11R1.44 CCc1noc(n1)C(C)CC 270196a_200000212204_100011192722 [0,2,0,0,0,0|1,1,0]=4 2147 B11R1.226 CNC(C)c1cc(c(s1)Br)Cl 269862a_106832991636_200012360051 [0,2,0,0,0,0|2,0,0]=4 2148 B11R1.226 CNC(C)c1cc(c(s1)Cl)Cl 269862a_106832991636_100000074699 [0,2,0,0,0,0|2,0,0]=4 2149 B11R1.314 CC(=C(C)c1nc(cs1)Br)C 271570a_200000049429_200016082925 [0,2,0,0,0,0|0,0,2]=4 2150 B11R1.314 CC(=C(C)c1nc(cs1)C)C 271570a_200000049429_100011291629 [0,2,0,0,0,0|0,0,2]=4 2151 B11R1.314 CC(=C(C)c1nc(cs1)N)C 271570a_200000049429_200015188442 [0,2,0,0,0,0|0,0,2]=4 2152 B11R1.314 CC(=C(C)c1ncc(s1)C)C 271570a_200000049429_100000690809 [0,2,0,0,0,0|0,0,2]=4 2153 B11R1.314 CC(C)N(C)c1nnc(s1)N 27a_200000211004_100000738278 [0,2,0,0,0,0|2,0,0]=4 2154 B11R1.314 Cc1coc(n1)C(C)N(C)C 270004a_100102631434_100009826828 [0,2,0,0,0,0|1,1,0]=4 2155 B11R1.314 Cc1nnc(s1)N(C)C(C)C 27a_200000211004_100000686958 [0,2,0,0,0,0|2,0,0]=4 2156 B11R1.314 Cc1noc(n1)C(C)C(C)C 270196a_100000212224_100000755409 [0,2,0,0,0,0|1,1,0]=4 2157 B11R1.314 Cc1nsc(n1)N(C)C(C)C 27a_200000211004_100000709739 [0,2,0,0,0,0|2,0,0]=4 2158 B9R1.74 C=CCC(=O)C1(CC1)C 1458a_100000756474_100000210623 [0,0,1,1,0,0|1,1,0]=4 2159 B9R1.183 C=CCC(=O)C1CC1C 1458a_100000211227_100000210623 [0,0,1,1,0,0|1,1,0]=4 2160 B9R2.2 c1c[nH]c(n1)C2CC2 271570a_100011220607_100025796157 [1,0,0,1,0,0|1,0,0]=3 2161 B9R2.2 c1cc(n[nH]1)C2CC2 271570a_100011220607_100000062575 [1,0,0,1,0,0|2,0,0]=4 2162 B9R2.2 c1cc(ns1)C2CC2 271570a_100011220607_100009818082 [1,0,0,1,0,0|2,0,0]=4 2163 B9R2.2 c1coc(c1)C2CC2 271570a_100011220607_100009814098 [1,0,0,1,0,0|1,1,0]=4 2164 B9R2.2 c1coc(n1)C2CC2 271570a_100011220607_100011787736 [1,0,0,1,0,0|0,1,0]=3 2165 B9R2.2 c1csc(c1)C2CC2 271570a_100011220607_100011215356 [1,0,0,1,0,0|1,0,0]=3 2166 B9R2.2 c1csc(n1)C2CC2 271570a_100011220607_100000211983 [1,0,0,1,0,0|0,0,0]=2 2167 B9R2.2 c1nc(c[nH]1)C2CC2 271570a_100011220607_100000756875 [1,0,0,1,0,0|2,0,0]=4 2168 B9R2.2 c1nc(cs1)C2CC2 271570a_100011220607_100000751502 [1,0,0,1,0,0|2,0,0]=4 2169 B9R2.2 c1nc(n[nH]1)C2CC2 271570a_100011220607_100000761765 [1,0,0,1,0,0|2,0,0]=4 2170 B9R2.2 c1ncc(s1)C2CC2 271570a_100011220607_100011934649 [1,0,0,1,0,0|2,0,0]=4 2171 B9R2.2 c1nnc(s1)C2CC2 271570a_100011220607_100000739804 [1,0,0,1,0,0|1,0,0]=3 2172 B9R2.2 c1nsc(n1)C2CC2 271570a_100011220607_100000693119 [1,0,0,1,0,0|1,0,0]=3 2173 B11R2.239 c1cc(ncn1)N2CCC2 27a_100000754969_100000703185 [0,0,0,1,0,1|2,0,0]=4 2174 B11R2.239 c1cnc(cn1)N2CCC2 27a_100000754969_100000211759 [0,0,0,1,0,1|2,0,0]=4 2175 B11R2.239 c1cnc(nc1)N2CCC2 27a_100000754969_100000211032 [0,0,0,1,0,1|2,0,0]=4 2176 B11R2.239 c1cnnc(c1)N2CCC2 27a_100000754969_100016991348 [0,0,0,1,0,1|2,0,0]=4 2177 B11R2.5 F[C@@H]1C[C@H]1Nc2ncns2 27a_100025746932_100000693119 [0,0,0,1,0,1|2,0,0]=4 2178 B11R2.5 F[C@@H]1C[C@H]1Nc2nncs2 27a_100025746932_100000739804 [0,0,0,1,0,1|2,0,0]=4 2179 B11R2.5 F[C@H]1C[C@H]1Nc2ncns2 27a_100015190264_100000693119 [0,0,0,1,0,1|2,0,0]=4 2180 B11R2.5 F[C@H]1C[C@H]1Nc2nncs2 27a_100015190264_100000739804 [0,0,0,1,0,1|2,0,0]=4 2181 B11R2.7 CC1CCN1c2ncns2 27a_100000755817_100000693119 [0,0,0,1,0,1|1,0,0]=3 2182 B11R2.7 CC1CCN1c2nncs2 27a_100000755817_100000739804 [0,0,0,1,0,1|1,0,0]=3 2183 B11R2.36 CN1CCc2ccsc2C1 2230a_100000694341_200000210301 [0,0,0,1,0,1|2,0,0]=4 2184 B11R2.36 CN1CCc2ccsc2C1 269982a_100000694341_200000210301 [0,0,0,1,0,1|2,0,0]=4 2185 B11R2.36 CN1CCc2ccsc2C1 34a_100000694341_200000210301 [0,0,0,1,0,1|2,0,0]=4 2186 B11R2.36 CN1CCn2ccnc2C1 2230a_100000749140_200000210301 [0,0,0,1,0,1|2,0,0]=4 2187 B11R2.36 CN1CCn2ccnc2C1 269982a_100000749140_200000210301 [0,0,0,1,0,1|2,0,0]=4 2188 B11R2.36 [13CH3]N1CCc2ccsc2C1 2230a_100000694341_200025704644 [0,0,0,1,0,1|2,0,0]=4 2189 B11R2.36 [13CH3]N1CCc2ccsc2C1 269982a_100000694341_200025704644 [0,0,0,1,0,1|2,0,0]=4 2190 B11R2.36 [13CH3]N1CCc2ccsc2C1 34a_100000694341_200025704644 [0,0,0,1,0,1|2,0,0]=4 2191 B11R2.36 [13CH3]N1CCn2ccnc2C1 2230a_100000749140_200025704644 [0,0,0,1,0,1|2,0,0]=4 2192 B11R2.36 [13CH3]N1CCn2ccnc2C1 269982a_100000749140_200025704644 [0,0,0,1,0,1|2,0,0]=4 2193 B11R2.237 c1c[nH]c(n1)CN2CCC2 269982a_100000754969_100016991755 [0,0,0,1,0,1|2,0,0]=4 2194 B11R2.237 c1c[nH]c(n1)SC2CCC2 62a_100025796157_100000749161 [0,0,0,1,0,1|1,0,0]=3 2195 B11R2.237 c1c[nH]c(n1)SC2COC2 62a_100025796157_100009818527 [0,0,0,1,0,1|2,0,0]=4 2196 B11R2.237 c1cc(n[nH]1)SC2CCC2 62a_100000062575_100000749161 [0,0,0,1,0,1|2,0,0]=4 2197 B11R2.237 c1cc(no1)SC2CCC2 62a_100009818083_100000749161 [0,0,0,1,0,1|2,0,0]=4 2198 B11R2.237 c1cc(ns1)SC2CCC2 62a_100009818082_100000749161 [0,0,0,1,0,1|2,0,0]=4 2199 B11R2.237 c1coc(c1)SC2CCC2 62a_100009814098_100000749161 [0,0,0,1,0,1|1,1,0]=4 2200 B11R2.237 c1coc(n1)CN2CCC2 269982a_100000754969_103436540062 [0,0,0,1,0,1|1,1,0]=4 2201 B11R2.237 c1coc(n1)SC2CCC2 62a_100011787736_100000749161 [0,0,0,1,0,1|0,1,0]=3 2202 B11R2.237 c1coc(n1)SC2COC2 62a_100011787736_100009818527 [0,0,0,1,0,1|1,1,0]=4 2203 B11R2.237 c1csc(c1)SC2CCC2 62a_100011215356_100000749161 [0,0,0,1,0,1|1,0,0]=3 2204 B11R2.237 c1csc(c1)SC2COC2 62a_100011215356_100009818527 [0,0,0,1,0,1|2,0,0]=4 2205 B11R2.237 c1csc(n1)CN2CCC2 269982a_100000754969_100015184050 [0,0,0,1,0,1|1,0,0]=3 2206 B11R2.237 c1csc(n1)SC2CCC2 62a_100000211983_100000749161 [0,0,0,1,0,1|0,0,0]=2 2207 B11R2.237 c1csc(n1)SC2COC2 62a_100000211983_100009818527 [0,0,0,1,0,1|1,0,0]=3 2208 B11R2.237 c1nc(c[nH]1)SC2CCC2 62a_100000756875_100000749161 [0,0,0,1,0,1|2,0,0]=4 2209 B11R2.237 c1nc(cs1)SC2CCC2 62a_100000751502_100000749161 [0,0,0,1,0,1|2,0,0]=4 2210 B11R2.237 c1nc(n[nH]1)SC2CCC2 62a_100000761765_100000749161 [0,0,0,1,0,1|2,0,0]=4 2211 B11R2.237 c1ncc(s1)SC2CCC2 62a_100011934649_100000749161 [0,0,0,1,0,1|2,0,0]=4 2212 B11R2.237 c1nnc(s1)NC2CCC2 27a_100000749019_100000739804 [0,0,0,1,0,1|1,0,0]=3 2213 B11R2.237 c1nnc(s1)NC2COC2 27a_100016991112_100000739804 [0,0,0,1,0,1|2,0,0]=4 2214 B11R2.237 c1nnc(s1)NC2CSC2 27a_100016994217_100000739804 [0,0,0,1,0,1|2,0,0]=4 2215 B11R2.237 c1nnc(s1)SC2CCC2 62a_100000739804_100000749161 [0,0,0,1,0,1|1,0,0]=3 2216 B11R2.237 c1nnc(s1)SC2COC2 62a_100000739804_100009818527 [0,0,0,1,0,1|2,0,0]=4 2217 B11R2.237 c1nsc(n1)NC2CCC2 27a_100000749019_100000693119 [0,0,0,1,0,1|1,0,0]=3 2218 B11R2.237 c1nsc(n1)NC2COC2 27a_100016991112_100000693119 [0,0,0,1,0,1|2,0,0]=4 2219 B11R2.237 c1nsc(n1)NC2CSC2 27a_100016994217_100000693119 [0,0,0,1,0,1|2,0,0]=4 2220 B11R2.237 c1nsc(n1)SC2CCC2 62a_100000693119_100000749161 [0,0,0,1,0,1|1,0,0]=3 2221 B11R2.237 c1nsc(n1)SC2COC2 62a_100000693119_100009818527 [0,0,0,1,0,1|2,0,0]=4 2222 B11R2.388 CC1(CC1)Nc2ncns2 27a_100000757604_100000693119 [0,0,0,1,0,1|1,0,0]=3 2223 B11R2.388 CC1(CC1)Nc2nncs2 27a_100000757604_100000739804 [0,0,0,1,0,1|1,0,0]=3 2224 B11R2.2 C1=C(CCC1)c2cccs2 271570a_100000089523_100011215356 [0,1,0,1,0,0|1,0,1]=4 2225 B11R2.2 C1=C(CCC1)c2ncc[nH]2 271570a_100000089523_100025796157 [0,1,0,1,0,0|1,0,1]=4 2226 B11R2.2 C1=C(CCC1)c2ncco2 271570a_100000089523_100011787736 [0,1,0,1,0,0|0,1,1]=4 2227 B11R2.2 C1=C(CCC1)c2nccs2 271570a_100000089523_100000211983 [0,1,0,1,0,0|0,0,1]=3 2228 B11R2.2 C1=C(CCC1)c2ncns2 271570a_100000089523_100000693119 [0,1,0,1,0,0|1,0,1]=4 2229 B11R2.2 C1=C(CCC1)c2nncs2 271570a_100000089523_100000739804 [0,1,0,1,0,0|1,0,1]=4 2230 B11R2.2 C1=C(CCO1)c2nccs2 271570a_100000118173_100000211983 [0,1,0,1,0,0|0,0,2]=4 2231 B11R2.2 C1=C(COC1)c2nccs2 271570a_100009872500_100000211983 [0,1,0,1,0,0|0,0,2]=4 2232 B11R2.2 c1nnc(s1)N2CCCC2 27a_100000188435_100000739804 [0,1,0,1,0,0|2,0,0]=4 2233 B11R2.2 c1nnc(s1)N2CCSC2 27a_100011215254_100000739804 [0,1,0,1,0,0|2,0,0]=4 2234 B11R2.2 c1nsc(n1)N2CCCC2 27a_100000188435_100000693119 [0,1,0,1,0,0|2,0,0]=4 2235 B11R2.2 c1nsc(n1)N2CCSC2 27a_100011215254_100000693119 [0,1,0,1,0,0|2,0,0]=4 2236 B11R2.191 CNC1CCc2c1scc2 269862a_106832991636_100000080523 [0,1,0,1,0,0|1,0,0]=3 2237 B11R2.191 CNC1CCn2c1ncc2 270004a_106832991635_100009824702 [0,1,0,1,0,0|1,0,0]=3 2238 B11R2.191 COC1CCn2c1ncc2 7a_100009824360_200000210301 [0,1,0,1,0,0|1,0,0]=3 2239 B11R2.191 [13CH3]OC1CCn2c1ncc2 7a_100009824360_200025704644 [0,1,0,1,0,0|1,0,0]=3 2240 B11R2.11 CC1CN(C1)c2ncns2 27a_100000702820_100000693119 [0,1,0,1,0,0|2,0,0]=4 2241 B11R2.11 CC1CN(C1)c2nncs2 27a_100000702820_100000739804 [0,1,0,1,0,0|2,0,0]=4 2242 B11R2.11 CN1CC(C1)n2cccn2 2230a_100000751007_200000210301 [0,1,0,1,0,0|2,0,0]=4 2243 B11R2.11 CN1CC(C1)n2cccn2 269982a_100000751007_200000210301 [0,1,0,1,0,0|2,0,0]=4 2244 B11R2.11 FC1CN(C1)c2ncns2 27a_100000690557_100000693119 [0,1,0,1,0,0|2,0,0]=4 2245 B11R2.11 FC1CN(C1)c2nncs2 27a_100000690557_100000739804 [0,1,0,1,0,0|2,0,0]=4 2246 B11R2.11 OC1CN(C1)c2ncns2 27a_100000749847_100000693119 [0,1,0,1,0,0|2,0,0]=4 2247 B11R2.11 OC1CN(C1)c2nncs2 27a_100000749847_100000739804 [0,1,0,1,0,0|2,0,0]=4 2248 B11R2.11 [13CH3]N1CC(C1)n2cccn2 2230a_100000751007_200025704644 [0,1,0,1,0,0|2,0,0]=4 2249 B11R2.11 [13CH3]N1CC(C1)n2cccn2 269982a_100000751007_200025704644 [0,1,0,1,0,0|2,0,0]=4 2250 B11R2.1031 C=C(c1nccs1)C2CC2 271570a_100010895485_100000211983 [0,1,0,1,0,0|0,0,2]=4 2251 B11R2.1031 CN(c1ncns1)C2CC2 27a_100000226674_100000693119 [0,1,0,1,0,0|2,0,0]=4 2252 B11R2.1031 CN(c1nncs1)C2CC2 27a_100000226674_100000739804 [0,1,0,1,0,0|2,0,0]=4 2253 B11R2.33 Cc1noc(n1)C2CC2C 270196a_100000212224_100000211227 [0,1,0,1,0,0|1,1,0]=4 2254 B11R2.352 Cc1nc(no1)C2CCC2 270196a_100000739640_100000070787 [0,1,0,1,0,0|2,0,0]=4 2255 B11R2.352 Cc1nnc(s1)N2CCC2 27a_100000754969_100000686958 [0,1,0,1,0,0|2,0,0]=4 2256 B11R2.352 Cc1noc(n1)C2CCC2 270196a_100000212224_100000209988 [0,1,0,1,0,0|1,1,0]=4 2257 B11R2.352 Cc1nsc(n1)N2CCC2 27a_100000754969_100000709739 [0,1,0,1,0,0|2,0,0]=4 2258 B11R2.352 Nc1nnc(s1)N2CCC2 27a_100000754969_100000738278 [0,1,0,1,0,0|2,0,0]=4 2259 B11R2.352 Oc1cnn(c1)C2CCC2 271570a_203496583355_100010281268 [0,1,0,1,0,0|2,0,0]=4 2260 B11R2.352 Oc1nc(n[nH]1)C2CCC2 271570a_203496583355_100010173363 [0,1,0,1,0,0|2,0,0]=4 2261 B11R2.352 Oc1nc(no1)C2CCC2 270196a_100000739640_100015183105 [0,1,0,1,0,0|2,0,0]=4 2262 B11R2.353 Cc1noc(n1)C2(CC2)C 270196a_100000212224_100000756474 [0,1,0,1,0,0|1,1,0]=4 2263 B9R1.6 CN(C)c1cccnn1 27a_100102631434_100016991348 [1,0,0,0,0,1|2,0,0]=4 2264 B9R1.6 CN(C)c1ccncn1 27a_100102631434_100000703185 [1,0,0,0,0,1|2,0,0]=4 2265 B9R1.6 CN(C)c1cnccn1 27a_100102631434_100000211759 [1,0,0,0,0,1|2,0,0]=4 2266 B9R1.6 CN(C)c1ncccn1 27a_100102631434_100000211032 [1,0,0,0,0,1|2,0,0]=4 2267 B9R1.8 CCNc1cccnn1 27a_100015525214_100016991348 [1,0,0,0,0,1|2,0,0]=4 2268 B9R1.8 CCNc1ccncn1 27a_100015525214_100000703185 [1,0,0,0,0,1|2,0,0]=4 2269 B9R1.8 CCNc1cnccn1 27a_100015525214_100000211759 [1,0,0,0,0,1|2,0,0]=4 2270 B9R1.8 CCNc1ncccn1 27a_100015525214_100000211032 [1,0,0,0,0,1|2,0,0]=4 2271 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [1,0,0,0,0,1|2,0,0]=4 2272 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [1,0,0,0,0,1|2,0,0]=4 2273 B9R1.8 CCSc1ccccn1 62a_100000210202_100011216584 [1,0,0,0,0,1|2,0,0]=4 2274 B9R1.8 CCSc1ccccn1 62a_100011216584_100000210202 [1,0,0,0,0,1|2,0,0]=4 2275 B9R1.8 CCSc1cccnc1 62a_100000210063_100000210202 [1,0,0,0,0,1|2,0,0]=4 2276 B9R1.8 CCSc1cccnc1 62a_100000210202_100000210063 [1,0,0,0,0,1|2,0,0]=4 2277 B9R1.8 CCSc1cccnn1 62a_100000210202_100016991348 [1,0,0,0,0,1|2,0,0]=4 2278 B9R1.8 CCSc1cccnn1 62a_100016991348_100000210202 [1,0,0,0,0,1|2,0,0]=4 2279 B9R1.8 CCSc1ccncn1 62a_100000210202_100000703185 [1,0,0,0,0,1|2,0,0]=4 2280 B9R1.8 CCSc1ccncn1 62a_100000703185_100000210202 [1,0,0,0,0,1|2,0,0]=4 2281 B9R1.8 CCSc1cnccn1 62a_100000210202_100000211759 [1,0,0,0,0,1|2,0,0]=4 2282 B9R1.8 CCSc1cnccn1 62a_100000211759_100000210202 [1,0,0,0,0,1|2,0,0]=4 2283 B9R1.8 CCSc1ncccn1 62a_100000210202_100000211032 [1,0,0,0,0,1|2,0,0]=4 2284 B9R1.8 CCSc1ncccn1 62a_100000211032_100000210202 [1,0,0,0,0,1|2,0,0]=4 2285 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [1,0,0,0,0,1|2,0,0]=4 2286 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [1,0,0,0,0,1|2,0,0]=4 2287 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [1,0,0,0,0,1|2,0,0]=4 2288 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [1,0,0,0,0,1|2,0,0]=4 2289 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [1,0,0,0,0,1|2,0,0]=4 2290 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [1,0,0,0,0,1|2,0,0]=4 2291 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [1,0,0,0,0,1|2,0,0]=4 2292 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [1,0,0,0,0,1|2,0,0]=4 2293 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [1,0,0,0,0,1|2,0,0]=4 2294 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [1,0,0,0,0,1|2,0,0]=4 2295 B9R1.8 CNCc1cccnn1 2230a_100159270163_200000210301 [1,0,0,0,0,1|2,0,0]=4 2296 B9R1.8 CNCc1cccnn1 2230a_106832991635_100016990269 [1,0,0,0,0,1|2,0,0]=4 2297 B9R1.8 CNCc1cccnn1 34a_100102657272_100016990269 [1,0,0,0,0,1|2,0,0]=4 2298 B9R1.8 CNCc1cccnn1 7a_106832991635_100016990269 [1,0,0,0,0,1|2,0,0]=4 2299 B9R1.8 CNCc1cnccn1 2230a_106832991635_100016995436 [1,0,0,0,0,1|2,0,0]=4 2300 B9R1.8 CNCc1cnccn1 270004a_106832991635_100000749867 [1,0,0,0,0,1|2,0,0]=4 2301 B9R1.8 CNCc1cnccn1 34a_100102657272_100016995436 [1,0,0,0,0,1|2,0,0]=4 2302 B9R1.8 CNCc1cnccn1 7a_106832991635_100016995436 [1,0,0,0,0,1|2,0,0]=4 2303 B9R1.8 CNCc1ncccn1 2230a_106832991635_100000703007 [1,0,0,0,0,1|2,0,0]=4 2304 B9R1.8 CNCc1ncccn1 270004a_106832991635_100011532527 [1,0,0,0,0,1|2,0,0]=4 2305 B9R1.8 CNCc1ncccn1 34a_100102657272_100000703007 [1,0,0,0,0,1|2,0,0]=4 2306 B9R1.8 CNCc1ncccn1 7a_106832991635_100000703007 [1,0,0,0,0,1|2,0,0]=4 2307 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [1,0,0,0,0,1|2,0,0]=4 2308 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [1,0,0,0,0,1|2,0,0]=4 2309 B9R1.8 COCc1cccnn1 34a_100138415774_100016990269 [1,0,0,0,0,1|2,0,0]=4 2310 B9R1.8 COCc1cnccn1 34a_100138415774_100016995436 [1,0,0,0,0,1|2,0,0]=4 2311 B9R1.8 COCc1ncccn1 34a_100138415774_100000703007 [1,0,0,0,0,1|2,0,0]=4 2312 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [1,0,0,0,0,1|2,0,0]=4 2313 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [1,0,0,0,0,1|2,0,0]=4 2314 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [1,0,0,0,0,1|2,0,0]=4 2315 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [1,0,0,0,0,1|2,0,0]=4 2316 B9R1.8 CSCc1cccnn1 62a_100016990269_200000210301 [1,0,0,0,0,1|2,0,0]=4 2317 B9R1.8 CSCc1cccnn1 62a_200000210301_100016990269 [1,0,0,0,0,1|2,0,0]=4 2318 B9R1.8 CSCc1cnccn1 62a_100016995436_200000210301 [1,0,0,0,0,1|2,0,0]=4 2319 B9R1.8 CSCc1cnccn1 62a_200000210301_100016995436 [1,0,0,0,0,1|2,0,0]=4 2320 B9R1.8 CSCc1ncccn1 62a_100000703007_200000210301 [1,0,0,0,0,1|2,0,0]=4 2321 B9R1.8 CSCc1ncccn1 62a_200000210301_100000703007 [1,0,0,0,0,1|2,0,0]=4 2322 B9R1.8 [13CH3]NCc1cccnn1 2230a_100159270163_200025704644 [1,0,0,0,0,1|2,0,0]=4 2323 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [1,0,0,0,0,1|2,0,0]=4 2324 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [1,0,0,0,0,1|2,0,0]=4 2325 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [1,0,0,0,0,1|2,0,0]=4 2326 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [1,0,0,0,0,1|2,0,0]=4 2327 B9R1.8 [13CH3]SCc1cccnn1 62a_100016990269_200025704644 [1,0,0,0,0,1|2,0,0]=4 2328 B9R1.8 [13CH3]SCc1cccnn1 62a_200025704644_100016990269 [1,0,0,0,0,1|2,0,0]=4 2329 B9R1.8 [13CH3]SCc1cnccn1 62a_100016995436_200025704644 [1,0,0,0,0,1|2,0,0]=4 2330 B9R1.8 [13CH3]SCc1cnccn1 62a_200025704644_100016995436 [1,0,0,0,0,1|2,0,0]=4 2331 B9R1.8 [13CH3]SCc1ncccn1 62a_100000703007_200025704644 [1,0,0,0,0,1|2,0,0]=4 2332 B9R1.8 [13CH3]SCc1ncccn1 62a_200025704644_100000703007 [1,0,0,0,0,1|2,0,0]=4 2333 B11R1.40 CC(CO)Oc1cccnc1 34a_100000210849_100012180447 [0,0,0,0,0,2|2,0,0]=4 2334 B11R1.40 CC(CO)Oc1cccnc1 7a_100000210849_100012180447 [0,0,0,0,0,2|2,0,0]=4 2335 B11R1.40 CC(CO)Sc1ccccn1 62a_100012180447_100011216584 [0,0,0,0,0,2|2,0,0]=4 2336 B11R1.40 CC(CO)Sc1cccnc1 62a_100012180447_100000210063 [0,0,0,0,0,2|2,0,0]=4 2337 B11R1.40 CC(CO)Sc1cccnn1 62a_100012180447_100016991348 [0,0,0,0,0,2|2,0,0]=4 2338 B11R1.40 CC(CO)Sc1ccncn1 62a_100012180447_100000703185 [0,0,0,0,0,2|2,0,0]=4 2339 B11R1.40 CC(CO)Sc1cnccn1 62a_100012180447_100000211759 [0,0,0,0,0,2|2,0,0]=4 2340 B11R1.40 CC(CO)Sc1ncccn1 62a_100012180447_100000211032 [0,0,0,0,0,2|2,0,0]=4 2341 B11R1.40 CC(Cc1ccccn1)N[13CH3] 2230a_100000238496_200025704644 [0,0,0,0,0,2|2,0,0]=4 2342 B11R1.40 CC(Cc1cccnc1)N[13CH3] 2230a_100011207255_200025704644 [0,0,0,0,0,2|2,0,0]=4 2343 B11R1.40 CC(Cc1cnccn1)N[13CH3] 2230a_100011277835_200025704644 [0,0,0,0,0,2|2,0,0]=4 2344 B11R1.40 CCC(C)Nc1ccccc1 34a_100000106764_100011215416 [0,0,0,0,0,2|2,0,0]=4 2345 B11R1.40 CCC(C)Oc1ccccc1 34a_100000210340_100011215416 [0,0,0,0,0,2|2,0,0]=4 2346 B11R1.40 CCC(C)Oc1ccccc1 7a_100000210340_100000758301 [0,0,0,0,0,2|2,0,0]=4 2347 B11R1.40 CCC(C)Oc1cccnc1 34a_100000210849_100011215416 [0,0,0,0,0,2|1,0,0]=3 2348 B11R1.40 CCC(C)Oc1cccnc1 7a_100000210849_100000758301 [0,0,0,0,0,2|1,0,0]=3 2349 B11R1.40 CCC(C)Oc1ccncc1 34a_100000212176_100011215416 [0,0,0,0,0,2|2,0,0]=4 2350 B11R1.40 CCC(C)Oc1ccnnc1 34a_100015204005_100011215416 [0,0,0,0,0,2|2,0,0]=4 2351 B11R1.40 CCC(C)Oc1cncnc1 7a_100000754086_100000758301 [0,0,0,0,0,2|2,0,0]=4 2352 B11R1.40 CCC(C)Sc1ccccc1 62a_100000719477_100000758301 [0,0,0,0,0,2|2,0,0]=4 2353 B11R1.40 CCC(C)Sc1ccccc1 62a_100000758301_100000041952 [0,0,0,0,0,2|2,0,0]=4 2354 B11R1.40 CCC(C)Sc1ccccn1 62a_100000758301_100011216584 [0,0,0,0,0,2|1,0,0]=3 2355 B11R1.40 CCC(C)Sc1ccccn1 62a_100011216584_100000758301 [0,0,0,0,0,2|1,0,0]=3 2356 B11R1.40 CCC(C)Sc1cccnc1 62a_100000210063_100000758301 [0,0,0,0,0,2|1,0,0]=3 2357 B11R1.40 CCC(C)Sc1cccnc1 62a_100000758301_100000210063 [0,0,0,0,0,2|1,0,0]=3 2358 B11R1.40 CCC(C)Sc1cccnn1 62a_100000758301_100016991348 [0,0,0,0,0,2|1,0,0]=3 2359 B11R1.40 CCC(C)Sc1cccnn1 62a_100016991348_100000758301 [0,0,0,0,0,2|1,0,0]=3 2360 B11R1.40 CCC(C)Sc1ccncc1 62a_100000728582_100000758301 [0,0,0,0,0,2|2,0,0]=4 2361 B11R1.40 CCC(C)Sc1ccncc1 62a_100000758301_100000728582 [0,0,0,0,0,2|2,0,0]=4 2362 B11R1.40 CCC(C)Sc1ccncn1 62a_100000703185_100000758301 [0,0,0,0,0,2|1,0,0]=3 2363 B11R1.40 CCC(C)Sc1ccncn1 62a_100000758301_100000703185 [0,0,0,0,0,2|1,0,0]=3 2364 B11R1.40 CCC(C)Sc1ccnnc1 62a_100000732662_100000758301 [0,0,0,0,0,2|2,0,0]=4 2365 B11R1.40 CCC(C)Sc1ccnnc1 62a_100000758301_100000732662 [0,0,0,0,0,2|2,0,0]=4 2366 B11R1.40 CCC(C)Sc1cnccn1 62a_100000211759_100000758301 [0,0,0,0,0,2|1,0,0]=3 2367 B11R1.40 CCC(C)Sc1cnccn1 62a_100000758301_100000211759 [0,0,0,0,0,2|1,0,0]=3 2368 B11R1.40 CCC(C)Sc1cncnc1 62a_100000758301_100011206942 [0,0,0,0,0,2|2,0,0]=4 2369 B11R1.40 CCC(C)Sc1cncnc1 62a_100011206942_100000758301 [0,0,0,0,0,2|2,0,0]=4 2370 B11R1.40 CCC(C)Sc1ncccn1 62a_100000211032_100000758301 [0,0,0,0,0,2|1,0,0]=3 2371 B11R1.40 CCC(C)Sc1ncccn1 62a_100000758301_100000211032 [0,0,0,0,0,2|1,0,0]=3 2372 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000201164_200000210301 [0,0,0,0,0,2|2,0,0]=4 2373 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000207498_100000210202 [0,0,0,0,0,2|2,0,0]=4 2374 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000225621_100000721315 [0,0,0,0,0,2|2,0,0]=4 2375 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000201164_200000210301 [0,0,0,0,0,2|2,0,0]=4 2376 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000207498_100000204670 [0,0,0,0,0,2|2,0,0]=4 2377 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000225621_100000721315 [0,0,0,0,0,2|2,0,0]=4 2378 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000184577_100000210202 [0,0,0,0,0,2|2,0,0]=4 2379 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000186920_200000210301 [0,0,0,0,0,2|2,0,0]=4 2380 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000225621_100000741622 [0,0,0,0,0,2|2,0,0]=4 2381 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000184577_100000204670 [0,0,0,0,0,2|2,0,0]=4 2382 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000186920_200000210301 [0,0,0,0,0,2|2,0,0]=4 2383 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000225621_100000733263 [0,0,0,0,0,2|2,0,0]=4 2384 B11R1.40 CCN(C)Cc1cccnn1 2230a_100000225621_100016990269 [0,0,0,0,0,2|2,0,0]=4 2385 B11R1.40 CCN(C)Cc1cnccn1 2230a_100000225621_100016995436 [0,0,0,0,0,2|2,0,0]=4 2386 B11R1.40 CCN(C)Cc1cnccn1 2230a_100011269079_100000210202 [0,0,0,0,0,2|2,0,0]=4 2387 B11R1.40 CCN(C)Cc1cnccn1 269982a_100000225621_100016995436 [0,0,0,0,0,2|2,0,0]=4 2388 B11R1.40 CCN(C)Cc1cnccn1 269982a_100011269079_100000204670 [0,0,0,0,0,2|2,0,0]=4 2389 B11R1.40 CCN(C)Cc1ncccn1 2230a_100000225621_100000703007 [0,0,0,0,0,2|2,0,0]=4 2390 B11R1.40 CCN(C)Cc1ncccn1 2230a_100025716638_100000210202 [0,0,0,0,0,2|2,0,0]=4 2391 B11R1.40 CCN(C)Cc1ncccn1 269982a_100000225621_100000703007 [0,0,0,0,0,2|2,0,0]=4 2392 B11R1.40 CCN(C)Cc1ncccn1 269982a_100025716638_100000204670 [0,0,0,0,0,2|2,0,0]=4 2393 B11R1.40 CCN([13CH3])Cc1ccccn1 2230a_100000201164_200025704644 [0,0,0,0,0,2|2,0,0]=4 2394 B11R1.40 CCN([13CH3])Cc1ccccn1 269982a_100000201164_200025704644 [0,0,0,0,0,2|2,0,0]=4 2395 B11R1.40 CCN([13CH3])Cc1cccnc1 2230a_100000186920_200025704644 [0,0,0,0,0,2|2,0,0]=4 2396 B11R1.40 CCN([13CH3])Cc1cccnc1 269982a_100000186920_200025704644 [0,0,0,0,0,2|2,0,0]=4 2397 B11R1.40 CNC(C)Cc1ccccn1 2230a_100000238496_200000210301 [0,0,0,0,0,2|2,0,0]=4 2398 B11R1.40 CNC(C)Cc1cccnc1 2230a_100011207255_200000210301 [0,0,0,0,0,2|2,0,0]=4 2399 B11R1.40 CNC(C)Cc1cccnc1 270004a_106832991635_100015187140 [0,0,0,0,0,2|2,0,0]=4 2400 B11R1.40 CNC(C)Cc1cnccn1 2230a_100011277835_200000210301 [0,0,0,0,0,2|2,0,0]=4 2401 B11R1.40 CNC(C)Cc1cnccn1 270004a_106832991635_100015184882 [0,0,0,0,0,2|2,0,0]=4 2402 B11R1.40 COC(C)Sc1ccccn1 62a_100009879195_100011216584 [0,0,0,0,0,2|2,0,0]=4 2403 B11R1.40 COC(C)Sc1ccccn1 62a_100011216584_100009879195 [0,0,0,0,0,2|2,0,0]=4 2404 B11R1.40 COC(C)Sc1cccnc1 62a_100000210063_100009879195 [0,0,0,0,0,2|2,0,0]=4 2405 B11R1.40 COC(C)Sc1cccnc1 62a_100009879195_100000210063 [0,0,0,0,0,2|2,0,0]=4 2406 B11R1.40 COC(C)Sc1cccnn1 62a_100009879195_100016991348 [0,0,0,0,0,2|2,0,0]=4 2407 B11R1.40 COC(C)Sc1cccnn1 62a_100016991348_100009879195 [0,0,0,0,0,2|2,0,0]=4 2408 B11R1.40 COC(C)Sc1ccncn1 62a_100000703185_100009879195 [0,0,0,0,0,2|2,0,0]=4 2409 B11R1.40 COC(C)Sc1ccncn1 62a_100009879195_100000703185 [0,0,0,0,0,2|2,0,0]=4 2410 B11R1.40 COC(C)Sc1cnccn1 62a_100000211759_100009879195 [0,0,0,0,0,2|2,0,0]=4 2411 B11R1.40 COC(C)Sc1cnccn1 62a_100009879195_100000211759 [0,0,0,0,0,2|2,0,0]=4 2412 B11R1.40 COC(C)Sc1ncccn1 62a_100000211032_100009879195 [0,0,0,0,0,2|2,0,0]=4 2413 B11R1.40 COC(C)Sc1ncccn1 62a_100009879195_100000211032 [0,0,0,0,0,2|2,0,0]=4 2414 B11R1.40 C[C@H](CF)Nc1cccnn1 27a_100102880703_100016991348 [0,0,0,0,0,2|2,0,0]=4 2415 B11R1.40 C[C@H](CF)Nc1ccncn1 27a_100102880703_100000703185 [0,0,0,0,0,2|2,0,0]=4 2416 B11R1.40 C[C@H](CF)Nc1cnccn1 27a_100102880703_100000211759 [0,0,0,0,0,2|2,0,0]=4 2417 B11R1.40 C[C@H](CF)Nc1ncccn1 27a_100102880703_100000211032 [0,0,0,0,0,2|2,0,0]=4 2418 B11R1.40 C[C@H](CO)Nc1cccnn1 27a_100000737577_100016991348 [0,0,0,0,0,2|2,0,0]=4 2419 B11R1.40 C[C@H](CO)Nc1ccncn1 27a_100000737577_100000703185 [0,0,0,0,0,2|2,0,0]=4 2420 B11R1.40 C[C@H](CO)Nc1cnccn1 27a_100000737577_100000211759 [0,0,0,0,0,2|2,0,0]=4 2421 B11R1.40 C[C@H](CO)Nc1ncccn1 27a_100000737577_100000211032 [0,0,0,0,0,2|2,0,0]=4 2422 B11R1.40 C[C@H](CO)Sc1ccccn1 62a_100011216584_100016084084 [0,0,0,0,0,2|2,0,0]=4 2423 B11R1.40 C[C@H](CO)Sc1ccccn1 62a_100016084084_100011216584 [0,0,0,0,0,2|2,0,0]=4 2424 B11R1.40 C[C@H](CO)Sc1cccnc1 62a_100000210063_100016084084 [0,0,0,0,0,2|2,0,0]=4 2425 B11R1.40 C[C@H](CO)Sc1cccnc1 62a_100016084084_100000210063 [0,0,0,0,0,2|2,0,0]=4 2426 B11R1.40 C[C@H](CO)Sc1cccnn1 62a_100016084084_100016991348 [0,0,0,0,0,2|2,0,0]=4 2427 B11R1.40 C[C@H](CO)Sc1cccnn1 62a_100016991348_100016084084 [0,0,0,0,0,2|2,0,0]=4 2428 B11R1.40 C[C@H](CO)Sc1ccncn1 62a_100000703185_100016084084 [0,0,0,0,0,2|2,0,0]=4 2429 B11R1.40 C[C@H](CO)Sc1ccncn1 62a_100016084084_100000703185 [0,0,0,0,0,2|2,0,0]=4 2430 B11R1.40 C[C@H](CO)Sc1cnccn1 62a_100000211759_100016084084 [0,0,0,0,0,2|2,0,0]=4 2431 B11R1.40 C[C@H](CO)Sc1cnccn1 62a_100016084084_100000211759 [0,0,0,0,0,2|2,0,0]=4 2432 B11R1.40 C[C@H](CO)Sc1ncccn1 62a_100000211032_100016084084 [0,0,0,0,0,2|2,0,0]=4 2433 B11R1.40 C[C@H](CO)Sc1ncccn1 62a_100016084084_100000211032 [0,0,0,0,0,2|2,0,0]=4 2434 B11R1.25 C#CC(C)NCc1nccs1 2230a_100000707721_100015184050 [0,0,0,0,0,2|0,0,2]=4 2435 B11R1.25 C#CC(C)NCc1nccs1 270004a_100000707721_100000750902 [0,0,0,0,0,2|0,0,2]=4 2436 B11R1.25 C#CC(C)NCc1nccs1 34a_100000707721_100015184050 [0,0,0,0,0,2|0,0,2]=4 2437 B11R1.25 C#CC(C)SCc1nccs1 62a_200000035995_100015184050 [0,0,0,0,0,2|0,0,2]=4 2438 B11R1.25 C#C[C@@H](C)OCc1nccs1 34a_100009815206_100015184050 [0,0,0,0,0,2|0,0,2]=4 2439 B11R1.25 C#C[C@@H](C)OCc1nccs1 7a_100009815206_100015184050 [0,0,0,0,0,2|0,0,2]=4 2440 B11R1.25 C=CC(C)OCc1nccs1 34a_100000695699_100015184050 [0,0,0,0,0,2|0,0,2]=4 2441 B11R1.25 C=CC(C)SCc1nccs1 62a_100011215867_100015184050 [0,0,0,0,0,2|0,0,2]=4 2442 B11R1.25 CC(=NNc1nccs1)CF 4a_100011198208_100000039719 [0,0,0,0,0,2|1,0,1]=4 2443 B11R1.25 CC(=NNc1nccs1)CO 4a_100011198208_100000211253 [0,0,0,0,0,2|1,0,1]=4 2444 B11R1.25 CC(C#N)NCc1nccs1 2230a_100000737613_100015184050 [0,0,0,0,0,2|1,0,1]=4 2445 B11R1.25 CC(C#N)NCc1nccs1 2230a_100000740555_100000184139 [0,0,0,0,0,2|1,0,1]=4 2446 B11R1.25 CC(C#N)OCc1nccs1 34a_100011218135_100015184050 [0,0,0,0,0,2|1,0,1]=4 2447 B11R1.25 CC(C#N)SCc1nccs1 62a_100000703298_100015184050 [0,0,0,0,0,2|1,0,1]=4 2448 B11R1.25 CC(C#N)SCc1nccs1 62a_100015184050_100000703298 [0,0,0,0,0,2|1,0,1]=4 2449 B11R1.25 CC(CF)OCc1ncc[nH]1 34a_100016041109_100016991755 [0,0,0,0,0,2|2,0,0]=4 2450 B11R1.25 CC(CF)OCc1ncc[nH]1 7a_100016041109_100000753453 [0,0,0,0,0,2|2,0,0]=4 2451 B11R1.25 CC(CF)OCc1ncco1 34a_100016041109_103436540062 [0,0,0,0,0,2|1,1,0]=4 2452 B11R1.25 CC(CF)OCc1ncco1 7a_100016041109_103436540062 [0,0,0,0,0,2|1,1,0]=4 2453 B11R1.25 CC(CF)OCc1nccs1 34a_100016041109_100015184050 [0,0,0,0,0,2|1,0,0]=3 2454 B11R1.25 CC(CF)OCc1nccs1 7a_100016041109_100015184050 [0,0,0,0,0,2|1,0,0]=3 2455 B11R1.25 CC(CN)OCc1ncc[nH]1 34a_100000210904_100016991755 [0,0,0,0,0,2|2,0,0]=4 2456 B11R1.25 CC(CN)OCc1ncco1 34a_100000210904_103436540062 [0,0,0,0,0,2|1,1,0]=4 2457 B11R1.25 CC(CN)OCc1nccs1 34a_100000210904_100015184050 [0,0,0,0,0,2|1,0,0]=3 2458 B11R1.25 CC(CO)CNc1ncns1 27a_100000744482_100000693119 [0,0,0,0,0,2|2,0,0]=4 2459 B11R1.25 CC(CO)CNc1nncs1 27a_100000744482_100000739804 [0,0,0,0,0,2|2,0,0]=4 2460 B11R1.25 CC(CO)NCc1cccs1 2230a_100000211653_100012180447 [0,0,0,0,0,2|2,0,0]=4 2461 B11R1.25 CC(CO)NCc1ncco1 2230a_100016994969_100012180447 [0,0,0,0,0,2|1,1,0]=4 2462 B11R1.25 CC(CO)NCc1nccs1 2230a_100000740555_100012180447 [0,0,0,0,0,2|1,0,0]=3 2463 B11R1.25 CC(CO)OCc1cccs1 34a_100000211240_100012180447 [0,0,0,0,0,2|2,0,0]=4 2464 B11R1.25 CC(CO)OCc1ncco1 34a_100000062594_100012180447 [0,0,0,0,0,2|1,1,0]=4 2465 B11R1.25 CC(CO)SCc1ncc[nH]1 62a_100012180447_100016991755 [0,0,0,0,0,2|2,0,0]=4 2466 B11R1.25 CC(CO)SCc1ncco1 62a_100012180447_103436540062 [0,0,0,0,0,2|1,1,0]=4 2467 B11R1.25 CC(CO)SCc1nccs1 62a_100012180447_100015184050 [0,0,0,0,0,2|1,0,0]=3 2468 B11R1.25 CCC(=O)C=Cc1nccs1 1458a_100102558208_100000210202 [0,0,0,0,0,2|1,0,1]=4 2469 B11R1.25 CCC(=O)C=Cc1nccs1 6a_100000750902_100000211110 [0,0,0,0,0,2|1,0,1]=4 2470 B11R1.25 CCC(=O)CCc1nccs1 1458a_100000742873_100000210202 [0,0,0,0,0,2|1,0,1]=4 2471 B11R1.25 CCC(=O)CSc1nccs1 62a_100000211983_100000747405 [0,0,0,0,0,2|1,0,1]=4 2472 B11R1.25 CCC(=O)CSc1nccs1 62a_100000747405_100000211983 [0,0,0,0,0,2|1,0,1]=4 2473 B11R1.25 CCC(=O)NCc1nccs1 11a_100000740555_100000210414 [0,0,0,0,0,2|1,0,1]=4 2474 B11R1.25 CCC(=O)NCc1nccs1 1626a_100000740555_100000210414 [0,0,0,0,0,2|1,0,1]=4 2475 B11R1.25 CCC(=O)NCc1nccs1 240690a_100000740555_100000210414 [0,0,0,0,0,2|1,0,1]=4 2476 B11R1.25 CCC(=O)NCc1nccs1 527a_100000740555_100000210414 [0,0,0,0,0,2|1,0,1]=4 2477 B11R1.25 CCC(=O)NNc1nccs1 22a_100011198208_100000210414 [0,0,0,0,0,2|1,0,1]=4 2478 B11R1.25 CCC(C)CNc1ncns1 27a_100020588543_100000693119 [0,0,0,0,0,2|1,0,0]=3 2479 B11R1.25 CCC(C)CNc1nncs1 27a_100020588543_100000739804 [0,0,0,0,0,2|1,0,0]=3 2480 B11R1.25 CCC(C)CSc1c[nH]cn1 62a_100000748023_100000756875 [0,0,0,0,0,2|2,0,0]=4 2481 B11R1.25 CCC(C)CSc1c[nH]cn1 62a_100000756875_100000748023 [0,0,0,0,0,2|2,0,0]=4 2482 B11R1.25 CCC(C)CSc1cc[nH]n1 62a_100000062575_100000748023 [0,0,0,0,0,2|2,0,0]=4 2483 B11R1.25 CCC(C)CSc1cc[nH]n1 62a_100000748023_100000062575 [0,0,0,0,0,2|2,0,0]=4 2484 B11R1.25 CCC(C)CSc1ccco1 62a_100000748023_100009814098 [0,0,0,0,0,2|1,1,0]=4 2485 B11R1.25 CCC(C)CSc1ccco1 62a_100009814098_100000748023 [0,0,0,0,0,2|1,1,0]=4 2486 B11R1.25 CCC(C)CSc1cccs1 62a_100000748023_100011215356 [0,0,0,0,0,2|1,0,0]=3 2487 B11R1.25 CCC(C)CSc1cccs1 62a_100011215356_100000748023 [0,0,0,0,0,2|1,0,0]=3 2488 B11R1.25 CCC(C)CSc1ccon1 62a_100000748023_100009818083 [0,0,0,0,0,2|2,0,0]=4 2489 B11R1.25 CCC(C)CSc1ccon1 62a_100009818083_100000748023 [0,0,0,0,0,2|2,0,0]=4 2490 B11R1.25 CCC(C)CSc1ccsn1 62a_100000748023_100009818082 [0,0,0,0,0,2|2,0,0]=4 2491 B11R1.25 CCC(C)CSc1ccsn1 62a_100009818082_100000748023 [0,0,0,0,0,2|2,0,0]=4 2492 B11R1.25 CCC(C)CSc1cncs1 62a_100000748023_100011934649 [0,0,0,0,0,2|2,0,0]=4 2493 B11R1.25 CCC(C)CSc1cncs1 62a_100011934649_100000748023 [0,0,0,0,0,2|2,0,0]=4 2494 B11R1.25 CCC(C)CSc1cscn1 62a_100000748023_100000751502 [0,0,0,0,0,2|2,0,0]=4 2495 B11R1.25 CCC(C)CSc1cscn1 62a_100000751502_100000748023 [0,0,0,0,0,2|2,0,0]=4 2496 B11R1.25 CCC(C)CSc1nc[nH]n1 62a_100000748023_100000761765 [0,0,0,0,0,2|2,0,0]=4 2497 B11R1.25 CCC(C)CSc1nc[nH]n1 62a_100000761765_100000748023 [0,0,0,0,0,2|2,0,0]=4 2498 B11R1.25 CCC(C)CSc1ncc[nH]1 62a_100000748023_100025796157 [0,0,0,0,0,2|1,0,0]=3 2499 B11R1.25 CCC(C)CSc1ncc[nH]1 62a_100025796157_100000748023 [0,0,0,0,0,2|1,0,0]=3 2500 B11R1.25 CCC(C)CSc1ncco1 62a_100000748023_100011787736 [0,0,0,0,0,2|0,1,0]=3 2501 B11R1.25 CCC(C)CSc1ncco1 62a_100011787736_100000748023 [0,0,0,0,0,2|0,1,0]=3 2502 B11R1.25 CCC(C)CSc1nccs1 62a_100000211983_100000748023 [0,0,0,0,0,2|0,0,0]=2 2503 B11R1.25 CCC(C)CSc1nccs1 62a_100000748023_100000211983 [0,0,0,0,0,2|0,0,0]=2 2504 B11R1.25 CCC(C)CSc1ncns1 62a_100000693119_100000748023 [0,0,0,0,0,2|1,0,0]=3 2505 B11R1.25 CCC(C)CSc1ncns1 62a_100000748023_100000693119 [0,0,0,0,0,2|1,0,0]=3 2506 B11R1.25 CCC(C)CSc1nncs1 62a_100000739804_100000748023 [0,0,0,0,0,2|1,0,0]=3 2507 B11R1.25 CCC(C)CSc1nncs1 62a_100000748023_100000739804 [0,0,0,0,0,2|1,0,0]=3 2508 B11R1.25 CCC(C)NCc1c[nH]cn1 2230a_100000209981_100000707719 [0,0,0,0,0,2|2,0,0]=4 2509 B11R1.25 CCC(C)NCc1cc[nH]n1 207a_100000209981_100000738523 [0,0,0,0,0,2|2,0,0]=4 2510 B11R1.25 CCC(C)NCc1cc[nH]n1 270004a_100000209981_100000738523 [0,0,0,0,0,2|2,0,0]=4 2511 B11R1.25 CCC(C)NCc1ccco1 207a_100000209981_100000186105 [0,0,0,0,0,2|1,1,0]=4 2512 B11R1.25 CCC(C)NCc1ccco1 2230a_100000185738_100000758301 [0,0,0,0,0,2|1,1,0]=4 2513 B11R1.25 CCC(C)NCc1ccco1 270004a_100000209981_100000186105 [0,0,0,0,0,2|1,1,0]=4 2514 B11R1.25 CCC(C)NCc1ccco1 34a_100000185738_100011215416 [0,0,0,0,0,2|1,1,0]=4 2515 B11R1.25 CCC(C)NCc1cccs1 207a_100000209981_100000209959 [0,0,0,0,0,2|1,0,0]=3 2516 B11R1.25 CCC(C)NCc1cccs1 2230a_100000211653_100000758301 [0,0,0,0,0,2|1,0,0]=3 2517 B11R1.25 CCC(C)NCc1cccs1 270004a_100000209981_100000209959 [0,0,0,0,0,2|1,0,0]=3 2518 B11R1.25 CCC(C)NCc1ccon1 2230a_100000209981_100000234950 [0,0,0,0,0,2|2,0,0]=4 2519 B11R1.25 CCC(C)NCc1cncs1 207a_100000209981_100000749870 [0,0,0,0,0,2|2,0,0]=4 2520 B11R1.25 CCC(C)NCc1cncs1 2230a_100000209981_100015185245 [0,0,0,0,0,2|2,0,0]=4 2521 B11R1.25 CCC(C)NCc1cncs1 2230a_100016987365_100000758301 [0,0,0,0,0,2|2,0,0]=4 2522 B11R1.25 CCC(C)NCc1cncs1 270004a_100000209981_100000749870 [0,0,0,0,0,2|2,0,0]=4 2523 B11R1.25 CCC(C)NCc1cocn1 270004a_100000209981_100000050382 [0,0,0,0,0,2|2,0,0]=4 2524 B11R1.25 CCC(C)NCc1cscn1 207a_100000209981_100000743575 [0,0,0,0,0,2|2,0,0]=4 2525 B11R1.25 CCC(C)NCc1cscn1 2230a_100000209981_100000205941 [0,0,0,0,0,2|2,0,0]=4 2526 B11R1.25 CCC(C)NCc1cscn1 2230a_100015185402_100000758301 [0,0,0,0,0,2|2,0,0]=4 2527 B11R1.25 CCC(C)NCc1cscn1 270004a_100000209981_100000743575 [0,0,0,0,0,2|2,0,0]=4 2528 B11R1.25 CCC(C)NCc1ncc[nH]1 207a_100000209981_100000743867 [0,0,0,0,0,2|1,0,0]=3 2529 B11R1.25 CCC(C)NCc1ncc[nH]1 2230a_100000209981_100016991755 [0,0,0,0,0,2|1,0,0]=3 2530 B11R1.25 CCC(C)NCc1ncco1 2230a_100000209981_103436540062 [0,0,0,0,0,2|0,1,0]=3 2531 B11R1.25 CCC(C)NCc1ncco1 2230a_100016994969_100000758301 [0,0,0,0,0,2|0,1,0]=3 2532 B11R1.25 CCC(C)NCc1ncco1 270004a_100000209981_100000064290 [0,0,0,0,0,2|0,1,0]=3 2533 B11R1.25 CCC(C)NCc1nccs1 207a_100000209981_100000750902 [0,0,0,0,0,2|0,0,0]=2 2534 B11R1.25 CCC(C)NCc1nccs1 2230a_100000209981_100015184050 [0,0,0,0,0,2|0,0,0]=2 2535 B11R1.25 CCC(C)NCc1nccs1 2230a_100000740555_100000758301 [0,0,0,0,0,2|0,0,0]=2 2536 B11R1.25 CCC(C)NCc1nccs1 270004a_100000209981_100000750902 [0,0,0,0,0,2|0,0,0]=2 2537 B11R1.25 CCC(C)NCc1nnc[nH]1 2230a_200015183720_100000758301 [0,0,0,0,0,2|2,0,0]=4 2538 B11R1.25 CCC(C)NN=C1CC=CC1 4a_100000718999_100000766571 [0,0,0,0,0,2|2,0,0]=4 2539 B11R1.25 CCC(C)OCc1ccco1 34a_100000210059_100011215416 [0,0,0,0,0,2|1,1,0]=4 2540 B11R1.25 CCC(C)OCc1cccs1 34a_100000211240_100011215416 [0,0,0,0,0,2|1,0,0]=3 2541 B11R1.25 CCC(C)OCc1ccon1 7a_100000210228_100000234950 [0,0,0,0,0,2|2,0,0]=4 2542 B11R1.25 CCC(C)OCc1cncs1 7a_100000210228_100015185245 [0,0,0,0,0,2|2,0,0]=4 2543 B11R1.25 CCC(C)OCc1cscn1 7a_100000210228_100000205941 [0,0,0,0,0,2|2,0,0]=4 2544 B11R1.25 CCC(C)OCc1ncc[nH]1 7a_100000210228_100000753453 [0,0,0,0,0,2|1,0,0]=3 2545 B11R1.25 CCC(C)OCc1ncco1 34a_100000062594_100011215416 [0,0,0,0,0,2|0,1,0]=3 2546 B11R1.25 CCC(C)OCc1ncco1 7a_100000210228_103436540062 [0,0,0,0,0,2|0,1,0]=3 2547 B11R1.25 CCC(C)OCc1nccs1 7a_100000210228_100015184050 [0,0,0,0,0,2|0,0,0]=2 2548 B11R1.25 CCC(C)OCn1cccn1 34a_100000731028_100011215416 [0,0,0,0,0,2|2,0,0]=4 2549 B11R1.25 CCC(C)SCc1c[nH]cn1 62a_100000707719_100000758301 [0,0,0,0,0,2|2,0,0]=4 2550 B11R1.25 CCC(C)SCc1c[nH]cn1 62a_100000758301_100000707719 [0,0,0,0,0,2|2,0,0]=4 2551 B11R1.25 CCC(C)SCc1ccon1 62a_100000234950_100000758301 [0,0,0,0,0,2|2,0,0]=4 2552 B11R1.25 CCC(C)SCc1ccon1 62a_100000758301_100000234950 [0,0,0,0,0,2|2,0,0]=4 2553 B11R1.25 CCC(C)SCc1cncs1 62a_100000758301_100015185245 [0,0,0,0,0,2|2,0,0]=4 2554 B11R1.25 CCC(C)SCc1cncs1 62a_100015185245_100000758301 [0,0,0,0,0,2|2,0,0]=4 2555 B11R1.25 CCC(C)SCc1cscn1 62a_100000205941_100000758301 [0,0,0,0,0,2|2,0,0]=4 2556 B11R1.25 CCC(C)SCc1cscn1 62a_100000758301_100000205941 [0,0,0,0,0,2|2,0,0]=4 2557 B11R1.25 CCC(C)SCc1ncc[nH]1 62a_100000758301_100016991755 [0,0,0,0,0,2|1,0,0]=3 2558 B11R1.25 CCC(C)SCc1ncc[nH]1 62a_100016991755_100000758301 [0,0,0,0,0,2|1,0,0]=3 2559 B11R1.25 CCC(C)SCc1ncco1 62a_100000758301_103436540062 [0,0,0,0,0,2|0,1,0]=3 2560 B11R1.25 CCC(C)SCc1ncco1 62a_103436540062_100000758301 [0,0,0,0,0,2|0,1,0]=3 2561 B11R1.25 CCC(C)SCc1nccs1 62a_100000758301_100015184050 [0,0,0,0,0,2|0,0,0]=2 2562 B11R1.25 CCC(C)SCc1nccs1 62a_100015184050_100000758301 [0,0,0,0,0,2|0,0,0]=2 2563 B11R1.25 CCC(C)SCc1ncon1 62a_100000233494_100000758301 [0,0,0,0,0,2|2,0,0]=4 2564 B11R1.25 CCC(C)SCc1ncon1 62a_100000758301_100000233494 [0,0,0,0,0,2|2,0,0]=4 2565 B11R1.25 CCC(O)CNc1ncns1 27a_100011218483_100000693119 [0,0,0,0,0,2|2,0,0]=4 2566 B11R1.25 CCC(O)CNc1nncs1 27a_100011218483_100000739804 [0,0,0,0,0,2|2,0,0]=4 2567 B11R1.25 CCC(O)CSc1cccs1 62a_100011215356_100011218378 [0,0,0,0,0,2|2,0,0]=4 2568 B11R1.25 CCC(O)CSc1cccs1 62a_100011218378_100011215356 [0,0,0,0,0,2|2,0,0]=4 2569 B11R1.25 CCC(O)CSc1ncc[nH]1 62a_100011218378_100025796157 [0,0,0,0,0,2|2,0,0]=4 2570 B11R1.25 CCC(O)CSc1ncc[nH]1 62a_100025796157_100011218378 [0,0,0,0,0,2|2,0,0]=4 2571 B11R1.25 CCC(O)CSc1ncco1 62a_100011218378_100011787736 [0,0,0,0,0,2|1,1,0]=4 2572 B11R1.25 CCC(O)CSc1ncco1 62a_100011787736_100011218378 [0,0,0,0,0,2|1,1,0]=4 2573 B11R1.25 CCC(O)CSc1nccs1 62a_100000211983_100011218378 [0,0,0,0,0,2|1,0,0]=3 2574 B11R1.25 CCC(O)CSc1nccs1 62a_100011218378_100000211983 [0,0,0,0,0,2|1,0,0]=3 2575 B11R1.25 CCC(O)CSc1ncns1 62a_100000693119_100011218378 [0,0,0,0,0,2|2,0,0]=4 2576 B11R1.25 CCC(O)CSc1ncns1 62a_100011218378_100000693119 [0,0,0,0,0,2|2,0,0]=4 2577 B11R1.25 CCC(O)CSc1nncs1 62a_100000739804_100011218378 [0,0,0,0,0,2|2,0,0]=4 2578 B11R1.25 CCC(O)CSc1nncs1 62a_100011218378_100000739804 [0,0,0,0,0,2|2,0,0]=4 2579 B11R1.25 CCN(C)CCc1cccs1 2230a_100000225621_100000748579 [0,0,0,0,0,2|2,0,0]=4 2580 B11R1.25 CCN(C)CCc1cccs1 269982a_100000225621_100000748579 [0,0,0,0,0,2|2,0,0]=4 2581 B11R1.25 CC[C@H](C)CSc1c[nH]cn1 62a_100000756875_100009816398 [0,0,0,0,0,2|2,0,0]=4 2582 B11R1.25 CC[C@H](C)CSc1c[nH]cn1 62a_100009816398_100000756875 [0,0,0,0,0,2|2,0,0]=4 2583 B11R1.25 CC[C@H](C)CSc1cc[nH]n1 62a_100000062575_100009816398 [0,0,0,0,0,2|2,0,0]=4 2584 B11R1.25 CC[C@H](C)CSc1cc[nH]n1 62a_100009816398_100000062575 [0,0,0,0,0,2|2,0,0]=4 2585 B11R1.25 CC[C@H](C)CSc1ccco1 62a_100009814098_100009816398 [0,0,0,0,0,2|1,1,0]=4 2586 B11R1.25 CC[C@H](C)CSc1ccco1 62a_100009816398_100009814098 [0,0,0,0,0,2|1,1,0]=4 2587 B11R1.25 CC[C@H](C)CSc1cccs1 62a_100009816398_100011215356 [0,0,0,0,0,2|1,0,0]=3 2588 B11R1.25 CC[C@H](C)CSc1cccs1 62a_100011215356_100009816398 [0,0,0,0,0,2|1,0,0]=3 2589 B11R1.25 CC[C@H](C)CSc1ccon1 62a_100009816398_100009818083 [0,0,0,0,0,2|2,0,0]=4 2590 B11R1.25 CC[C@H](C)CSc1ccon1 62a_100009818083_100009816398 [0,0,0,0,0,2|2,0,0]=4 2591 B11R1.25 CC[C@H](C)CSc1ccsn1 62a_100009816398_100009818082 [0,0,0,0,0,2|2,0,0]=4 2592 B11R1.25 CC[C@H](C)CSc1ccsn1 62a_100009818082_100009816398 [0,0,0,0,0,2|2,0,0]=4 2593 B11R1.25 CC[C@H](C)CSc1cncs1 62a_100009816398_100011934649 [0,0,0,0,0,2|2,0,0]=4 2594 B11R1.25 CC[C@H](C)CSc1cncs1 62a_100011934649_100009816398 [0,0,0,0,0,2|2,0,0]=4 2595 B11R1.25 CC[C@H](C)CSc1cscn1 62a_100000751502_100009816398 [0,0,0,0,0,2|2,0,0]=4 2596 B11R1.25 CC[C@H](C)CSc1cscn1 62a_100009816398_100000751502 [0,0,0,0,0,2|2,0,0]=4 2597 B11R1.25 CC[C@H](C)CSc1nc[nH]n1 62a_100000761765_100009816398 [0,0,0,0,0,2|2,0,0]=4 2598 B11R1.25 CC[C@H](C)CSc1nc[nH]n1 62a_100009816398_100000761765 [0,0,0,0,0,2|2,0,0]=4 2599 B11R1.25 CC[C@H](C)CSc1ncc[nH]1 62a_100009816398_100025796157 [0,0,0,0,0,2|1,0,0]=3 2600 B11R1.25 CC[C@H](C)CSc1ncc[nH]1 62a_100025796157_100009816398 [0,0,0,0,0,2|1,0,0]=3 2601 B11R1.25 CC[C@H](C)CSc1ncco1 62a_100009816398_100011787736 [0,0,0,0,0,2|0,1,0]=3 2602 B11R1.25 CC[C@H](C)CSc1ncco1 62a_100011787736_100009816398 [0,0,0,0,0,2|0,1,0]=3 2603 B11R1.25 CC[C@H](C)CSc1nccs1 62a_100000211983_100009816398 [0,0,0,0,0,2|0,0,0]=2 2604 B11R1.25 CC[C@H](C)CSc1nccs1 62a_100009816398_100000211983 [0,0,0,0,0,2|0,0,0]=2 2605 B11R1.25 CC[C@H](C)CSc1ncns1 62a_100000693119_100009816398 [0,0,0,0,0,2|1,0,0]=3 2606 B11R1.25 CC[C@H](C)CSc1ncns1 62a_100009816398_100000693119 [0,0,0,0,0,2|1,0,0]=3 2607 B11R1.25 CC[C@H](C)CSc1nncs1 62a_100000739804_100009816398 [0,0,0,0,0,2|1,0,0]=3 2608 B11R1.25 CC[C@H](C)CSc1nncs1 62a_100009816398_100000739804 [0,0,0,0,0,2|1,0,0]=3 2609 B11R1.25 COC(C)SCc1ncc[nH]1 62a_100009879195_100016991755 [0,0,0,0,0,2|2,0,0]=4 2610 B11R1.25 COC(C)SCc1ncc[nH]1 62a_100016991755_100009879195 [0,0,0,0,0,2|2,0,0]=4 2611 B11R1.25 COC(C)SCc1ncco1 62a_100009879195_103436540062 [0,0,0,0,0,2|1,1,0]=4 2612 B11R1.25 COC(C)SCc1ncco1 62a_103436540062_100009879195 [0,0,0,0,0,2|1,1,0]=4 2613 B11R1.25 COC(C)SCc1nccs1 62a_100009879195_100015184050 [0,0,0,0,0,2|1,0,0]=3 2614 B11R1.25 COC(C)SCc1nccs1 62a_100015184050_100009879195 [0,0,0,0,0,2|1,0,0]=3 2615 B11R1.25 CO[C@H](C)CNc1ncns1 27a_100020591295_100000693119 [0,0,0,0,0,2|2,0,0]=4 2616 B11R1.25 CO[C@H](C)CNc1nncs1 27a_100020591295_100000739804 [0,0,0,0,0,2|2,0,0]=4 2617 B11R1.25 C[C@@H](CO)CSc1cccs1 62a_100000059175_100011215356 [0,0,0,0,0,2|2,0,0]=4 2618 B11R1.25 C[C@@H](CO)CSc1cccs1 62a_100011215356_100000059175 [0,0,0,0,0,2|2,0,0]=4 2619 B11R1.25 C[C@@H](CO)CSc1ncc[nH]1 62a_100000059175_100025796157 [0,0,0,0,0,2|2,0,0]=4 2620 B11R1.25 C[C@@H](CO)CSc1ncc[nH]1 62a_100025796157_100000059175 [0,0,0,0,0,2|2,0,0]=4 2621 B11R1.25 C[C@@H](CO)CSc1ncco1 62a_100000059175_100011787736 [0,0,0,0,0,2|1,1,0]=4 2622 B11R1.25 C[C@@H](CO)CSc1ncco1 62a_100011787736_100000059175 [0,0,0,0,0,2|1,1,0]=4 2623 B11R1.25 C[C@@H](CO)CSc1nccs1 62a_100000059175_100000211983 [0,0,0,0,0,2|1,0,0]=3 2624 B11R1.25 C[C@@H](CO)CSc1nccs1 62a_100000211983_100000059175 [0,0,0,0,0,2|1,0,0]=3 2625 B11R1.25 C[C@@H](CO)CSc1ncns1 62a_100000059175_100000693119 [0,0,0,0,0,2|2,0,0]=4 2626 B11R1.25 C[C@@H](CO)CSc1ncns1 62a_100000693119_100000059175 [0,0,0,0,0,2|2,0,0]=4 2627 B11R1.25 C[C@@H](CO)CSc1nncs1 62a_100000059175_100000739804 [0,0,0,0,0,2|2,0,0]=4 2628 B11R1.25 C[C@@H](CO)CSc1nncs1 62a_100000739804_100000059175 [0,0,0,0,0,2|2,0,0]=4 2629 B11R1.25 C[C@H](CF)NCc1cccs1 207a_100102880703_100000209959 [0,0,0,0,0,2|2,0,0]=4 2630 B11R1.25 C[C@H](CF)NCc1cccs1 270004a_100102880703_100000209959 [0,0,0,0,0,2|2,0,0]=4 2631 B11R1.25 C[C@H](CF)NCc1ncc[nH]1 207a_100102880703_100000743867 [0,0,0,0,0,2|2,0,0]=4 2632 B11R1.25 C[C@H](CF)NCc1ncco1 270004a_100102880703_100000064290 [0,0,0,0,0,2|1,1,0]=4 2633 B11R1.25 C[C@H](CF)NCc1nccs1 207a_100102880703_100000750902 [0,0,0,0,0,2|1,0,0]=3 2634 B11R1.25 C[C@H](CF)NCc1nccs1 270004a_100102880703_100000750902 [0,0,0,0,0,2|1,0,0]=3 2635 B11R1.25 C[C@H](CO)NCc1cccs1 207a_100000737577_100000209959 [0,0,0,0,0,2|2,0,0]=4 2636 B11R1.25 C[C@H](CO)NCc1cccs1 270004a_100000737577_100000209959 [0,0,0,0,0,2|2,0,0]=4 2637 B11R1.25 C[C@H](CO)NCc1ncc[nH]1 207a_100000737577_100000743867 [0,0,0,0,0,2|2,0,0]=4 2638 B11R1.25 C[C@H](CO)NCc1ncc[nH]1 2230a_100000737577_100016991755 [0,0,0,0,0,2|2,0,0]=4 2639 B11R1.25 C[C@H](CO)NCc1ncco1 2230a_100000737577_103436540062 [0,0,0,0,0,2|1,1,0]=4 2640 B11R1.25 C[C@H](CO)NCc1ncco1 270004a_100000737577_100000064290 [0,0,0,0,0,2|1,1,0]=4 2641 B11R1.25 C[C@H](CO)NCc1nccs1 207a_100000737577_100000750902 [0,0,0,0,0,2|1,0,0]=3 2642 B11R1.25 C[C@H](CO)NCc1nccs1 2230a_100000737577_100015184050 [0,0,0,0,0,2|1,0,0]=3 2643 B11R1.25 C[C@H](CO)NCc1nccs1 270004a_100000737577_100000750902 [0,0,0,0,0,2|1,0,0]=3 2644 B11R1.25 C[C@H](CO)SCc1ncc[nH]1 62a_100016084084_100016991755 [0,0,0,0,0,2|2,0,0]=4 2645 B11R1.25 C[C@H](CO)SCc1ncc[nH]1 62a_100016991755_100016084084 [0,0,0,0,0,2|2,0,0]=4 2646 B11R1.25 C[C@H](CO)SCc1ncco1 62a_100016084084_103436540062 [0,0,0,0,0,2|1,1,0]=4 2647 B11R1.25 C[C@H](CO)SCc1ncco1 62a_103436540062_100016084084 [0,0,0,0,0,2|1,1,0]=4 2648 B11R1.25 C[C@H](CO)SCc1nccs1 62a_100015184050_100016084084 [0,0,0,0,0,2|1,0,0]=3 2649 B11R1.25 C[C@H](CO)SCc1nccs1 62a_100016084084_100015184050 [0,0,0,0,0,2|1,0,0]=3 2650 B11R1.25 OCC(O)CSc1nccs1 62a_100000211983_100011219619 [0,0,0,0,0,2|2,0,0]=4 2651 B11R1.25 OCC(O)CSc1nccs1 62a_100011219619_100000211983 [0,0,0,0,0,2|2,0,0]=4 2652 B11R1.25 OC[C@H](O)CSc1nccs1 62a_100000211983_100009815848 [0,0,0,0,0,2|2,0,0]=4 2653 B11R1.25 OC[C@H](O)CSc1nccs1 62a_100009815848_100000211983 [0,0,0,0,0,2|2,0,0]=4 2654 B11R1.25 O[C@@H](CF)CSc1nccs1 62a_100000211983_100015614560 [0,0,0,0,0,2|2,0,0]=4 2655 B11R1.25 O[C@@H](CF)CSc1nccs1 62a_100015614560_100000211983 [0,0,0,0,0,2|2,0,0]=4