0 B9R1.12 BrCCCc1cccs1 1P01BL7U [0,0,0,0,0,0|2,1,0]=3 1 B9R1.12 BrCCCc1cocc1 1P01BL8R [0,0,0,0,0,0|4,0,0]=4 2 B9R1.12 BrCCCc1cscc1 1P01A6PE [0,0,0,0,0,0|4,0,0]=4 3 B9R1.12 BrCCCn1cccc1 1P0003AU [0,0,0,0,0,0|4,0,0]=4 4 B9R1.12 BrCCCn1cccn1 1P0284KY [0,0,0,0,0,0|4,0,0]=4 5 B9R1.12 C#CCCc1ccco1 1P01XIDT [0,0,0,0,0,0|1,0,2]=3 6 B9R1.12 CCCCC1NCC=C1 1P00J2HL [0,0,0,0,0,0|2,0,2]=4 7 B9R1.12 CCCCc1ccco1 1P003HAJ [0,0,0,0,0,0|1,0,0]=1 8 B9R1.12 CCCCc1cccs1 1P001DL3 [0,0,0,0,0,0|1,1,0]=2 9 B9R1.12 CCCCc1cnco1 1P00556R [0,0,0,0,0,0|2,0,0]=2 10 B9R1.12 CCCCc1cscc1 1P003JMD [0,0,0,0,0,0|3,0,0]=3 11 B9R1.12 CCCCc1ncc[nH]1 1P00DCX4 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.12 CCCCn1cccn1 1P00DSOY [0,0,0,0,0,0|3,0,0]=3 13 B9R1.12 CCCCn1ccnn1 1P02876Y [0,0,0,0,0,0|4,0,0]=4 14 B9R1.12 CCCCn1cncc1 1P003ENC [0,0,0,0,0,0|4,0,0]=4 15 B9R1.12 CCCCn1nccn1 1P028JUS [0,0,0,0,0,0|4,0,0]=4 16 B9R1.12 CCNCc1ccco1 1P001KUX [0,0,0,0,0,0|1,0,0]=1 17 B9R1.12 CCNCc1ccco1 1P019NKP [0,0,0,0,0,0|1,0,0]=1 18 B9R1.12 CCNCc1cccs1 1P003TG0 [0,0,0,0,0,0|1,1,0]=2 19 B9R1.12 CCNCc1cccs1 1P019LNO [0,0,0,0,0,0|1,1,0]=2 20 B9R1.12 CCNCc1cocc1 1P01A9Y0 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.12 CCNCc1cscc1 1P027TQF [0,0,0,0,0,0|3,0,0]=3 22 B9R1.12 CCNCc1ncc[nH]1 1P021BUP [0,0,0,0,0,0|3,0,0]=3 23 B9R1.12 CCNCc1nccs1 1P01ALJ6 [0,0,0,0,0,0|2,1,0]=3 24 B9R1.12 CCOCC1CCCO1 1P003QXO [0,0,0,0,0,0|0,0,4]=4 25 B9R1.12 CCOCc1ccco1 1P0037LZ [0,0,0,0,0,0|0,0,0]=0 26 B9R1.12 CCOCc1ncc[nH]1 1P0284KD [0,0,0,0,0,0|2,0,0]=2 27 B9R1.12 CNCCc1[nH]cnc1 1P001VOS [0,0,0,0,0,0|4,0,0]=4 28 B9R1.12 CNCCc1cc[nH]n1 1P028QZ7 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.12 CNCCc1cccs1 1P0083BL [0,0,0,0,0,0|2,1,0]=3 30 B9R1.12 CNCCc1nccs1 1P01A2UB [0,0,0,0,0,0|3,1,0]=4 31 B9R1.12 CNCCn1cccn1 1P01AHTQ [0,0,0,0,0,0|4,0,0]=4 32 B9R1.12 COCCc1cccs1 1P0284DO [0,0,0,0,0,0|2,1,0]=3 33 B9R1.12 COCCn1cccn1 1P01A1WG [0,0,0,0,0,0|4,0,0]=4 34 B9R1.12 CSSCc1ccco1 1P003SGX [0,0,0,0,0,0|1,1,0]=2 35 B9R1.12 ClCC#Cc1cccs1 1P01E42F [0,0,0,0,0,0|2,1,1]=4 36 B9R1.12 ClCCCc1nnco1 1P01DVKW [0,0,0,0,0,0|4,0,0]=4 37 B9R1.12 ClCCCn1cccn1 1P00C8QV [0,0,0,0,0,0|4,0,0]=4 38 B9R1.12 ClCCCn1cccn1 1P00HISJ [0,0,0,0,0,0|4,0,0]=4 39 B9R1.12 FCCCn1cccc1 1P028IU2 [0,0,0,0,0,0|4,0,0]=4 40 B9R1.12 ICCCc1cccs1 1P01FSKP [0,0,0,0,0,0|2,1,0]=3 41 B9R1.12 N#CCCc1ccco1 1P019UDZ [0,0,0,0,0,0|2,0,1]=3 42 B9R1.12 NCCCc1cc[nH]n1 1P01B1PA [0,0,0,0,0,0|4,0,0]=4 43 B9R1.12 NCCCc1ccco1 1P00DD6T [0,0,0,0,0,0|2,0,0]=2 44 B9R1.12 NCCCc1cccs1 1P00ELTB [0,0,0,0,0,0|2,1,0]=3 45 B9R1.12 NCCCc1cocn1 1P01DWF0 [0,0,0,0,0,0|4,0,0]=4 46 B9R1.12 NCCCc1cscc1 1P01ABDM [0,0,0,0,0,0|4,0,0]=4 47 B9R1.12 NCCCc1nc[nH]c1 1P00CMFZ [0,0,0,0,0,0|4,0,0]=4 48 B9R1.12 NCCCc1ncc[nH]1 1P00I72Q [0,0,0,0,0,0|4,0,0]=4 49 B9R1.12 NCCCc1ncco1 1P028613 [0,0,0,0,0,0|3,0,0]=3 50 B9R1.12 NCCCc1nccs1 1P00EELN [0,0,0,0,0,0|3,1,0]=4 51 B9R1.12 NCCCc1nccs1 1P00J3SR [0,0,0,0,0,0|3,1,0]=4 52 B9R1.12 NCCCc1ncno1 1P01A0EM [0,0,0,0,0,0|4,0,0]=4 53 B9R1.12 NCCCc1nnco1 1P01DXQT [0,0,0,0,0,0|4,0,0]=4 54 B9R1.12 NCCCn1cccc1 1P00EEGJ [0,0,0,0,0,0|4,0,0]=4 55 B9R1.12 NCCCn1cccn1 1P005JEZ [0,0,0,0,0,0|4,0,0]=4 56 B9R1.12 NCCCn1cccn1 1P00J1KO [0,0,0,0,0,0|4,0,0]=4 57 B9R1.12 O=C=NCc1ccco1 1P00FBVQ [0,0,0,0,0,0|2,0,1]=3 58 B9R1.12 O=C=NCc1cccs1 1P00FDPX [0,0,0,0,0,0|2,1,1]=4 59 B9R1.12 O=CC=Cc1ccco1 1P00IBGZ [0,0,0,0,0,0|2,0,2]=4 60 B9R1.12 O=CCCc1ccco1 1P024Z0F [0,0,0,0,0,0|2,0,1]=3 61 B9R1.12 O=CCCc1cccs1 1P002TCP [0,0,0,0,0,0|2,1,1]=4 62 B9R1.12 O=CNCc1ccco1 1P005G3V [0,0,0,0,0,0|2,0,1]=3 63 B9R1.12 O=CSCc1ccco1 1P003R65 [0,0,0,0,0,0|1,1,1]=3 64 B9R1.12 O=C\C=C\c1ccco1 1P003CH6 [0,0,0,0,0,0|2,0,2]=4 65 B9R1.12 OCC#Cc1cccs1 1P01KCN4 [0,0,0,0,0,0|2,1,1]=4 66 B9R1.12 OCCCc1c[nH]cn1 1P00B2L0 [0,0,0,0,0,0|4,0,0]=4 67 B9R1.12 OCCCc1ccco1 1P01A4WN [0,0,0,0,0,0|2,0,0]=2 68 B9R1.12 OCCCc1cccs1 1P003II9 [0,0,0,0,0,0|2,1,0]=3 69 B9R1.12 OCCCc1cnc[nH]1 1P00DXMX [0,0,0,0,0,0|4,0,0]=4 70 B9R1.12 OCCCc1cncs1 1P01C61L [0,0,0,0,0,0|3,1,0]=4 71 B9R1.12 OCCCc1cocc1 1P01BIE2 [0,0,0,0,0,0|4,0,0]=4 72 B9R1.12 OCCCc1cscc1 1P003IJE [0,0,0,0,0,0|4,0,0]=4 73 B9R1.12 OCCCc1cscn1 1P0059GX [0,0,0,0,0,0|4,0,0]=4 74 B9R1.12 OCCCc1ncc[nH]1 1P028LAA [0,0,0,0,0,0|4,0,0]=4 75 B9R1.12 OCCCc1ncco1 1P028P3G [0,0,0,0,0,0|3,0,0]=3 76 B9R1.12 OCCCn1cccc1 1P003DDX [0,0,0,0,0,0|4,0,0]=4 77 B9R1.12 OCCCn1cccn1 1P0022R3 [0,0,0,0,0,0|4,0,0]=4 78 B9R1.12 S=C=NCc1ccco1 1P003HTA [0,0,0,0,0,0|2,0,1]=3 79 B9R1.12 S=C=NCc1cccs1 1P00CO08 [0,0,0,0,0,0|2,1,1]=4 80 B9R1.12 SCCCc1cocc1 1P028TXM [0,0,0,0,0,0|4,0,0]=4 81 B9R1.12 [N-]=[N+]=NCc1ccco1 1P027N70 [0,0,0,0,0,0|3,0,0]=3 82 B9R1.12 [N-]=[N+]=NCc1cccs1 1P019SVZ [0,0,0,0,0,0|3,1,0]=4 83 B9R1.12 [N-]=[N+]=NCc1ccno1 1P00DPHA [0,0,0,0,0,0|4,0,0]=4 84 B9R1.12 [N-]=[N+]=NCc1cnco1 1P028AU9 [0,0,0,0,0,0|4,0,0]=4 85 B9R1.12 [Pd]CC=CC1=CC=CC1 1P000X54 [0,0,0,0,0,0|3,0,1]=4 86 B8R1.8 BrCCc1cccs1 1P002TU6 [1,0,0,0,0,0|1,1,0]=3 87 B8R1.8 BrCCc1ccns1 1P01BJ4U [1,0,0,0,0,0|2,1,0]=4 88 B8R1.8 BrCCc1ccon1 1P027ZTK [1,0,0,0,0,0|3,0,0]=4 89 B8R1.8 BrCCc1cnco1 1P024SG9 [1,0,0,0,0,0|2,0,0]=3 90 B8R1.8 BrCCc1cncs1 1P01BBZH [1,0,0,0,0,0|2,1,0]=4 91 B8R1.8 BrCCc1cscc1 1P00EEU2 [1,0,0,0,0,0|3,0,0]=4 92 B8R1.8 BrCCc1cscn1 1P01FIOL [1,0,0,0,0,0|3,0,0]=4 93 B8R1.8 BrCCc1ncco1 1P027XM1 [1,0,0,0,0,0|2,0,0]=3 94 B8R1.8 BrCCn1cccc1 1P003DA3 [1,0,0,0,0,0|3,0,0]=4 95 B8R1.8 BrCCn1cccn1 1P000IZ7 [1,0,0,0,0,0|3,0,0]=4 96 B8R1.8 BrCCn1cccn1 1P01C29K [1,0,0,0,0,0|3,0,0]=4 97 B8R1.8 C(c1ccno1)C#N 1P00G5QL [1,0,0,0,0,0|2,0,1]=4 98 B8R1.8 CCCC1=NCCO1 1P003KYP [1,0,0,0,0,0|1,0,2]=4 99 B8R1.8 CCCc1c[nH]nc1 1P00I4HL [1,0,0,0,0,0|3,0,0]=4 100 B8R1.8 CCCc1cc[nH]n1 1P005UQF [1,0,0,0,0,0|2,0,0]=3 101 B8R1.8 CCCc1ccc[nH]1 1P007FSL [1,0,0,0,0,0|1,0,0]=2 102 B8R1.8 CCCc1cccs1 1P003IDK [1,0,0,0,0,0|0,1,0]=2 103 B8R1.8 CCCc1cocn1 1P023RY6 [1,0,0,0,0,0|2,0,0]=3 104 B8R1.8 CCCc1cscc1 1P003KB0 [1,0,0,0,0,0|2,0,0]=3 105 B8R1.8 CCCc1n[nH]cn1 1P00J2TN [1,0,0,0,0,0|3,0,0]=4 106 B8R1.8 CCCc1ncc[nH]1 1P003IDI [1,0,0,0,0,0|2,0,0]=3 107 B8R1.8 CCCc1nccs1 1P00250A [1,0,0,0,0,0|1,1,0]=3 108 B8R1.8 CCCc1ncn[nH]1 1P002CI3 [1,0,0,0,0,0|3,0,0]=4 109 B8R1.8 CCCn1cccn1 1P003F3X [1,0,0,0,0,0|2,0,0]=3 110 B8R1.8 CCCn1cncc1 1P0032P5 [1,0,0,0,0,0|3,0,0]=4 111 B8R1.8 CCNc1cc[nH]n1 1P02809P [1,0,0,0,0,0|3,0,0]=4 112 B8R1.8 CCNc1cscc1 1P027WY1 [1,0,0,0,0,0|3,0,0]=4 113 B8R1.8 CCNc1ncc[nH]1 1P01A1SZ [1,0,0,0,0,0|3,0,0]=4 114 B8R1.8 CCNc1nccs1 1P009VZC [1,0,0,0,0,0|2,1,0]=4 115 B8R1.8 CCNc1nccs1 1P00IGOJ [1,0,0,0,0,0|2,1,0]=4 116 B8R1.8 CCNc1nnco1 1P01BUA7 [1,0,0,0,0,0|3,0,0]=4 117 B8R1.8 CCOc1c[nH]cn1 1P027U2Z [1,0,0,0,0,0|2,0,0]=3 118 B8R1.8 CCOc1c[nH]nc1 1P0052T0 [1,0,0,0,0,0|3,0,0]=4 119 B8R1.8 CCOc1cc[nH]n1 1P00ELSD [1,0,0,0,0,0|2,0,0]=3 120 B8R1.8 CCOc1cccs1 1P01HY7F [1,0,0,0,0,0|0,1,0]=2 121 B8R1.8 CCOc1cnco1 1P001MYR [1,0,0,0,0,0|1,0,0]=2 122 B8R1.8 CCOc1cscc1 1P000BFR [1,0,0,0,0,0|2,0,0]=3 123 B8R1.8 CCOc1nc[c-]s1 1P00D8GG [1,0,0,0,0,0|1,1,1]=4 124 B8R1.8 CCOc1nccs1 1P001PGN [1,0,0,0,0,0|1,1,0]=3 125 B8R1.8 CNCc1c[nH]cn1 1P01A0V5 [1,0,0,0,0,0|3,0,0]=4 126 B8R1.8 CNCc1cc[nH]n1 1P028LFR [1,0,0,0,0,0|3,0,0]=4 127 B8R1.8 CNCc1ccc[nH]1 1P002S02 [1,0,0,0,0,0|2,0,0]=3 128 B8R1.8 CNCc1ccc[nH]1 1P027XEF [1,0,0,0,0,0|2,0,0]=3 129 B8R1.8 CNCc1ccco1 1P00D8RX [1,0,0,0,0,0|1,0,0]=2 130 B8R1.8 CNCc1cccs1 1P003TMJ [1,0,0,0,0,0|1,1,0]=3 131 B8R1.8 CNCc1cccs1 1P003TMK [1,0,0,0,0,0|1,1,0]=3 132 B8R1.8 CNCc1ccn[nH]1 1P00FB0Z [1,0,0,0,0,0|3,0,0]=4 133 B8R1.8 CNCc1ccon1 1P002ZO4 [1,0,0,0,0,0|3,0,0]=4 134 B8R1.8 CNCc1ccon1 1P008SBA [1,0,0,0,0,0|3,0,0]=4 135 B8R1.8 CNCc1cnc[nH]1 1P01DQ2Y [1,0,0,0,0,0|3,0,0]=4 136 B8R1.8 CNCc1cnco1 1P028CGH [1,0,0,0,0,0|2,0,0]=3 137 B8R1.8 CNCc1cncs1 1P00H3L5 [1,0,0,0,0,0|2,1,0]=4 138 B8R1.8 CNCc1cocc1 1P002MAS [1,0,0,0,0,0|3,0,0]=4 139 B8R1.8 CNCc1cocn1 1P027V8U [1,0,0,0,0,0|3,0,0]=4 140 B8R1.8 CNCc1cscc1 1P002LC2 [1,0,0,0,0,0|3,0,0]=4 141 B8R1.8 CNCc1cscc1 1P01EJFU [1,0,0,0,0,0|3,0,0]=4 142 B8R1.8 CNCc1cscn1 1P0081AQ [1,0,0,0,0,0|3,0,0]=4 143 B8R1.8 CNCc1ncc[nH]1 1P00DDPP [1,0,0,0,0,0|3,0,0]=4 144 B8R1.8 CNCc1ncc[nH]1 1P00J3T9 [1,0,0,0,0,0|3,0,0]=4 145 B8R1.8 CNCc1ncco1 1P027WJR [1,0,0,0,0,0|2,0,0]=3 146 B8R1.8 CNCc1nccs1 1P001JI2 [1,0,0,0,0,0|2,1,0]=4 147 B8R1.8 CNCc1nccs1 1P00J1AR [1,0,0,0,0,0|2,1,0]=4 148 B8R1.8 CNCc1ncno1 1P01A0G6 [1,0,0,0,0,0|3,0,0]=4 149 B8R1.8 CNCc1ncsc1 1P00J1AI [1,0,0,0,0,0|3,0,0]=4 150 B8R1.8 COCC1CC=CC1 1P01B5WQ [1,0,0,0,0,0|1,0,2]=4 151 B8R1.8 COCC1NCC=C1 1P028Z59 [1,0,0,0,0,0|1,0,2]=4 152 B8R1.8 COCc1c[nH]cn1 1P00IF42 [1,0,0,0,0,0|2,0,0]=3 153 B8R1.8 COCc1c[nH]nc1 1P00ILIG [1,0,0,0,0,0|3,0,0]=4 154 B8R1.8 COCc1cc[nH]n1 1P01DZQW [1,0,0,0,0,0|2,0,0]=3 155 B8R1.8 COCc1cccs1 1P001LLJ [1,0,0,0,0,0|0,1,0]=2 156 B8R1.8 COCc1ccns1 1P01FL4P [1,0,0,0,0,0|1,1,0]=3 157 B8R1.8 COCc1cncs1 1P027XKB [1,0,0,0,0,0|1,1,0]=3 158 B8R1.8 COCc1cscc1 1P028GT6 [1,0,0,0,0,0|2,0,0]=3 159 B8R1.8 COCc1ncc[nH]1 1P0008HA [1,0,0,0,0,0|2,0,0]=3 160 B8R1.8 COCc1ncn[nH]1 1P00C2HW [1,0,0,0,0,0|3,0,0]=4 161 B8R1.8 COCn1cccc1 1P00ID6X [1,0,0,0,0,0|2,0,0]=3 162 B8R1.8 COCn1cccn1 1P000NFN [1,0,0,0,0,0|2,0,0]=3 163 B8R1.8 COCn1cncc1 1P002DES [1,0,0,0,0,0|3,0,0]=4 164 B8R1.8 CSCc1cc[nH]n1 1P01CAKK [1,0,0,0,0,0|2,1,0]=4 165 B8R1.8 CSCc1ccco1 1P003R63 [1,0,0,0,0,0|0,1,0]=2 166 B8R1.8 ClCCc1c[nH]cn1 1P009I67 [1,0,0,0,0,0|3,0,0]=4 167 B8R1.8 ClCCc1cccs1 1P002CY4 [1,0,0,0,0,0|1,1,0]=3 168 B8R1.8 ClCCc1ccsn1 1P01EM7P [1,0,0,0,0,0|3,0,0]=4 169 B8R1.8 ClCCc1cnc[nH]1 1P00EG0N [1,0,0,0,0,0|3,0,0]=4 170 B8R1.8 ClCCc1cncs1 1P01AML1 [1,0,0,0,0,0|2,1,0]=4 171 B8R1.8 ClCCc1cscn1 1P00GMD7 [1,0,0,0,0,0|3,0,0]=4 172 B8R1.8 ClCCc1ncc[nH]1 1P00J37C [1,0,0,0,0,0|3,0,0]=4 173 B8R1.8 ClCCn1cccc1 1P003DAD [1,0,0,0,0,0|3,0,0]=4 174 B8R1.8 ClCCn1cccn1 1P005UFV [1,0,0,0,0,0|3,0,0]=4 175 B8R1.8 ClCCn1cccn1 1P019Z04 [1,0,0,0,0,0|3,0,0]=4 176 B8R1.8 FCCn1cccn1 1P01AP74 [1,0,0,0,0,0|3,0,0]=4 177 B8R1.8 ICCn1cccn1 1P0293GI [1,0,0,0,0,0|3,0,0]=4 178 B8R1.8 N#CCc1ccc[nH]1 1P00DYLT [1,0,0,0,0,0|2,0,1]=4 179 B8R1.8 N#CCc1ccco1 1P00BDAE [1,0,0,0,0,0|1,0,1]=3 180 B8R1.8 N#CCc1cccs1 1P002KFF [1,0,0,0,0,0|1,1,1]=4 181 B8R1.8 N#CCc1ncco1 1P0050ZU [1,0,0,0,0,0|2,0,1]=4 182 B8R1.8 NCCc1[nH]cnc1 1P002N9R [1,0,0,0,0,0|3,0,0]=4 183 B8R1.8 NCCc1c[nH]cc1 1P01BBDB [1,0,0,0,0,0|3,0,0]=4 184 B8R1.8 NCCc1c[nH]cn1 1P0037UP [1,0,0,0,0,0|3,0,0]=4 185 B8R1.8 NCCc1cc[nH]n1 1P0085RD [1,0,0,0,0,0|3,0,0]=4 186 B8R1.8 NCCc1cc[nH]n1 1P009FIS [1,0,0,0,0,0|3,0,0]=4 187 B8R1.8 NCCc1ccc[nH]1 1P003F9F [1,0,0,0,0,0|2,0,0]=3 188 B8R1.8 NCCc1ccco1 1P003HT8 [1,0,0,0,0,0|1,0,0]=2 189 B8R1.8 NCCc1ccco1 1P00J3S8 [1,0,0,0,0,0|1,0,0]=2 190 B8R1.8 NCCc1cccs1 1P0030KO [1,0,0,0,0,0|1,1,0]=3 191 B8R1.8 NCCc1ccno1 1P01BRWE [1,0,0,0,0,0|2,0,0]=3 192 B8R1.8 NCCc1ccno1 1P0286ZF [1,0,0,0,0,0|2,0,0]=3 193 B8R1.8 NCCc1ccon1 1P01A2VX [1,0,0,0,0,0|3,0,0]=4 194 B8R1.8 NCCc1cocc1 1P01ADC8 [1,0,0,0,0,0|3,0,0]=4 195 B8R1.8 NCCc1cocc1 1P01B713 [1,0,0,0,0,0|3,0,0]=4 196 B8R1.8 NCCc1cscc1 1P0038IN [1,0,0,0,0,0|3,0,0]=4 197 B8R1.8 NCCc1cscc1 1P00EA5P [1,0,0,0,0,0|3,0,0]=4 198 B8R1.8 NCCc1cscn1 1P008NUY [1,0,0,0,0,0|3,0,0]=4 199 B8R1.8 NCCc1nc[nH]c1 1P0035GO [1,0,0,0,0,0|3,0,0]=4 200 B8R1.8 NCCc1nc[nH]c1 1P003REF [1,0,0,0,0,0|3,0,0]=4 201 B8R1.8 NCCc1ncc[nH]1 1P00I025 [1,0,0,0,0,0|3,0,0]=4 202 B8R1.8 NCCc1ncco1 1P0284E7 [1,0,0,0,0,0|2,0,0]=3 203 B8R1.8 NCCc1nccs1 1P003AOM [1,0,0,0,0,0|2,1,0]=4 204 B8R1.8 NCCc1nccs1 1P0075VS [1,0,0,0,0,0|2,1,0]=4 205 B8R1.8 NCCc1ncno1 1P00KCRN [1,0,0,0,0,0|3,0,0]=4 206 B8R1.8 NCCc1ncoc1 1P024XO7 [1,0,0,0,0,0|3,0,0]=4 207 B8R1.8 NCCc1ncoc1 1P028SJK [1,0,0,0,0,0|3,0,0]=4 208 B8R1.8 NCCc1ncsc1 1P00G8VN [1,0,0,0,0,0|3,0,0]=4 209 B8R1.8 NCCc1ocnc1 1P028E9Y [1,0,0,0,0,0|2,0,0]=3 210 B8R1.8 NCCc1scnc1 1P00G9Z1 [1,0,0,0,0,0|2,1,0]=4 211 B8R1.8 NCCn1cccc1 1P002ZMK [1,0,0,0,0,0|3,0,0]=4 212 B8R1.8 NCCn1cccn1 1P0004UZ [1,0,0,0,0,0|3,0,0]=4 213 B8R1.8 NCCn1cccn1 1P00J1AE [1,0,0,0,0,0|3,0,0]=4 214 B8R1.8 NNCc1cccs1 1P00J317 [1,0,0,0,0,0|2,1,0]=4 215 B8R1.8 NOCc1cccs1 1P01P0SG [1,0,0,0,0,0|1,1,0]=3 216 B8R1.8 O=C=Nc1ccco1 1P005XGA [1,0,0,0,0,0|2,0,1]=4 217 B8R1.8 O=CCc1cccs1 1P00AD6S [1,0,0,0,0,0|1,1,1]=4 218 B8R1.8 OCCc1cc[nH]n1 1P00CLE0 [1,0,0,0,0,0|3,0,0]=4 219 B8R1.8 OCCc1ccc[nH]1 1P006ZXJ [1,0,0,0,0,0|2,0,0]=3 220 B8R1.8 OCCc1ccco1 1P00BZB3 [1,0,0,0,0,0|1,0,0]=2 221 B8R1.8 OCCc1cccs1 1P0033WO [1,0,0,0,0,0|1,1,0]=3 222 B8R1.8 OCCc1ccsn1 1P0290FH [1,0,0,0,0,0|3,0,0]=4 223 B8R1.8 OCCc1cnc[nH]1 1P0022DH [1,0,0,0,0,0|3,0,0]=4 224 B8R1.8 OCCc1cnc[nH]1 1P004IMT [1,0,0,0,0,0|3,0,0]=4 225 B8R1.8 OCCc1cnco1 1P028VU5 [1,0,0,0,0,0|2,0,0]=3 226 B8R1.8 OCCc1cncs1 1P01B9DR [1,0,0,0,0,0|2,1,0]=4 227 B8R1.8 OCCc1cocc1 1P0037R8 [1,0,0,0,0,0|3,0,0]=4 228 B8R1.8 OCCc1cscc1 1P0014C9 [1,0,0,0,0,0|3,0,0]=4 229 B8R1.8 OCCc1cscn1 1P028C5K [1,0,0,0,0,0|3,0,0]=4 230 B8R1.8 OCCc1ncc[nH]1 1P003F8Q [1,0,0,0,0,0|3,0,0]=4 231 B8R1.8 OCCc1ncc[nH]1 1P0281JM [1,0,0,0,0,0|3,0,0]=4 232 B8R1.8 OCCc1ncco1 1P02817S [1,0,0,0,0,0|2,0,0]=3 233 B8R1.8 OCCc1nccs1 1P0040AO [1,0,0,0,0,0|2,1,0]=4 234 B8R1.8 OCCn1cccc1 1P003DBI [1,0,0,0,0,0|3,0,0]=4 235 B8R1.8 OCCn1cccn1 1P0033B0 [1,0,0,0,0,0|3,0,0]=4 236 B8R1.8 SCCc1ccco1 1P01HNHQ [1,0,0,0,0,0|1,0,0]=2 237 B8R1.8 SCCc1cccs1 1P01HCS8 [1,0,0,0,0,0|1,1,0]=3 238 B8R1.8 SCCc1cscc1 1P028DTF [1,0,0,0,0,0|3,0,0]=4 239 B8R1.8 SCCn1cccn1 1P019UID [1,0,0,0,0,0|3,0,0]=4 240 B8R1.8 [C-]#[N+]Cc1cccs1 1P028JRQ [1,0,0,0,0,0|1,1,1]=4 241 B10R1.11 C=CCC(c1ccco1)O 1P00EE7O [0,1,0,0,0,0|1,0,2]=4 242 B10R1.11 CCCC(=O)c1ccco1 1P003DB6 [0,1,0,0,0,0|1,0,1]=3 243 B10R1.11 CCCC(=O)c1cccs1 1P003I8J [0,1,0,0,0,0|1,1,1]=4 244 B10R1.11 CCCC(c1ccco1)N 1P01ATAY [0,1,0,0,0,0|1,0,0]=2 245 B10R1.11 CCCC(c1cccs1)N 1P00DD2X [0,1,0,0,0,0|1,1,0]=3 246 B10R1.11 CCCC(c1cccs1)N 1P00J2EV [0,1,0,0,0,0|1,1,0]=3 247 B10R1.11 CCCC(c1cccs1)O 1P01EUTS [0,1,0,0,0,0|1,1,0]=3 248 B10R1.11 CCCC(c1nccs1)O 1P01EMVF [0,1,0,0,0,0|2,1,0]=4 249 B10R1.11 CCNC(=O)c1ccc[nH]1 1P001PFF [0,1,0,0,0,0|2,0,1]=4 250 B10R1.11 CCOC(=N)c1cccs1 1P00IA7Z [0,1,0,0,0,0|0,1,1]=3 251 B10R1.11 CCOC(=O)c1c[nH]cc1 1P00BY7A [0,1,0,0,0,0|2,0,1]=4 252 B10R1.11 CCOC(=O)c1cc[nH]n1 1P002LCF [0,1,0,0,0,0|2,0,1]=4 253 B10R1.11 CCOC(=O)c1ccc[nH]1 1P003QHF [0,1,0,0,0,0|1,0,1]=3 254 B10R1.11 CCOC(=O)c1ccco1 1P003QKU [0,1,0,0,0,0|0,0,1]=2 255 B10R1.11 CCOC(=O)c1cccs1 1P003QM3 [0,1,0,0,0,0|0,1,1]=3 256 B10R1.11 CCOC(=O)c1ccno1 1P001ZOT [0,1,0,0,0,0|1,0,1]=3 257 B10R1.11 CCOC(=O)c1ccon1 1P00C75R [0,1,0,0,0,0|2,0,1]=4 258 B10R1.11 CCOC(=O)c1cnc[nH]1 1P00BCEJ [0,1,0,0,0,0|2,0,1]=4 259 B10R1.11 CCOC(=O)c1cnco1 1P003QX0 [0,1,0,0,0,0|1,0,1]=3 260 B10R1.11 CCOC(=O)c1cncs1 1P007ITV [0,1,0,0,0,0|1,1,1]=4 261 B10R1.11 CCOC(=O)c1cncs1 1P01EKJQ [0,1,0,0,0,0|1,1,1]=4 262 B10R1.11 CCOC(=O)c1cocc1 1P00EADQ [0,1,0,0,0,0|2,0,1]=4 263 B10R1.11 CCOC(=O)c1cocn1 1P002MBM [0,1,0,0,0,0|2,0,1]=4 264 B10R1.11 CCOC(=O)c1cscc1 1P003QXR [0,1,0,0,0,0|2,0,1]=4 265 B10R1.11 CCOC(=O)c1cscn1 1P001L75 [0,1,0,0,0,0|2,0,1]=4 266 B10R1.11 CCOC(=O)c1ncc[nH]1 1P003QW4 [0,1,0,0,0,0|2,0,1]=4 267 B10R1.11 CCOC(=O)c1ncco1 1P0037UB [0,1,0,0,0,0|1,0,1]=3 268 B10R1.11 CCOC(=O)c1nccs1 1P001L76 [0,1,0,0,0,0|1,1,1]=4 269 B10R1.11 CCOC(c1c[nH]nc1)C 1P028LQO [0,1,0,0,0,0|3,0,0]=4 270 B10R1.11 CCOC(c1ncc[nH]1)C 1P019SNT [0,1,0,0,0,0|2,0,0]=3 271 B10R1.11 CCOC(n1cccn1)C 1P002WXV [0,1,0,0,0,0|2,0,0]=3 272 B10R1.11 CNCC(c1cccs1)O 1P00PKD6 [0,1,0,0,0,0|2,1,0]=4 273 B10R1.11 COCC(=O)c1ccco1 1P01B9BG [0,1,0,0,0,0|2,0,1]=4 274 B10R1.11 COCC(c1ccco1)N 1P019TYB [0,1,0,0,0,0|2,0,0]=3 275 B10R1.11 CONC(c1cccs1)C 1P01ANWY [0,1,0,0,0,0|2,1,0]=4 276 B10R1.11 N#CCC(c1ccco1)O 1P01BNU5 [0,1,0,0,0,0|2,0,1]=4 277 B10R1.11 NCCC(c1cccs1)O 1P0193H3 [0,1,0,0,0,0|2,1,0]=4 278 B10R1.11 OCCC(c1ccco1)N 1P019ZEL [0,1,0,0,0,0|2,0,0]=3 279 B10R1.11 OCCC(c1cccs1)N 1P00FI10 [0,1,0,0,0,0|2,1,0]=4 280 B10R1.16 CCCCc1cc([nH]n1)N 1P00ESPQ [0,1,0,0,0,0|3,0,0]=4 281 B10R1.16 CCCCc1cc(on1)N 1P01AA3S [0,1,0,0,0,0|3,0,0]=4 282 B10R1.16 CCCCc1nnc(o1)N 1P00DGWM [0,1,0,0,0,0|3,0,0]=4 283 B10R1.16 CCNCc1ccc(o1)C 1P00J2EX [0,1,0,0,0,0|1,0,0]=2 284 B10R1.16 CCNCc1ccc(s1)Br 1P00IE14 [0,1,0,0,0,0|1,1,0]=3 285 B10R1.16 CCNCc1ccc(s1)Br 1P028SU1 [0,1,0,0,0,0|1,1,0]=3 286 B10R1.16 CCNCc1ccc(s1)Cl 1P00IE0B [0,1,0,0,0,0|1,1,0]=3 287 B10R1.16 CCNCc1cnc(s1)Cl 1P008V8H [0,1,0,0,0,0|2,1,0]=4 288 B10R1.16 CCNCc1onc(n1)C 1P007VLO [0,1,0,0,0,0|3,0,0]=4 289 B10R1.16 CCOCc1cc(cs1)Br 1P00HBAW [0,1,0,0,0,0|0,1,0]=2 290 B10R1.16 CCOCc1csc(n1)N 1P00Q78O [0,1,0,0,0,0|2,0,0]=3 291 B10R1.16 CCOCc1nnc(o1)N 1P018ND4 [0,1,0,0,0,0|2,0,0]=3 292 B10R1.16 CCOCc1nnc(s1)Br 1P028JJF [0,1,0,0,0,0|2,1,0]=4 293 B10R1.16 CCOCc1nnc(s1)N 1P00ADKZ [0,1,0,0,0,0|2,1,0]=4 294 B10R1.16 CCOCn1cc(cn1)N 1P00JF4G [0,1,0,0,0,0|2,0,0]=3 295 B10R1.16 COCCc1cc(no1)N 1P028HI2 [0,1,0,0,0,0|3,0,0]=4 296 B10R1.16 COCCc1ccc(s1)Br 1P028LX1 [0,1,0,0,0,0|2,1,0]=4 297 B10R1.16 CONCc1ccc(o1)C 1P01C0UN [0,1,0,0,0,0|2,0,0]=3 298 B10R1.16 Cc1cc(on1)CCCCl 1P000VFE [0,1,0,0,0,0|3,0,0]=4 299 B10R1.16 Cc1cc(on1)CCCN 1P028WEJ [0,1,0,0,0,0|3,0,0]=4 300 B10R1.16 Cc1cc(on1)CCCO 1P0084NC [0,1,0,0,0,0|3,0,0]=4 301 B10R1.16 Cc1ccc(o1)CCC=O 1P007D0Q [0,1,0,0,0,0|2,0,1]=4 302 B10R1.16 Cc1ccc(s1)CCCN 1P00016G [0,1,0,0,0,0|2,1,0]=4 303 B10R1.16 NCCCc1cc(no1)O 1P01FIBF [0,1,0,0,0,0|3,0,0]=4 304 B10R1.16 NCCCc1ccc(s1)Cl 1P01B1O7 [0,1,0,0,0,0|2,1,0]=4 305 B10R1.16 NCCCc1ccc(s1)Cl 1P027WSC [0,1,0,0,0,0|2,1,0]=4 306 B10R1.16 OCCCc1cc(cs1)Br 1P01BC6P [0,1,0,0,0,0|2,1,0]=4 307 B10R1.16 [N-]=[N+]=NCc1ccc(o1)C 1P01A2XZ [0,1,0,0,0,0|3,0,0]=4 308 B10R1.21 C#CCNCc1ccco1 1P009PJT [0,1,0,0,0,0|1,0,1]=3 309 B10R1.21 C#CCOCc1nccs1 1P027V6O [0,1,0,0,0,0|1,1,1]=4 310 B10R1.21 C=CCNCc1cccs1 1P00JU44 [0,1,0,0,0,0|1,1,1]=4 311 B10R1.21 CCCCCc1ccco1 1P003IAW [0,1,0,0,0,0|1,0,0]=2 312 B10R1.21 CCCCCc1cccs1 1P003BQ3 [0,1,0,0,0,0|1,1,0]=3 313 B10R1.21 CCCNCc1ccco1 1P00C926 [0,1,0,0,0,0|1,0,0]=2 314 B10R1.21 CCCNCc1cscc1 1P00J4JU [0,1,0,0,0,0|3,0,0]=4 315 B10R1.21 CCNCCc1cccs1 1P019MCF [0,1,0,0,0,0|1,1,0]=3 316 B10R1.21 CCNCCc1nccs1 1P01A2XJ [0,1,0,0,0,0|2,1,0]=4 317 B10R1.21 CCNCCn1cccn1 1P003TG6 [0,1,0,0,0,0|3,0,0]=4 318 B10R1.21 CNCCCc1ccco1 1P001ZKU [0,1,0,0,0,0|1,0,0]=2 319 B10R1.21 CNCCCn1cccn1 1P00037Z [0,1,0,0,0,0|3,0,0]=4 320 B10R1.21 ClCCNCc1cccs1 1P027UDL [0,1,0,0,0,0|1,1,0]=3 321 B10R1.21 N#CCSCc1ccco1 1P019IUJ [0,1,0,0,0,0|0,1,1]=3 322 B10R1.21 NCCCCc1c[nH]cn1 1P028BZZ [0,1,0,0,0,0|3,0,0]=4 323 B10R1.21 NCCCCc1cccs1 1P028R9O [0,1,0,0,0,0|1,1,0]=3 324 B10R1.21 NCCCCc1ncc[nH]1 1P01AMSS [0,1,0,0,0,0|3,0,0]=4 325 B10R1.21 NCCCCc1nccs1 1P01AAIJ [0,1,0,0,0,0|2,1,0]=4 326 B10R1.21 NCCSCc1ccco1 1P007AJD [0,1,0,0,0,0|0,1,0]=2 327 B10R1.21 NCCSCc1cscc1 1P019P7M [0,1,0,0,0,0|2,1,0]=4 328 B10R1.21 NCCSCc1cscc1 1P019Y7Y [0,1,0,0,0,0|2,1,0]=4 329 B10R1.21 O=C=NCCc1ccco1 1P01AL6V [0,1,0,0,0,0|2,0,1]=4 330 B10R1.21 OCCCCc1nccs1 1P01B9VS [0,1,0,0,0,0|2,1,0]=4 331 B10R1.21 OCCNCc1ccco1 1P00DD4H [0,1,0,0,0,0|1,0,0]=2 332 B10R1.21 OCCNCc1cccs1 1P006GE7 [0,1,0,0,0,0|1,1,0]=3 333 B10R1.21 OCCNCc1cscc1 1P01A8LS [0,1,0,0,0,0|3,0,0]=4 334 B10R1.21 OCCSCc1ccno1 1P028QQF [0,1,0,0,0,0|1,1,0]=3 335 B10R1.21 OCCSCc1nccs1 1P01BV4O [0,1,0,0,0,0|1,2,0]=4 336 B10R1.21 SCCNCc1ccco1 1P01BFVD [0,1,0,0,0,0|1,0,0]=2 337 B10R1.27 CCC(=O)Cc1ccco1 1P00C8VQ [0,1,0,0,0,0|1,0,0]=2 338 B10R1.27 CCC(=O)Cc1cccs1 1P01ABJV [0,1,0,0,0,0|1,1,0]=3 339 B10R1.27 CCC(Cc1c[nH]cc1)N 1P027Z2R [0,1,0,0,0,0|3,0,0]=4 340 B10R1.27 CCC(Cc1cccs1)Cl 1P01BYDP [0,1,0,0,0,0|1,1,0]=3 341 B10R1.27 COC(=O)Cc1ccc[nH]1 1P01GFU2 [0,1,0,0,0,0|3,0,0]=4 342 B10R1.27 COC(=O)Cc1cccs1 1P003S5W [0,1,0,0,0,0|2,1,0]=4 343 B10R1.27 COC(=O)Cc1cnco1 1P01PZ6T [0,1,0,0,0,0|3,0,0]=4 344 B10R1.27 NCC(Cc1cccs1)C 1P019Q9M [0,1,0,0,0,0|2,1,0]=4 345 B10R1.27 OCC(Cc1ccco1)N 1P028BPO [0,1,0,0,0,0|2,0,0]=3 346 B10R1.27 OCC(Cc1cccs1)N 1P01EMU8 [0,1,0,0,0,0|2,1,0]=4 347 B10R1.29 CCCCc1ccsc1Br 1P001DN5 [0,1,0,0,0,0|3,0,0]=4 348 B10R1.29 CCCCc1ccsc1I 1P028L1P [0,1,0,0,0,0|3,0,0]=4 349 B10R1.29 CCCCn1nccc1N 1P00BZMX [0,1,0,0,0,0|3,0,0]=4 350 B10R1.29 CCNCc1cncn1C 1P01DVUP [0,1,0,0,0,0|3,0,0]=4 351 B10R1.29 CCNCc1nccn1C 1P00EC9R [0,1,0,0,0,0|3,0,0]=4 352 B10R1.29 CCNCc1occc1C 1P01C3KN [0,1,0,0,0,0|1,0,0]=2 353 B10R1.66 CC(=O)C=Cc1ccco1 1P00CMZ2 [0,1,0,0,0,0|1,0,2]=4 354 B10R1.66 CC(=O)CCc1ccco1 1P00667T [0,1,0,0,0,0|1,0,1]=3 355 B10R1.66 CC(=O)NCc1ccco1 1P00J0T7 [0,1,0,0,0,0|1,0,1]=3 356 B10R1.66 CC(=O)NCc1cccs1 1P00CBVA [0,1,0,0,0,0|1,1,1]=4 357 B10R1.66 CC(=O)OC=C1C=CC=C1 1P01DQRM [0,1,0,0,0,0|1,0,2]=4 358 B10R1.66 CC(=O)OCc1ccco1 1P003R5Z [0,1,0,0,0,0|0,0,1]=2 359 B10R1.66 CC(=O)SCc1ccco1 1P0012TI [0,1,0,0,0,0|0,1,1]=3 360 B10R1.66 CC(=O)\C=C\c1ccco1 1P003KGG [0,1,0,0,0,0|1,0,2]=4 361 B10R1.66 CC(=S)OCc1ccco1 1P020IQY [0,1,0,0,0,0|0,0,1]=2 362 B10R1.66 CC(CCc1ccco1)N 1P005SKI [0,1,0,0,0,0|1,0,0]=2 363 B10R1.66 CC(CCn1cccn1)N 1P006CY1 [0,1,0,0,0,0|3,0,0]=4 364 B10R1.66 CC(CCn1cccn1)O 1P01A5F5 [0,1,0,0,0,0|3,0,0]=4 365 B10R1.66 CC(NCc1ccco1)C 1P00APVX [0,1,0,0,0,0|1,0,0]=2 366 B10R1.66 CC(NCc1cccs1)C 1P00JTSQ [0,1,0,0,0,0|1,1,0]=3 367 B10R1.66 CC(NCc1ncc[nH]1)C 1P00JDJ6 [0,1,0,0,0,0|3,0,0]=4 368 B10R1.66 CC(SCc1ccco1)C 1P002HAE [0,1,0,0,0,0|0,1,0]=2 369 B10R1.66 CN(N=Cc1ccco1)C 1P001D2F [0,1,0,0,0,0|2,0,1]=4 370 B10R1.66 NC(=N)NCc1ccco1 1P01EKJD [0,1,0,0,0,0|2,0,1]=4 371 B10R1.66 NC(=O)NCc1ccco1 1P00EWL0 [0,1,0,0,0,0|2,0,1]=4 372 B10R1.66 NC(=S)NCc1ccco1 1P00E9TM [0,1,0,0,0,0|2,0,1]=4 373 B10R1.66 OC(=O)CCc1ccco1 1P0033XL [0,1,0,0,0,0|2,0,1]=4 374 B8R0.1 CCCCC(=O)CC=C 1P01EMHF [0,0,1,0,0,0|1,0,2]=4 375 B8R0.1 CCOCC(=O)OCC 1P008LVN [0,0,1,0,0,0|1,0,2]=4 376 B8R0.4 CCCC=CC=CCO 1P0069DV [0,0,1,0,0,0|1,0,2]=4 377 B8R0.4 CCCCCC=CC=O 1P002OF1 [0,0,1,0,0,0|1,0,2]=4 378 B8R0.4 CCCCC\C=C\C=O 1P003CH1 [0,0,1,0,0,0|1,0,2]=4 379 B8R0.4 CCCCC\C=C\CO 1P003VDB [0,0,1,0,0,0|1,0,2]=4 380 B8R0.4 CCCC\C=C/CCO 1P002DRC [0,0,1,0,0,0|1,0,2]=4 381 B8R0.4 CCC\C=C\C=C\C=O 1P0030BR [0,0,1,0,0,0|1,0,2]=4 382 B8R0.4 CCC\C=C\C=C\CO 1P00AQC5 [0,0,1,0,0,0|1,0,2]=4 383 B8R0.4 CCOCCOCC=O 1P01B6Z8 [0,0,1,0,0,0|1,0,2]=4 384 B10R2.5 CC1CC1c2ccco2 1P019PA5 [0,0,0,1,0,0|1,0,0]=2 385 B10R2.5 N[C@@H]1C[C@H]1c2ccco2 1P0280KE [0,0,0,1,0,0|2,0,0]=3 386 B10R2.7 C1CCc2c(C1)[nH]cc2 1P009BUI [0,0,0,1,0,0|2,0,0]=3 387 B10R2.7 C1CCc2c(C1)[nH]cn2 1P00C7N4 [0,0,0,1,0,0|3,0,0]=4 388 B10R2.7 C1CCc2c(C1)[nH]cn2 1P028DD0 [0,0,0,1,0,0|3,0,0]=4 389 B10R2.7 C1CCc2c(C1)[nH]nc2 1P002MH0 [0,0,0,1,0,0|3,0,0]=4 390 B10R2.7 C1CCc2c(C1)c[nH]c2 1P00DMK0 [0,0,0,1,0,0|3,0,0]=4 391 B10R2.7 C1CCc2c(C1)scc2 1P000WBZ [0,0,0,1,0,0|1,1,0]=3 392 B10R2.7 C1CCc2n(C1)ccn2 1P00CMI9 [0,0,0,1,0,0|3,0,0]=4 393 B10R2.7 C1CCc2n(C1)cnc2 1P00BZ0V [0,0,0,1,0,0|3,0,0]=4 394 B10R2.7 C1CCc2n(C1)ncc2 1P002FA6 [0,0,0,1,0,0|3,0,0]=4 395 B10R2.7 C1NCc2c(C1)[nH]cc2 1P003KXP [0,0,0,1,0,0|3,0,0]=4 396 B10R2.7 C1NCc2c(C1)[nH]cc2 1P00VVZC [0,0,0,1,0,0|3,0,0]=4 397 B10R2.7 C1NCc2c(C1)[nH]cn2 1P006H7M [0,0,0,1,0,0|3,0,0]=4 398 B10R2.7 C1NCc2c(C1)cc[nH]2 1P01Z9P2 [0,0,0,1,0,0|2,0,0]=3 399 B10R2.7 C1NCc2c(C1)cco2 1P023ZL7 [0,0,0,1,0,0|1,0,0]=2 400 B10R2.7 C1NCc2c(C1)ccs2 1P002WWA [0,0,0,1,0,0|1,1,0]=3 401 B10R2.7 C1NCc2c(C1)ccs2 1P00EGBJ [0,0,0,1,0,0|1,1,0]=3 402 B10R2.7 C1NCc2c(C1)cn[nH]2 1P004TQ5 [0,0,0,1,0,0|3,0,0]=4 403 B10R2.7 C1NCc2c(C1)cn[nH]2 1P0096ZI [0,0,0,1,0,0|3,0,0]=4 404 B10R2.7 C1NCc2c(C1)cn[nH]2 1P00GW6D [0,0,0,1,0,0|3,0,0]=4 405 B10R2.7 C1NCc2c(C1)cno2 1P028H96 [0,0,0,1,0,0|2,0,0]=3 406 B10R2.7 C1NCc2c(C1)nc[nH]2 1P0036RG [0,0,0,1,0,0|3,0,0]=4 407 B10R2.7 C1NCc2c(C1)nc[nH]2 1P003KXO [0,0,0,1,0,0|3,0,0]=4 408 B10R2.7 C1NCc2c(C1)nc[nH]2 1P01KKTU [0,0,0,1,0,0|3,0,0]=4 409 B10R2.7 C1NCc2c(C1)ncs2 1P000M3J [0,0,0,1,0,0|2,1,0]=4 410 B10R2.7 C1NCc2c(C1)ncs2 1P001WVW [0,0,0,1,0,0|2,1,0]=4 411 B10R2.7 C1NCc2c(C1)ncs2 1P01AGLU [0,0,0,1,0,0|2,1,0]=4 412 B10R2.7 C1NCc2c(C1)occ2 1P001MZ7 [0,0,0,1,0,0|2,0,0]=3 413 B10R2.7 C1NCc2c(C1)ocn2 1P02747N [0,0,0,1,0,0|3,0,0]=4 414 B10R2.7 C1NCc2c(C1)onc2 1P01ARPJ [0,0,0,1,0,0|3,0,0]=4 415 B10R2.7 C1NCc2c(C1)scc2 1P002WW9 [0,0,0,1,0,0|2,1,0]=4 416 B10R2.7 C1NCc2c(C1)scc2 1P00IA9K [0,0,0,1,0,0|2,1,0]=4 417 B10R2.7 C1OCc2c(C1)[nH]nc2 1P019E2K [0,0,0,1,0,0|3,0,0]=4 418 B10R2.7 C1OCc2c(C1)[nH]nc2 1P01APHE [0,0,0,1,0,0|3,0,0]=4 419 B10R2.7 C1OCc2c(C1)c[nH]n2 1P01FLFD [0,0,0,1,0,0|2,0,0]=3 420 B10R2.7 C1OCc2c(C1)c[nH]n2 1P01RGG1 [0,0,0,1,0,0|2,0,0]=3 421 B10R2.7 C1OCc2c(C1)ncs2 1P00BU5D [0,0,0,1,0,0|1,1,0]=3 422 B10R2.7 C1OCc2c(C1)scc2 1P018HW3 [0,0,0,1,0,0|2,0,0]=3 423 B10R2.7 N1CCn2c(C1)ccc2 1P003A25 [0,0,0,1,0,0|2,0,0]=3 424 B10R2.7 N1CCn2c(C1)ccc2 1P00J3IK [0,0,0,1,0,0|2,0,0]=3 425 B10R2.7 N1CCn2c(C1)ccn2 1P001WV6 [0,0,0,1,0,0|3,0,0]=4 426 B10R2.7 N1CCn2c(C1)ccn2 1P008N37 [0,0,0,1,0,0|3,0,0]=4 427 B10R2.7 N1CCn2c(C1)ccn2 1P00ILGX [0,0,0,1,0,0|3,0,0]=4 428 B10R2.7 N1CCn2c(C1)cnc2 1P001WV4 [0,0,0,1,0,0|3,0,0]=4 429 B10R2.7 N1CCn2c(C1)cnc2 1P002ZO2 [0,0,0,1,0,0|3,0,0]=4 430 B10R2.7 N1CCn2c(C1)cnc2 1P003MPX [0,0,0,1,0,0|3,0,0]=4 431 B10R2.7 N1CCn2c(C1)ncc2 1P003MPW [0,0,0,1,0,0|3,0,0]=4 432 B10R2.7 N1CCn2c(C1)ncc2 1P008ZKI [0,0,0,1,0,0|3,0,0]=4 433 B10R2.7 N1CCn2c(C1)ncc2 1P00FGRN [0,0,0,1,0,0|3,0,0]=4 434 B10R2.7 O1CCn2c(C1)ncc2 1P01BCN2 [0,0,0,1,0,0|2,0,0]=3 435 B10R2.136 C1CC(C1)c2cc[nH]n2 1P00707N [0,0,0,1,0,0|3,0,0]=4 436 B10R2.136 C1CC(C1)c2cccs2 1P028TM9 [0,0,0,1,0,0|1,1,0]=3 437 B10R2.136 C1CC(C1)c2nc[nH]c2 1P028MHP [0,0,0,1,0,0|3,0,0]=4 438 B10R2.136 C1CC(C1)c2ncc[nH]2 1P003HL6 [0,0,0,1,0,0|3,0,0]=4 439 B10R2.136 C1CC(C1)c2ncco2 1P01BZSX [0,0,0,1,0,0|2,0,0]=3 440 B10R2.136 C1CC(C1)c2ncoc2 1P02913T [0,0,0,1,0,0|3,0,0]=4 441 B10R2.136 C1CC(C1)c2ocnc2 1P01EJ6U [0,0,0,1,0,0|2,0,0]=3 442 B10R2.136 C1CC(C1)n2cccn2 1P00HFCU [0,0,0,1,0,0|3,0,0]=4 443 B10R2.136 N1CC(C1)c2ncco2 1P027Z5D [0,0,0,1,0,0|3,0,0]=4 444 B10R2.136 N1CC(C1)c2ocnc2 1P027YH1 [0,0,0,1,0,0|3,0,0]=4 445 B10R2.193 c1cnn(c1)CC2CC2 1P009X3Q [0,0,0,1,0,0|3,0,0]=4 446 B10R2.483 C1NCC2(C1)C=CCO2 1P02931D [0,0,0,1,0,0|1,0,2]=4 447 B10R2.483 C1NCC2(C1)C=CCO2 1P0293OC [0,0,0,1,0,0|1,0,2]=4 448 B10R1.17 BrCCCc1ccccc1 1P003EL3 [0,0,0,0,0,1|3,0,0]=4 449 B10R1.17 BrCCCc1cccnc1 1P00C9QQ [0,0,0,0,0,1|3,0,0]=4 450 B10R1.17 BrCCCc1ccncc1 1P01A6KW [0,0,0,0,0,1|3,0,0]=4 451 B10R1.17 BrCOCc1ccccc1 1P0025GN [0,0,0,0,0,1|2,0,0]=3 452 B10R1.17 C=COCc1ccccc1 1P003AEJ [0,0,0,0,0,1|1,0,2]=4 453 B10R1.17 C=NOCc1ccccc1 1P027KVW [0,0,0,0,0,1|2,0,1]=4 454 B10R1.17 CCC#Cc1ccccc1 1P001WH0 [0,0,0,0,0,1|2,0,1]=4 455 B10R1.17 CCCC[n+]1ccccc1 1P0029B3 [0,0,0,0,0,1|3,0,0]=4 456 B10R1.17 CCCC[n+]1ccccc1 1P003BI3 [0,0,0,0,0,1|3,0,0]=4 457 B10R1.17 CCCC[n+]1ccccc1 1P003ENE [0,0,0,0,0,1|3,0,0]=4 458 B10R1.17 CCCC[n+]1ccccc1 1P003ENF [0,0,0,0,0,1|3,0,0]=4 459 B10R1.17 CCCC[n+]1ccccc1 1P007726 [0,0,0,0,0,1|3,0,0]=4 460 B10R1.17 CCCC[n+]1ccccc1 1P01IGTS [0,0,0,0,0,1|3,0,0]=4 461 B10R1.17 CCCCc1ccccc1 1P003P2W [0,0,0,0,0,1|2,0,0]=3 462 B10R1.17 CCCCc1ccccn1 1P01FFM0 [0,0,0,0,0,1|2,0,0]=3 463 B10R1.17 CCCCc1cccnc1 1P00343V [0,0,0,0,0,1|2,0,0]=3 464 B10R1.17 CCCCc1ccncc1 1P00I9ZL [0,0,0,0,0,1|2,0,0]=3 465 B10R1.17 CCCNc1ccccc1 1P003TSL [0,0,0,0,0,1|3,0,0]=4 466 B10R1.17 CCCNc1cccnc1 1P019YSP [0,0,0,0,0,1|3,0,0]=4 467 B10R1.17 CCCOc1ccccc1 1P00E98Z [0,0,0,0,0,1|3,0,0]=4 468 B10R1.17 CCCOc1cccnn1 1P005TEB [0,0,0,0,0,1|3,0,0]=4 469 B10R1.17 CCCOc1cnccn1 1P01BJJ1 [0,0,0,0,0,1|3,0,0]=4 470 B10R1.17 CCCSc1ccccn1 1P01EV41 [0,0,0,0,0,1|3,0,0]=4 471 B10R1.17 CCNCc1ccccc1 1P003TGS [0,0,0,0,0,1|2,0,0]=3 472 B10R1.17 CCNCc1ccccn1 1P003SQR [0,0,0,0,0,1|2,0,0]=3 473 B10R1.17 CCNCc1cccnc1 1P003TH6 [0,0,0,0,0,1|2,0,0]=3 474 B10R1.17 CCNCc1ccncc1 1P003KOX [0,0,0,0,0,1|2,0,0]=3 475 B10R1.17 CCSCc1ccccn1 1P007ETZ [0,0,0,0,0,1|1,1,0]=3 476 B10R1.17 CNCCc1ccccc1 1P003TP4 [0,0,0,0,0,1|3,0,0]=4 477 B10R1.17 CNCCc1ccccc1 1P00CJS7 [0,0,0,0,0,1|3,0,0]=4 478 B10R1.17 CNCCc1ccccn1 1P003OMV [0,0,0,0,0,1|3,0,0]=4 479 B10R1.17 CNCCc1ccccn1 1P003TMX [0,0,0,0,0,1|3,0,0]=4 480 B10R1.17 CNCCc1ccccn1 1P00IAF0 [0,0,0,0,0,1|3,0,0]=4 481 B10R1.17 CNCCc1cccnc1 1P00025V [0,0,0,0,0,1|3,0,0]=4 482 B10R1.17 CNCCc1cccnc1 1P0039D0 [0,0,0,0,0,1|3,0,0]=4 483 B10R1.17 CNCCc1ccncc1 1P0004J6 [0,0,0,0,0,1|3,0,0]=4 484 B10R1.17 CNCCc1ccncc1 1P00D8ZU [0,0,0,0,0,1|3,0,0]=4 485 B10R1.17 CNCCc1cnccn1 1P01A4OO [0,0,0,0,0,1|3,0,0]=4 486 B10R1.17 CNCCc1ncccn1 1P01FKV1 [0,0,0,0,0,1|3,0,0]=4 487 B10R1.17 CNNCc1ccccc1 1P007YMP [0,0,0,0,0,1|3,0,0]=4 488 B10R1.17 CNNCc1ccccc1 1P01EKFO [0,0,0,0,0,1|3,0,0]=4 489 B10R1.17 CNNCc1cccnc1 1P00IGF8 [0,0,0,0,0,1|3,0,0]=4 490 B10R1.17 CNOCc1ccccc1 1P005PAZ [0,0,0,0,0,1|2,0,0]=3 491 B10R1.17 CNOCc1ccccc1 1P01A29U [0,0,0,0,0,1|2,0,0]=3 492 B10R1.17 COCCc1ccccc1 1P003C4E [0,0,0,0,0,1|3,0,0]=4 493 B10R1.17 CONCc1ccccc1 1P006Y6C [0,0,0,0,0,1|3,0,0]=4 494 B10R1.17 CONCc1ccccc1 1P01A5XA [0,0,0,0,0,1|3,0,0]=4 495 B10R1.17 ClCCCc1ccccc1 1P003BI4 [0,0,0,0,0,1|3,0,0]=4 496 B10R1.17 ClCCCc1ccccn1 1P01A6KY [0,0,0,0,0,1|3,0,0]=4 497 B10R1.17 ClCCCc1cccnc1 1P002L24 [0,0,0,0,0,1|3,0,0]=4 498 B10R1.17 ClCCCc1ccncc1 1P00AKXB [0,0,0,0,0,1|3,0,0]=4 499 B10R1.17 ClCOCc1ccccc1 1P0034YY [0,0,0,0,0,1|2,0,0]=3 500 B10R1.17 ClCSCc1ccccc1 1P003OKP [0,0,0,0,0,1|2,1,0]=4 501 B10R1.17 ICCCc1ccccc1 1P003EWA [0,0,0,0,0,1|3,0,0]=4 502 B10R1.17 NCCCc1ccccc1 1P0029L7 [0,0,0,0,0,1|3,0,0]=4 503 B10R1.17 NCCCc1ccccn1 1P001OQL [0,0,0,0,0,1|3,0,0]=4 504 B10R1.17 NCCCc1ccccn1 1P01DW4S [0,0,0,0,0,1|3,0,0]=4 505 B10R1.17 NCCCc1cccnc1 1P003IJD [0,0,0,0,0,1|3,0,0]=4 506 B10R1.17 NCCCc1cccnc1 1P00G3KB [0,0,0,0,0,1|3,0,0]=4 507 B10R1.17 NCCCc1cccnc1 1P00GW1W [0,0,0,0,0,1|3,0,0]=4 508 B10R1.17 NCCCc1ccncc1 1P0030W7 [0,0,0,0,0,1|3,0,0]=4 509 B10R1.17 NCCCc1ccncn1 1P028A28 [0,0,0,0,0,1|3,0,0]=4 510 B10R1.17 NCCCc1cnccn1 1P01A20P [0,0,0,0,0,1|3,0,0]=4 511 B10R1.17 NCCCc1nccnc1 1P028JZE [0,0,0,0,0,1|3,0,0]=4 512 B10R1.17 O=COCc1ccccc1 1P008RMC [0,0,0,0,0,1|2,0,1]=4 513 B10R1.17 OCCCC1=CCC=CC1 1P00H25B [0,0,0,0,0,1|3,0,0]=4 514 B10R1.17 OCCCc1ccccc1 1P00170B [0,0,0,0,0,1|3,0,0]=4 515 B10R1.17 OCCCc1ccccn1 1P002W8D [0,0,0,0,0,1|3,0,0]=4 516 B10R1.17 OCCCc1ccccn1 1P003II3 [0,0,0,0,0,1|3,0,0]=4 517 B10R1.17 OCCCc1cccnc1 1P002W8E [0,0,0,0,0,1|3,0,0]=4 518 B10R1.17 OCCCc1ccncc1 1P002T2T [0,0,0,0,0,1|3,0,0]=4 519 B10R1.17 OCCCc1ccncn1 1P007B3A [0,0,0,0,0,1|3,0,0]=4 520 B10R1.17 SCCCc1ccccc1 1P002PQQ [0,0,0,0,0,1|3,0,0]=4 521 B10R1.17 SCCCc1ccncc1 1P00CEFN [0,0,0,0,0,1|3,0,0]=4 522 B7R0.1 CCC=CC=CC=O 1P00E9KG [1,0,1,0,0,0|0,0,2]=4 523 B7R0.1 CCCCOCC=C 1P003O6A [1,0,1,0,0,0|0,0,2]=4 524 B7R0.1 CCCC\C=C\C=O 1P002H9Q [1,0,1,0,0,0|0,0,2]=4 525 B7R0.1 CC\C=C\C=C\C=O 1P003VBB [1,0,1,0,0,0|0,0,2]=4 526 B7R0.3 CCCCC(C=C)O 1P003EU8 [1,0,1,0,0,0|1,0,1]=4 527 B7R0.3 CCOCC(=O)OC 1P002545 [1,0,1,0,0,0|1,0,1]=4 528 B7R0.7 CCCC(CC=C)O 1P003EU9 [1,0,1,0,0,0|0,0,2]=4 529 B7R0.7 CCOC(=O)C=C=C 1P001INI [1,0,1,0,0,0|0,0,2]=4 530 B7R0.7 CCOC(=O)C=CF 1P01ALA8 [1,0,1,0,0,0|1,0,1]=4 531 B7R0.7 CCOC(=O)CC=C 1P001WAA [1,0,1,0,0,0|0,0,2]=4 532 B7R0.7 CCOC(=O)\C=C/Br 1P003QVA [1,0,1,0,0,0|1,0,1]=4 533 B7R0.7 CCOC(=O)\C=C/Cl 1P001VL0 [1,0,1,0,0,0|1,0,1]=4 534 B7R0.7 CCOC(=O)\C=C/I 1P003PFH [1,0,1,0,0,0|1,0,1]=4 535 B7R0.7 CCOC(=O)\C=C\C 1P00IKXM [1,0,1,0,0,0|0,0,2]=4 536 B7R0.7 CCOC(=O)\C=C\I 1P00C1GJ [1,0,1,0,0,0|1,0,1]=4 537 B7R0.7 [O-]C=CC(=O)OCC 1P0039OA [1,0,1,0,0,0|1,0,1]=4 538 B7R1.1 BrCc1cccs1 1P003A54 [2,0,0,0,0,0|1,1,0]=4 539 B7R1.1 BrCc1ccno1 1P005IU1 [2,0,0,0,0,0|2,0,0]=4 540 B7R1.1 BrCc1cnco1 1P000X8S [2,0,0,0,0,0|2,0,0]=4 541 B7R1.1 BrCc1ncco1 1P01XD2T [2,0,0,0,0,0|2,0,0]=4 542 B7R1.1 C=Cc1ccco1 1P001LLL [2,0,0,0,0,0|0,0,2]=4 543 B7R1.1 CC[C-]1C=CC=C1 1P000XD7 [2,0,0,0,0,0|1,0,1]=4 544 B7R1.1 CC[C-]1C=CC=C1 1P000XD9 [2,0,0,0,0,0|1,0,1]=4 545 B7R1.1 CCc1c[nH]cc1 1P00APDI [2,0,0,0,0,0|2,0,0]=4 546 B7R1.1 CCc1cc[nH]n1 1P0018FG [2,0,0,0,0,0|2,0,0]=4 547 B7R1.1 CCc1ccc[nH]1 1P0033RK [2,0,0,0,0,0|1,0,0]=3 548 B7R1.1 CCc1ccco1 1P003HOB [2,0,0,0,0,0|0,0,0]=2 549 B7R1.1 CCc1cccs1 1P003HOV [2,0,0,0,0,0|0,1,0]=3 550 B7R1.1 CCc1ccon1 1P028EIU [2,0,0,0,0,0|2,0,0]=4 551 B7R1.1 CCc1cnc[nH]1 1P001J1R [2,0,0,0,0,0|2,0,0]=4 552 B7R1.1 CCc1cnco1 1P007IH6 [2,0,0,0,0,0|1,0,0]=3 553 B7R1.1 CCc1cocn1 1P01B79E [2,0,0,0,0,0|2,0,0]=4 554 B7R1.1 CCc1cscc1 1P0027I2 [2,0,0,0,0,0|2,0,0]=4 555 B7R1.1 CCc1cscn1 1P00250B [2,0,0,0,0,0|2,0,0]=4 556 B7R1.1 CCc1ncc[nH]1 1P003BOK [2,0,0,0,0,0|2,0,0]=4 557 B7R1.1 CCc1nccs1 1P001PGS [2,0,0,0,0,0|1,1,0]=4 558 B7R1.1 CCc1nnco1 1P000WQS [2,0,0,0,0,0|2,0,0]=4 559 B7R1.1 CCn1cccc1 1P00EBJW [2,0,0,0,0,0|2,0,0]=4 560 B7R1.1 CCn1cccn1 1P003ES5 [2,0,0,0,0,0|2,0,0]=4 561 B7R1.1 CNc1ncco1 1P0039ZY [2,0,0,0,0,0|2,0,0]=4 562 B7R1.1 COc1c[nH]cn1 1P0048ET [2,0,0,0,0,0|2,0,0]=4 563 B7R1.1 COc1cc[nH]n1 1P00I4N8 [2,0,0,0,0,0|2,0,0]=4 564 B7R1.1 COc1cccs1 1P001YI0 [2,0,0,0,0,0|0,1,0]=3 565 B7R1.1 COc1ccsn1 1P01BDQO [2,0,0,0,0,0|2,0,0]=4 566 B7R1.1 COc1cscc1 1P0021M3 [2,0,0,0,0,0|2,0,0]=4 567 B7R1.1 COc1nccs1 1P001DHP [2,0,0,0,0,0|1,1,0]=4 568 B7R1.1 CSc1ccc[nH]1 1P01ID3L [2,0,0,0,0,0|1,1,0]=4 569 B7R1.1 CSc1ccco1 1P000WBV [2,0,0,0,0,0|0,1,0]=3 570 B7R1.1 CSc1cccs1 1P0033CD [2,0,0,0,0,0|0,2,0]=4 571 B7R1.1 CSc1ncco1 1P002DMB [2,0,0,0,0,0|1,1,0]=4 572 B7R1.1 ClCc1cccs1 1P005XFR [2,0,0,0,0,0|1,1,0]=4 573 B7R1.1 ClCc1ccno1 1P00ECFK [2,0,0,0,0,0|2,0,0]=4 574 B7R1.1 ClCc1cnco1 1P007W6B [2,0,0,0,0,0|2,0,0]=4 575 B7R1.1 ClCc1ncco1 1P0038DX [2,0,0,0,0,0|2,0,0]=4 576 B7R1.1 ClCc1ncco1 1P028B1R [2,0,0,0,0,0|2,0,0]=4 577 B7R1.1 N#Cc1ccco1 1P003BOZ [2,0,0,0,0,0|1,0,1]=4 578 B7R1.1 NCc1ccc[nH]1 1P0033BP [2,0,0,0,0,0|2,0,0]=4 579 B7R1.1 NCc1ccc[nH]1 1P006SOC [2,0,0,0,0,0|2,0,0]=4 580 B7R1.1 NCc1ccco1 1P00IBDE [2,0,0,0,0,0|1,0,0]=3 581 B7R1.1 NCc1cccs1 1P002V4I [2,0,0,0,0,0|1,1,0]=4 582 B7R1.1 NCc1ccno1 1P0037YF [2,0,0,0,0,0|2,0,0]=4 583 B7R1.1 NCc1ccno1 1P007323 [2,0,0,0,0,0|2,0,0]=4 584 B7R1.1 NCc1cnco1 1P000PTG [2,0,0,0,0,0|2,0,0]=4 585 B7R1.1 NCc1ncco1 1P0038HB [2,0,0,0,0,0|2,0,0]=4 586 B7R1.1 NCc1ncco1 1P028B4B [2,0,0,0,0,0|2,0,0]=4 587 B7R1.1 NCc1ocnc1 1P009I2F [2,0,0,0,0,0|2,0,0]=4 588 B7R1.1 O=Cc1ccco1 1P0033SN [2,0,0,0,0,0|0,0,2]=4 589 B7R1.1 OC[C-]1C=CC=C1 1P000XDA [2,0,0,0,0,0|1,0,1]=4 590 B7R1.1 OC[C-]1C=CC=C1 1P000ZBP [2,0,0,0,0,0|1,0,1]=4 591 B7R1.1 OCc1c[nH]cc1 1P00FVQG [2,0,0,0,0,0|2,0,0]=4 592 B7R1.1 OCc1c[nH]cn1 1P0038JP [2,0,0,0,0,0|2,0,0]=4 593 B7R1.1 OCc1c[nH]cn1 1P0056GC [2,0,0,0,0,0|2,0,0]=4 594 B7R1.1 OCc1cc[nH]n1 1P002O87 [2,0,0,0,0,0|2,0,0]=4 595 B7R1.1 OCc1ccco1 1P003R60 [2,0,0,0,0,0|0,0,0]=2 596 B7R1.1 OCc1cccs1 1P003BQJ [2,0,0,0,0,0|0,1,0]=3 597 B7R1.1 OCc1ccno1 1P006AUF [2,0,0,0,0,0|1,0,0]=3 598 B7R1.1 OCc1ccns1 1P00ACUC [2,0,0,0,0,0|1,1,0]=4 599 B7R1.1 OCc1ccon1 1P0036QI [2,0,0,0,0,0|2,0,0]=4 600 B7R1.1 OCc1ccsn1 1P01V5TO [2,0,0,0,0,0|2,0,0]=4 601 B7R1.1 OCc1cnco1 1P000X8T [2,0,0,0,0,0|1,0,0]=3 602 B7R1.1 OCc1cncs1 1P0034R1 [2,0,0,0,0,0|1,1,0]=4 603 B7R1.1 OCc1cocc1 1P0072QO [2,0,0,0,0,0|2,0,0]=4 604 B7R1.1 OCc1cocn1 1P001ON1 [2,0,0,0,0,0|2,0,0]=4 605 B7R1.1 OCc1cscc1 1P003KDJ [2,0,0,0,0,0|2,0,0]=4 606 B7R1.1 OCc1cscn1 1P003AEU [2,0,0,0,0,0|2,0,0]=4 607 B7R1.1 OCc1ncc[nH]1 1P000CAH [2,0,0,0,0,0|2,0,0]=4 608 B7R1.1 OCc1ncc[nH]1 1P00BYAS [2,0,0,0,0,0|2,0,0]=4 609 B7R1.1 OCc1ncco1 1P000V32 [2,0,0,0,0,0|1,0,0]=3 610 B7R1.1 OCc1nccs1 1P001DHQ [2,0,0,0,0,0|1,1,0]=4 611 B7R1.1 OCc1ncno1 1P01DTPJ [2,0,0,0,0,0|2,0,0]=4 612 B7R1.1 OCn1cccn1 1P007CY4 [2,0,0,0,0,0|2,0,0]=4 613 B7R1.1 SCc1ccc[nH]1 1P01DX9D [2,0,0,0,0,0|1,1,0]=4 614 B7R1.1 SCc1ccco1 1P003R61 [2,0,0,0,0,0|0,1,0]=3 615 B7R1.1 SCc1cccs1 1P003IEO [2,0,0,0,0,0|0,2,0]=4 616 B7R1.1 SCc1ccno1 1P020M66 [2,0,0,0,0,0|1,1,0]=4 617 B9R0.5 CCCCCC(=O)OC=C 1P0030VB [0,1,1,0,0,0|2,0,0]=4 618 B9R0.35 CCOC(=O)\C(=C\C=C)\C 1P028IG2 [0,1,1,0,0,0|1,0,1]=4 619 B9R0.2 CC=CC=CCOC(=O)C 1P001NWK [0,1,1,0,0,0|1,0,1]=4 620 B9R0.2 CCCCC\C=C\C(=O)O 1P003VDD [0,1,1,0,0,0|1,0,1]=4 621 B9R0.2 CCC\C=C\C=C\C(=O)O 1P006ZC7 [0,1,1,0,0,0|1,0,1]=4 622 B9R0.45 CCCC\C=C\C=C\C=O 1P00IM07 [0,1,1,0,0,0|1,0,1]=4 623 B9R0.45 OCCOCCOCC=C 1P001NB5 [0,1,1,0,0,0|0,0,2]=4 624 B9R0.46 CCNCCOC(=O)C=C 1P0282QJ [0,1,1,0,0,0|1,0,1]=4 625 B9R0.46 CCOCCOC(=O)C=C 1P003HN4 [0,1,1,0,0,0|0,0,1]=3 626 B9R1.7 C(CC)C1=CC(OC1)=O 1P01JJQ8 [1,1,0,0,0,0|2,0,0]=4 627 B9R1.7 CCCc1c[nH]c(=N)s1 1P0076N1 [1,1,0,0,0,0|1,1,0]=4 628 B9R1.7 CCCc1c[nH]c(=O)[nH]1 1P0003D4 [1,1,0,0,0,0|2,0,0]=4 629 B9R1.7 CCCc1cc(n[nH]1)N 1P000TN0 [1,1,0,0,0,0|2,0,0]=4 630 B9R1.7 CCCc1cc(n[nH]1)N 1P01AHJ9 [1,1,0,0,0,0|2,0,0]=4 631 B9R1.7 CCCc1cc(no1)N 1P00IAF8 [1,1,0,0,0,0|1,0,0]=3 632 B9R1.7 CCCc1cc(on1)N 1P00FEB9 [1,1,0,0,0,0|2,0,0]=4 633 B9R1.7 CCCc1ccc(s1)Br 1P007DLW [1,1,0,0,0,0|0,1,0]=3 634 B9R1.7 CCCc1coc(n1)Br 1P01BAUE [1,1,0,0,0,0|2,0,0]=4 635 B9R1.7 CCCc1csc(n1)C 1P00D7JO [1,1,0,0,0,0|2,0,0]=4 636 B9R1.7 CCCc1csc(n1)N 1P00EGKN [1,1,0,0,0,0|2,0,0]=4 637 B9R1.7 CCCc1csc(n1)N 1P01A4B0 [1,1,0,0,0,0|2,0,0]=4 638 B9R1.7 CCCc1nc(c[nH]1)Br 1P00J2YS [1,1,0,0,0,0|2,0,0]=4 639 B9R1.7 CCCc1nc(c[nH]1)I 1P01DHCF [1,1,0,0,0,0|2,0,0]=4 640 B9R1.7 CCCc1nc(cs1)N 1P01DVH7 [1,1,0,0,0,0|1,1,0]=4 641 B9R1.7 CCCc1nc(no1)N 1P00ADB3 [1,1,0,0,0,0|2,0,0]=4 642 B9R1.7 CCCc1ncc(s1)N 1P01FJWT [1,1,0,0,0,0|1,1,0]=4 643 B9R1.7 CCCc1nnc(o1)N 1P00FEYV [1,1,0,0,0,0|2,0,0]=4 644 B9R1.7 CCCc1nnc(o1)O 1P00J32U [1,1,0,0,0,0|2,0,0]=4 645 B9R1.7 CCCc1nnc(o1)S 1P01A10N [1,1,0,0,0,0|2,0,0]=4 646 B9R1.7 CCCn1cc(cn1)Br 1P009I33 [1,1,0,0,0,0|2,0,0]=4 647 B9R1.7 CCCn1cc(cn1)Cl 1P00HFYD [1,1,0,0,0,0|2,0,0]=4 648 B9R1.7 CCCn1cc(cn1)N 1P009AM2 [1,1,0,0,0,0|2,0,0]=4 649 B9R1.7 CCCn1cc(cn1)N 1P009X7M [1,1,0,0,0,0|2,0,0]=4 650 B9R1.7 CCCn1ccc(n1)Br 1P01DZ5E [1,1,0,0,0,0|2,0,0]=4 651 B9R1.7 CCCn1ccc(n1)I 1P00733M [1,1,0,0,0,0|2,0,0]=4 652 B9R1.7 CCCn1ccc(n1)N 1P00JCPI [1,1,0,0,0,0|2,0,0]=4 653 B9R1.7 CCOC1=CC(=O)CC1 1P003JU5 [1,1,0,0,0,0|1,0,1]=4 654 B9R1.7 CCOc1[nH]nc(c1)C 1P00J2CV [1,1,0,0,0,0|2,0,0]=4 655 B9R1.7 CCOc1cc(n[nH]1)N 1P028S7P [1,1,0,0,0,0|2,0,0]=4 656 B9R1.7 CCOc1n[nH]c(c1)C 1P00CLRX [1,1,0,0,0,0|2,0,0]=4 657 B9R1.7 CCOc1nc(co1)Br 1P028BUL [1,1,0,0,0,0|1,0,0]=3 658 B9R1.7 CCOc1nc(cs1)Br 1P00BGP8 [1,1,0,0,0,0|1,1,0]=4 659 B9R1.7 CCOc1nc(cs1)Cl 1P01C3E2 [1,1,0,0,0,0|1,1,0]=4 660 B9R1.7 CNCc1cc(c[nH]1)I 1P027TY7 [1,1,0,0,0,0|2,0,0]=4 661 B9R1.7 CNCc1cc(co1)Br 1P027UY5 [1,1,0,0,0,0|1,0,0]=3 662 B9R1.7 CNCc1cc(cs1)Br 1P00G3BA [1,1,0,0,0,0|1,1,0]=4 663 B9R1.7 CNCc1cc(cs1)Cl 1P027V3U [1,1,0,0,0,0|1,1,0]=4 664 B9R1.7 CNCc1ccc([nH]1)C 1P027TXD [1,1,0,0,0,0|2,0,0]=4 665 B9R1.7 CNCc1ccc(o1)Br 1P019NFF [1,1,0,0,0,0|1,0,0]=3 666 B9R1.7 CNCc1ccc(o1)C 1P001EP7 [1,1,0,0,0,0|1,0,0]=3 667 B9R1.7 CNCc1ccc(o1)Cl 1P027VBZ [1,1,0,0,0,0|1,0,0]=3 668 B9R1.7 CNCc1ccc(s1)Br 1P006D50 [1,1,0,0,0,0|1,1,0]=4 669 B9R1.7 CNCc1ccc(s1)C 1P00GW4I [1,1,0,0,0,0|1,1,0]=4 670 B9R1.7 CNCc1ccc(s1)Cl 1P005T96 [1,1,0,0,0,0|1,1,0]=4 671 B9R1.7 CNCc1ncc(o1)C 1P027XJA [1,1,0,0,0,0|2,0,0]=4 672 B9R1.7 CNCc1onc(c1)C 1P00C8MI [1,1,0,0,0,0|2,0,0]=4 673 B9R1.7 CNCc1onc(c1)C 1P00J3SK [1,1,0,0,0,0|2,0,0]=4 674 B9R1.7 CNCc1scc(c1)C 1P008A2T [1,1,0,0,0,0|1,1,0]=4 675 B9R1.7 COCc1cc(cs1)Br 1P00HWPE [1,1,0,0,0,0|0,1,0]=3 676 B9R1.7 COCc1cc(n[nH]1)N 1P00FIAR [1,1,0,0,0,0|2,0,0]=4 677 B9R1.7 COCc1cc(no1)Br 1P024RJK [1,1,0,0,0,0|1,0,0]=3 678 B9R1.7 COCc1cc(no1)N 1P0198RT [1,1,0,0,0,0|1,0,0]=3 679 B9R1.7 COCc1cc(on1)N 1P028KT3 [1,1,0,0,0,0|2,0,0]=4 680 B9R1.7 COCc1cnc(o1)Br 1P028PDD [1,1,0,0,0,0|1,0,0]=3 681 B9R1.7 COCc1cnc(s1)N 1P01B9U9 [1,1,0,0,0,0|1,1,0]=4 682 B9R1.7 COCc1coc(n1)Br 1P024RJM [1,1,0,0,0,0|2,0,0]=4 683 B9R1.7 COCc1csc(c1)Br 1P027XGR [1,1,0,0,0,0|2,0,0]=4 684 B9R1.7 COCc1csc(n1)Br 1P028LEG [1,1,0,0,0,0|2,0,0]=4 685 B9R1.7 COCc1csc(n1)N 1P00IBS4 [1,1,0,0,0,0|2,0,0]=4 686 B9R1.7 COCc1n[nH]c(=O)o1 1P01A006 [1,1,0,0,0,0|2,0,0]=4 687 B9R1.7 COCc1n[nH]c(c1)C 1P00JGX7 [1,1,0,0,0,0|2,0,0]=4 688 B9R1.7 COCc1nc(no1)N 1P009EDZ [1,1,0,0,0,0|2,0,0]=4 689 B9R1.7 COCc1ncn(c1)C 1P028ZD1 [1,1,0,0,0,0|2,0,0]=4 690 B9R1.7 COCc1nnc(o1)N 1P00C2OR [1,1,0,0,0,0|2,0,0]=4 691 B9R1.7 COCn1cc(cn1)N 1P0001KJ [1,1,0,0,0,0|2,0,0]=4 692 B9R1.7 COCn1ncc(c1)C 1P01BI8E [1,1,0,0,0,0|2,0,0]=4 693 B9R1.7 Cc1cc(on1)CCBr 1P028TDA [1,1,0,0,0,0|2,0,0]=4 694 B9R1.7 Cc1cc(on1)CCCl 1P018SCV [1,1,0,0,0,0|2,0,0]=4 695 B9R1.7 Cc1cc(on1)CCN 1P01BBDJ [1,1,0,0,0,0|2,0,0]=4 696 B9R1.7 Cc1cc(sc1)CCN 1P028915 [1,1,0,0,0,0|1,1,0]=4 697 B9R1.7 Cc1ccc(o1)CCN 1P0031S1 [1,1,0,0,0,0|1,0,0]=3 698 B9R1.7 Cc1ccc(o1)CCO 1P00CNQA [1,1,0,0,0,0|1,0,0]=3 699 B9R1.7 Cc1ccc(s1)CCBr 1P028V6A [1,1,0,0,0,0|1,1,0]=4 700 B9R1.7 Cc1ccc(s1)CCN 1P0015S3 [1,1,0,0,0,0|1,1,0]=4 701 B9R1.7 Cc1ccc(s1)CCN 1P0030KN [1,1,0,0,0,0|1,1,0]=4 702 B9R1.7 Cc1ccc(s1)CCO 1P01BBAZ [1,1,0,0,0,0|1,1,0]=4 703 B9R1.7 NCCc1cc(cs1)Br 1P000EG0 [1,1,0,0,0,0|1,1,0]=4 704 B9R1.7 NCCc1cc(no1)Br 1P028W5V [1,1,0,0,0,0|2,0,0]=4 705 B9R1.7 NCCc1cc(no1)O 1P01FIC2 [1,1,0,0,0,0|2,0,0]=4 706 B9R1.7 NCCc1ccc(o1)Br 1P01A1LP [1,1,0,0,0,0|1,0,0]=3 707 B9R1.7 NCCc1ccc(o1)Br 1P01AES0 [1,1,0,0,0,0|1,0,0]=3 708 B9R1.7 NCCc1ccc(s1)Br 1P00H3HI [1,1,0,0,0,0|1,1,0]=4 709 B9R1.7 NCCc1ccc(s1)Cl 1P00DK83 [1,1,0,0,0,0|1,1,0]=4 710 B9R1.7 NCCc1ccc(s1)I 1P01AA75 [1,1,0,0,0,0|1,1,0]=4 711 B9R1.7 NCCc1cnc(o1)C 1P01FJW6 [1,1,0,0,0,0|2,0,0]=4 712 B9R1.7 NCCc1ncc(o1)C 1P028TLR [1,1,0,0,0,0|2,0,0]=4 713 B9R1.7 OCCc1cc(no1)Br 1P008UEY [1,1,0,0,0,0|2,0,0]=4 714 B9R1.7 OCCc1ccc(s1)Br 1P01DWYV [1,1,0,0,0,0|1,1,0]=4 715 B9R1.7 OCCc1ccc(s1)Cl 1P01EARD [1,1,0,0,0,0|1,1,0]=4 716 B9R1.7 [C-]#[N+]Cc1ccc(o1)C 1P01NLZE [1,1,0,0,0,0|1,0,1]=4 717 B9R1.11 BrCC(=O)c1ccco1 1P001NJG [1,1,0,0,0,0|1,0,1]=4 718 B9R1.11 CCC(=O)c1ccc[nH]1 1P003ID5 [1,1,0,0,0,0|1,0,1]=4 719 B9R1.11 CCC(=O)c1ccco1 1P003ID4 [1,1,0,0,0,0|0,0,1]=3 720 B9R1.11 CCC(=O)c1cccs1 1P0012U6 [1,1,0,0,0,0|0,1,1]=4 721 B9R1.11 CCC(=O)c1cnco1 1P028798 [1,1,0,0,0,0|1,0,1]=4 722 B9R1.11 CCC(=O)c1ncco1 1P028HER [1,1,0,0,0,0|1,0,1]=4 723 B9R1.11 CCC(c1ccco1)N 1P01ASY7 [1,1,0,0,0,0|0,0,0]=2 724 B9R1.11 CCC(c1cccs1)N 1P00J3T4 [1,1,0,0,0,0|0,1,0]=3 725 B9R1.11 CCC(c1cccs1)O 1P01DZQ6 [1,1,0,0,0,0|0,1,0]=3 726 B9R1.11 CCC(c1cocn1)N 1P028JJG [1,1,0,0,0,0|2,0,0]=4 727 B9R1.11 CCC(c1ncc[nH]1)N 1P019U6F [1,1,0,0,0,0|2,0,0]=4 728 B9R1.11 CCC(c1ncc[nH]1)O 1P01BFPD [1,1,0,0,0,0|2,0,0]=4 729 B9R1.11 CCC(c1nccs1)N 1P00DD9N [1,1,0,0,0,0|1,1,0]=4 730 B9R1.11 CCC(c1nccs1)N 1P00J1N8 [1,1,0,0,0,0|1,1,0]=4 731 B9R1.11 CCC(c1nccs1)N 1P0284QG [1,1,0,0,0,0|1,1,0]=4 732 B9R1.11 CCC(c1nccs1)O 1P0291G3 [1,1,0,0,0,0|1,1,0]=4 733 B9R1.11 CCC(c1ncsc1)N 1P01KLPF [1,1,0,0,0,0|2,0,0]=4 734 B9R1.11 CCC(n1cccn1)C 1P01AOSY [1,1,0,0,0,0|2,0,0]=4 735 B9R1.11 CC[C@@H](c1cccs1)N 1P01BGQU [1,1,0,0,0,0|0,1,0]=3 736 B9R1.11 CN=C(c1ccco1)Cl 1P00ECZR [1,1,0,0,0,0|1,0,1]=4 737 B9R1.11 CNC(c1ccco1)C 1P019MEE [1,1,0,0,0,0|1,0,0]=3 738 B9R1.11 CNC(c1cccs1)C 1P00201P [1,1,0,0,0,0|1,1,0]=4 739 B9R1.11 CNC(c1cccs1)C 1P00J3S0 [1,1,0,0,0,0|1,1,0]=4 740 B9R1.11 COC(=O)c1ccc[nH]1 1P000J0Q [1,1,0,0,0,0|1,0,1]=4 741 B9R1.11 COC(=O)c1ccco1 1P003S4L [1,1,0,0,0,0|0,0,1]=3 742 B9R1.11 COC(=O)c1cccs1 1P003SJG [1,1,0,0,0,0|0,1,1]=4 743 B9R1.11 COC(=O)c1ccno1 1P001N6B [1,1,0,0,0,0|1,0,1]=4 744 B9R1.11 COC(=O)c1cnco1 1P009C0L [1,1,0,0,0,0|1,0,1]=4 745 B9R1.11 COC(=O)c1ncco1 1P00CJ9J [1,1,0,0,0,0|1,0,1]=4 746 B9R1.11 CSC(=O)c1ccco1 1P0012UC [1,1,0,0,0,0|0,1,1]=4 747 B9R1.11 ClCC(=O)c1ccco1 1P00DMAM [1,1,0,0,0,0|1,0,1]=4 748 B9R1.11 N#CC(c1ccco1)C 1P01B6OK [1,1,0,0,0,0|1,0,1]=4 749 B9R1.11 NCC(=O)c1ccco1 1P0045RE [1,1,0,0,0,0|1,0,1]=4 750 B9R1.11 NCC(c1ccco1)O 1P00C1QL [1,1,0,0,0,0|1,0,0]=3 751 B9R1.11 NCC(c1cccs1)C 1P01AKCV [1,1,0,0,0,0|1,1,0]=4 752 B9R1.11 NCC(c1cccs1)O 1P01AIA5 [1,1,0,0,0,0|1,1,0]=4 753 B9R1.11 OCC(=O)c1ccco1 1P0025D5 [1,1,0,0,0,0|1,0,1]=4 754 B9R1.11 OCC(c1ccco1)N 1P00BJSX [1,1,0,0,0,0|1,0,0]=3 755 B9R1.11 OCC(c1cccs1)N 1P00I4GJ [1,1,0,0,0,0|1,1,0]=4 756 B9R1.11 OC[C@H](c1ccco1)N 1P024G1T [1,1,0,0,0,0|1,0,0]=3 757 B9R1.11 OC[C@H](c1ccco1)O 1P001DDJ [1,1,0,0,0,0|1,0,0]=3 758 B9R1.13 CC(=O)Cc1ccco1 1P003BP0 [1,1,0,0,0,0|0,0,1]=3 759 B9R1.13 CC(=O)Cc1cccs1 1P007GZM [1,1,0,0,0,0|0,1,1]=4 760 B9R1.13 CC(=O)Cc1ccno1 1P009V9M [1,1,0,0,0,0|1,0,1]=4 761 B9R1.13 CC(Cc1c[nH]cc1)N 1P01DVNP [1,1,0,0,0,0|2,0,0]=4 762 B9R1.13 CC(Cc1cc[nH]n1)N 1P01FJWX [1,1,0,0,0,0|2,0,0]=4 763 B9R1.13 CC(Cc1ccco1)N 1P00EAVK [1,1,0,0,0,0|0,0,0]=2 764 B9R1.13 CC(Cc1ccco1)O 1P003O8Y [1,1,0,0,0,0|0,0,0]=2 765 B9R1.13 CC(Cc1cccs1)C 1P00CB7B [1,1,0,0,0,0|0,1,0]=3 766 B9R1.13 CC(Cc1cccs1)N 1P01AAV0 [1,1,0,0,0,0|0,1,0]=3 767 B9R1.13 CC(Cc1ccno1)O 1P01C9P6 [1,1,0,0,0,0|1,0,0]=3 768 B9R1.13 CC(Cc1cocc1)N 1P019ZJ8 [1,1,0,0,0,0|2,0,0]=4 769 B9R1.13 CC(Cc1cscc1)N 1P00IEEW [1,1,0,0,0,0|2,0,0]=4 770 B9R1.13 CC(Cc1cscc1)N 1P019WY2 [1,1,0,0,0,0|2,0,0]=4 771 B9R1.13 CC(Cc1cscc1)O 1P01A4LR [1,1,0,0,0,0|2,0,0]=4 772 B9R1.13 CC(Cc1nc[nH]c1)N 1P00D351 [1,1,0,0,0,0|2,0,0]=4 773 B9R1.13 CC(Cc1ncc[nH]1)C 1P00EERW [1,1,0,0,0,0|2,0,0]=4 774 B9R1.13 CC(Cc1ncc[nH]1)O 1P01A054 [1,1,0,0,0,0|2,0,0]=4 775 B9R1.13 CC(Cc1ncc[nH]1)O 1P028WTT [1,1,0,0,0,0|2,0,0]=4 776 B9R1.13 CC(Cc1nccs1)C 1P003BP9 [1,1,0,0,0,0|1,1,0]=4 777 B9R1.13 CC(Cn1cccn1)C 1P00ICQU [1,1,0,0,0,0|2,0,0]=4 778 B9R1.13 CC(Cn1cccn1)O 1P019Z2N [1,1,0,0,0,0|2,0,0]=4 779 B9R1.13 CN(Cc1ccc[nH]1)C 1P00AL1G [1,1,0,0,0,0|2,0,0]=4 780 B9R1.13 CN(Cc1ccco1)C 1P001KUW [1,1,0,0,0,0|1,0,0]=3 781 B9R1.13 C[C@@H](Cc1cscc1)N 1P023NMT [1,1,0,0,0,0|2,0,0]=4 782 B9R1.13 C[C@@H](Cc1cscc1)O 1P001IXV [1,1,0,0,0,0|2,0,0]=4 783 B9R1.13 C[C@H](Cc1cscc1)N 1P01PIYF [1,1,0,0,0,0|2,0,0]=4 784 B9R1.13 C[C@H](Cc1cscc1)O 1P028WK6 [1,1,0,0,0,0|2,0,0]=4 785 B9R1.13 C[C@H](Cc1nc[nH]c1)N 1P005JYD [1,1,0,0,0,0|2,0,0]=4 786 B9R1.13 C[C@H](Cc1ncco1)N 1P0280J9 [1,1,0,0,0,0|1,0,0]=3 787 B9R1.13 OC(=O)Cc1ccco1 1P0038KQ [1,1,0,0,0,0|1,0,1]=4 788 B9R1.33 CCCc1c(Br)cn[nH]1 1P01DR1Z [1,1,0,0,0,0|2,0,0]=4 789 B9R1.33 CCCn1nccc1C 1P00D199 [1,1,0,0,0,0|2,0,0]=4 790 B9R1.33 CCCn1nccc1I 1P01APA2 [1,1,0,0,0,0|2,0,0]=4 791 B9R1.33 CCCn1nccc1N 1P00C0K7 [1,1,0,0,0,0|2,0,0]=4 792 B9R1.33 CCCn1nccc1N 1P01FJXB [1,1,0,0,0,0|2,0,0]=4 793 B9R1.33 CCOc1n[nH]cc1I 1P00947D [1,1,0,0,0,0|2,0,0]=4 794 B9R1.33 CCOc1nscc1Br 1P027V3F [1,1,0,0,0,0|2,0,0]=4 795 B9R1.33 CCOc1ocnc1C 1P006WTJ [1,1,0,0,0,0|1,0,0]=3 796 B9R1.33 CNCc1cccn1C 1P002S01 [1,1,0,0,0,0|2,0,0]=4 797 B9R1.33 CNCc1occc1Br 1P027TXM [1,1,0,0,0,0|1,0,0]=3 798 B9R1.33 CNCc1occc1C 1P006RQJ [1,1,0,0,0,0|1,0,0]=3 799 B9R1.33 CNCc1ocnc1C 1P028NKW [1,1,0,0,0,0|2,0,0]=4 800 B9R1.33 CNCc1sccc1Br 1P019UHJ [1,1,0,0,0,0|1,1,0]=4 801 B9R1.33 CNCc1sccc1C 1P00IECX [1,1,0,0,0,0|1,1,0]=4 802 B9R1.33 CNCc1sccc1Cl 1P027WYE [1,1,0,0,0,0|1,1,0]=4 803 B9R1.33 COCc1c(Br)cn[nH]1 1P0280GL [1,1,0,0,0,0|2,0,0]=4 804 B9R1.33 COCc1ccnn1C 1P01EJ65 [1,1,0,0,0,0|2,0,0]=4 805 B9R1.33 COCc1nccn1C 1P01EJ3H [1,1,0,0,0,0|2,0,0]=4 806 B9R1.33 COCc1sccc1Br 1P0009TG [1,1,0,0,0,0|0,1,0]=3 807 B9R1.33 COCc1sncc1Br 1P01FJ29 [1,1,0,0,0,0|1,1,0]=4 808 B9R1.33 COCn1nccc1Br 1P028DLZ [1,1,0,0,0,0|2,0,0]=4 809 B9R1.33 NCCc1sccc1Br 1P01BU9B [1,1,0,0,0,0|1,1,0]=4 810 B9R1.33 NCCc1sccc1C 1P01A4W7 [1,1,0,0,0,0|1,1,0]=4 811 B9R1.33 NCCc1sccc1Cl 1P027WT4 [1,1,0,0,0,0|1,1,0]=4 812 B9R1.33 NCCc1sccc1F 1P0291IN [1,1,0,0,0,0|1,1,0]=4 813 B9R1.33 OCCc1cccn1C 1P00ELFX [1,1,0,0,0,0|2,0,0]=4 814 B9R1.33 OCCc1sccc1Br 1P009JN1 [1,1,0,0,0,0|1,1,0]=4 815 B9R1.33 OCCc1sccc1C 1P01DW6N [1,1,0,0,0,0|1,1,0]=4 816 B11R1.1 CCCCc1ccc(cc1)Br 1P00336L [0,1,0,0,0,1|2,0,0]=4 817 B11R1.1 CCCCc1ccc(cc1)Cl 1P001NZO [0,1,0,0,0,1|2,0,0]=4 818 B11R1.1 CCCCc1ccc(cc1)I 1P002IZU [0,1,0,0,0,1|2,0,0]=4 819 B11R1.1 CCCCc1ccc(cc1)N 1P003LI3 [0,1,0,0,0,1|2,0,0]=4 820 B11R1.1 CCCCc1ccc(cc1)O 1P001UUX [0,1,0,0,0,1|2,0,0]=4 821 B11R1.1 CCCCc1ccc(cc1)S 1P00DDOD [0,1,0,0,0,1|2,0,0]=4 822 B11R1.1 CCCCc1ccc(nn1)N 1P01K0F1 [0,1,0,0,0,1|2,0,0]=4 823 B11R1.1 CCCCc1ncc(cn1)N 1P027YA5 [0,1,0,0,0,1|2,0,0]=4 824 B11R1.1 CCNCc1ccc(cc1)Br 1P003TGJ [0,1,0,0,0,1|2,0,0]=4 825 B11R1.1 CCNCc1ccc(cc1)Br 1P00J2CJ [0,1,0,0,0,1|2,0,0]=4 826 B11R1.1 CCNCc1ccc(cc1)C 1P00CJ9L [0,1,0,0,0,1|2,0,0]=4 827 B11R1.1 CCNCc1ccc(cc1)Cl 1P0007GX [0,1,0,0,0,1|2,0,0]=4 828 B11R1.1 CCNCc1ccc(cc1)Cl 1P003TGL [0,1,0,0,0,1|2,0,0]=4 829 B11R1.1 CCNCc1ccc(cc1)F 1P001TJ2 [0,1,0,0,0,1|2,0,0]=4 830 B11R1.1 CCNCc1ccc(cc1)F 1P0094SB [0,1,0,0,0,1|2,0,0]=4 831 B11R1.1 CCNCc1ccc(cc1)N 1P0006EC [0,1,0,0,0,1|2,0,0]=4 832 B11R1.1 CCNCc1ccc(cc1)O 1P003L1C [0,1,0,0,0,1|2,0,0]=4 833 B11R1.1 CCNCc1ccc(cc1)O 1P01A8XI [0,1,0,0,0,1|2,0,0]=4 834 B11R1.1 CCOCc1ccc(cc1)Br 1P00IJ6E [0,1,0,0,0,1|1,0,0]=3 835 B11R1.1 CCOCc1ccc(cc1)C 1P01HZM1 [0,1,0,0,0,1|1,0,0]=3 836 B11R1.1 CCOCc1ccc(cc1)N 1P019TIW [0,1,0,0,0,1|1,0,0]=3 837 B11R1.1 CCOCc1ccc(cc1)O 1P00EH9G [0,1,0,0,0,1|1,0,0]=3 838 B11R1.1 CCOCc1ccc(nc1)Cl 1P00H1XH [0,1,0,0,0,1|1,0,0]=3 839 B11R1.1 CCSCc1ccc(cc1)N 1P01C1X8 [0,1,0,0,0,1|1,1,0]=4 840 B11R1.16 CCCC(c1ccccc1)Br 1P028J5S [0,1,0,0,0,1|2,0,0]=4 841 B11R1.16 CCCC(c1ccccc1)N 1P007LFH [0,1,0,0,0,1|2,0,0]=4 842 B11R1.16 CCCC(c1ccccc1)N 1P00J1NH [0,1,0,0,0,1|2,0,0]=4 843 B11R1.16 CCCC(c1ccccc1)O 1P003F2B [0,1,0,0,0,1|2,0,0]=4 844 B11R1.16 CCCC(c1ccccn1)C 1P01EXTY [0,1,0,0,0,1|2,0,0]=4 845 B11R1.16 CCCC(c1ccccn1)N 1P006PDX [0,1,0,0,0,1|2,0,0]=4 846 B11R1.16 CCCC(c1ccccn1)O 1P028Z4O [0,1,0,0,0,1|2,0,0]=4 847 B11R1.16 CCCC(c1cccnc1)N 1P00IGO1 [0,1,0,0,0,1|2,0,0]=4 848 B11R1.16 CCCC(c1ccncc1)N 1P0094A8 [0,1,0,0,0,1|2,0,0]=4 849 B11R1.16 CCCC(c1ccncc1)N 1P01DUNN [0,1,0,0,0,1|2,0,0]=4 850 B11R1.16 CCCC(c1ncccn1)N 1P028L7L [0,1,0,0,0,1|2,0,0]=4 851 B11R1.16 CCNC(c1ccccc1)C 1P0004S9 [0,1,0,0,0,1|2,0,0]=4 852 B11R1.16 CCNC(c1cccnc1)C 1P00EFBF [0,1,0,0,0,1|2,0,0]=4 853 B11R1.16 CCNC(c1cccnc1)C 1P028RTA [0,1,0,0,0,1|2,0,0]=4 854 B11R1.16 CCNC(c1ccncc1)C 1P01AKDL [0,1,0,0,0,1|2,0,0]=4 855 B11R1.16 CCOC(=N)c1ccccc1 1P003QV0 [0,1,0,0,0,1|1,0,1]=4 856 B11R1.16 CCOC(=N)c1ccncc1 1P00C13H [0,1,0,0,0,1|1,0,1]=4 857 B11R1.16 CCOC(=O)C1=CC=CCC1 1P01E8XZ [0,1,0,0,0,1|1,0,1]=4 858 B11R1.16 CCOC(=O)c1ccccc1 1P003QV1 [0,1,0,0,0,1|1,0,1]=4 859 B11R1.16 CCOC(=O)c1ccccn1 1P007OC8 [0,1,0,0,0,1|1,0,1]=4 860 B11R1.16 CCOC(=O)c1cccnc1 1P003QWQ [0,1,0,0,0,1|1,0,1]=4 861 B11R1.16 CCOC(=O)c1cccnn1 1P0082MH [0,1,0,0,0,1|1,0,1]=4 862 B11R1.16 CCOC(=O)c1ccncc1 1P0035D0 [0,1,0,0,0,1|1,0,1]=4 863 B11R1.16 CCOC(=O)c1ccncn1 1P00EAYJ [0,1,0,0,0,1|1,0,1]=4 864 B11R1.16 CCOC(=O)c1cnccn1 1P006AWS [0,1,0,0,0,1|1,0,1]=4 865 B11R1.16 CCOC(=O)c1ncccn1 1P003QM1 [0,1,0,0,0,1|1,0,1]=4 866 B11R1.16 CCOP(=O)c1ccccc1 1P002QZM [0,1,0,0,0,1|2,0,0]=4 867 B11R1.17 CCCCc1ccccc1N 1P003I8I [0,1,0,0,0,1|2,0,0]=4 868 B11R1.17 CCNCc1ccccc1Br 1P01B8KE [0,1,0,0,0,1|2,0,0]=4 869 B11R1.17 CCNCc1ccccc1C 1P00EL3S [0,1,0,0,0,1|2,0,0]=4 870 B11R1.17 CCNCc1ccccc1C 1P00J2C5 [0,1,0,0,0,1|2,0,0]=4 871 B11R1.17 CCNCc1ccccc1Cl 1P00EEQM [0,1,0,0,0,1|2,0,0]=4 872 B11R1.17 CCNCc1ccccc1Cl 1P00J256 [0,1,0,0,0,1|2,0,0]=4 873 B11R1.17 CCNCc1ccccc1F 1P00EEO8 [0,1,0,0,0,1|2,0,0]=4 874 B11R1.17 CCNCc1ccccc1F 1P00J27A [0,1,0,0,0,1|2,0,0]=4 875 B11R1.17 CCNCc1ccccc1N 1P01C4DL [0,1,0,0,0,1|2,0,0]=4 876 B11R1.17 CCNCc1ccccc1O 1P0094L1 [0,1,0,0,0,1|2,0,0]=4 877 B11R1.17 CCOCc1ccccc1N 1P019VHZ [0,1,0,0,0,1|1,0,0]=3 878 B11R1.17 CCSCc1cccnc1N 1P01BIEL [0,1,0,0,0,1|1,1,0]=4 879 B11R1.17 Cc1nccnc1CCCC 1P001RXN [0,1,0,0,0,1|2,0,0]=4 880 B11R1.24 CCCCc1cc(Br)ccn1 1P028SE8 [0,1,0,0,0,1|2,0,0]=4 881 B11R1.24 CCCCc1cc(Cl)ncn1 1P01AQQA [0,1,0,0,0,1|2,0,0]=4 882 B11R1.24 CCCCc1cccc(c1)Br 1P00IA9J [0,1,0,0,0,1|2,0,0]=4 883 B11R1.24 CCCCc1cccc(c1)F 1P007R6O [0,1,0,0,0,1|2,0,0]=4 884 B11R1.24 CCCCc1cccc(c1)I 1P01FG1G [0,1,0,0,0,1|2,0,0]=4 885 B11R1.24 CCCCc1cccc(c1)N 1P00E17Q [0,1,0,0,0,1|2,0,0]=4 886 B11R1.24 CCCCc1cccc(n1)F 1P01EXUY [0,1,0,0,0,1|2,0,0]=4 887 B11R1.24 CCCCc1cccc(n1)N 1P00IJG7 [0,1,0,0,0,1|2,0,0]=4 888 B11R1.24 CCCCc1ccnc(n1)N 1P01A3KC [0,1,0,0,0,1|2,0,0]=4 889 B11R1.24 CCNCc1cccc(=O)[nH]1 1P01C9UC [0,1,0,0,0,1|2,0,0]=4 890 B11R1.24 CCNCc1cccc(c1)Br 1P003TGE [0,1,0,0,0,1|2,0,0]=4 891 B11R1.24 CCNCc1cccc(c1)Br 1P00J289 [0,1,0,0,0,1|2,0,0]=4 892 B11R1.24 CCNCc1cccc(c1)C 1P019M65 [0,1,0,0,0,1|2,0,0]=4 893 B11R1.24 CCNCc1cccc(c1)C 1P028BRI [0,1,0,0,0,1|2,0,0]=4 894 B11R1.24 CCNCc1cccc(c1)Cl 1P00CM77 [0,1,0,0,0,1|2,0,0]=4 895 B11R1.24 CCNCc1cccc(c1)Cl 1P01DEFU [0,1,0,0,0,1|2,0,0]=4 896 B11R1.24 CCNCc1cccc(c1)F 1P003TGG [0,1,0,0,0,1|2,0,0]=4 897 B11R1.24 CCNCc1cccc(c1)F 1P01OSH9 [0,1,0,0,0,1|2,0,0]=4 898 B11R1.24 CCNCc1cccc(c1)O 1P003J8B [0,1,0,0,0,1|2,0,0]=4 899 B11R1.24 CCNCc1cccc(n1)C 1P00DJ4L [0,1,0,0,0,1|2,0,0]=4 900 B11R1.24 CCNCc1cncc(c1)Br 1P00A0MK [0,1,0,0,0,1|2,0,0]=4 901 B11R1.24 CCOCc1cccc(c1)Br 1P01DM58 [0,1,0,0,0,1|1,0,0]=3 902 B11R1.24 CCOCc1cccc(c1)N 1P01A9Y1 [0,1,0,0,0,1|1,0,0]=3 903 B11R1.24 CCSCc1cccc(c1)N 1P01ALCJ [0,1,0,0,0,1|1,1,0]=4 904 B11R1.24 CCSCc1ccnc(c1)N 1P01A3TH [0,1,0,0,0,1|1,1,0]=4 905 B11R1.28 BrCCCCc1ccccc1 1P001243 [0,1,0,0,0,1|2,0,0]=4 906 B11R1.28 BrCCOCc1ccccc1 1P001E9R [0,1,0,0,0,1|1,0,0]=3 907 B11R1.28 BrCCSCc1ccccc1 1P01AMPW [0,1,0,0,0,1|1,1,0]=4 908 B11R1.28 C#CCOCc1ccccc1 1P0038C3 [0,1,0,0,0,1|1,0,1]=4 909 B11R1.28 C=CCOCc1ccccc1 1P001DZF [0,1,0,0,0,1|1,0,1]=4 910 B11R1.28 CCCCCc1ccccc1 1P003F3E [0,1,0,0,0,1|2,0,0]=4 911 B11R1.28 CCCCCc1ccccn1 1P002M24 [0,1,0,0,0,1|2,0,0]=4 912 B11R1.28 CCCCCc1cccnc1 1P00228X [0,1,0,0,0,1|2,0,0]=4 913 B11R1.28 CCCCCc1ccncc1 1P002ZCV [0,1,0,0,0,1|2,0,0]=4 914 B11R1.28 CCCCNc1ccccc1 1P0035TY [0,1,0,0,0,1|2,0,0]=4 915 B11R1.28 CCCCNc1ccccn1 1P00CKOP [0,1,0,0,0,1|2,0,0]=4 916 B11R1.28 CCCCNc1cccnc1 1P01BVMQ [0,1,0,0,0,1|2,0,0]=4 917 B11R1.28 CCCCNc1ccncc1 1P00D2IH [0,1,0,0,0,1|2,0,0]=4 918 B11R1.28 CCCCOc1ccccc1 1P003P21 [0,1,0,0,0,1|2,0,0]=4 919 B11R1.28 CCCCOc1ccccn1 1P003I8F [0,1,0,0,0,1|2,0,0]=4 920 B11R1.28 CCCCSc1ccccc1 1P0079TG [0,1,0,0,0,1|2,0,0]=4 921 B11R1.28 CCCNCc1ccccc1 1P00296T [0,1,0,0,0,1|2,0,0]=4 922 B11R1.28 CCCNCc1ccccn1 1P006V7Q [0,1,0,0,0,1|2,0,0]=4 923 B11R1.28 CCCNCc1ccccn1 1P00JTXU [0,1,0,0,0,1|2,0,0]=4 924 B11R1.28 CCCNCc1cccnc1 1P002B71 [0,1,0,0,0,1|2,0,0]=4 925 B11R1.28 CCCNCc1cccnc1 1P0288SO [0,1,0,0,0,1|2,0,0]=4 926 B11R1.28 CCCNCc1ccncc1 1P00654U [0,1,0,0,0,1|2,0,0]=4 927 B11R1.28 CCCNCc1ccncc1 1P00JTXY [0,1,0,0,0,1|2,0,0]=4 928 B11R1.28 CCNCCc1ccccc1 1P00ELT2 [0,1,0,0,0,1|2,0,0]=4 929 B11R1.28 CCNCCc1ccccc1 1P019M64 [0,1,0,0,0,1|2,0,0]=4 930 B11R1.28 CCNCCc1ccccn1 1P003THI [0,1,0,0,0,1|2,0,0]=4 931 B11R1.28 CCNOCc1ccccc1 1P002G3E [0,1,0,0,0,1|1,0,0]=3 932 B11R1.28 CCOC=Nc1ccncc1 1P001XK1 [0,1,0,0,0,1|1,0,1]=4 933 B11R1.28 CCOCCc1ccccc1 1P00AP6J [0,1,0,0,0,1|1,0,0]=3 934 B11R1.28 CCOCCc1ccccn1 1P002WIS [0,1,0,0,0,1|1,0,0]=3 935 B11R1.28 CCONCc1ccccc1 1P01C29H [0,1,0,0,0,1|1,0,0]=3 936 B11R1.28 CCO\C=N\c1ccccc1 1P003QWU [0,1,0,0,0,1|1,0,1]=4 937 B11R1.28 CNCCCc1ccccc1 1P002O7F [0,1,0,0,0,1|2,0,0]=4 938 B11R1.28 CNCCCc1ccccn1 1P001OQK [0,1,0,0,0,1|2,0,0]=4 939 B11R1.28 ClCCCCc1ccccc1 1P003EOX [0,1,0,0,0,1|2,0,0]=4 940 B11R1.28 ClCCCCc1ccncc1 1P001M6V [0,1,0,0,0,1|2,0,0]=4 941 B11R1.28 ClCCCCc1ccncc1 1P003KJL [0,1,0,0,0,1|2,0,0]=4 942 B11R1.28 ClCCNCc1ccccc1 1P00EA7Z [0,1,0,0,0,1|2,0,0]=4 943 B11R1.28 ClCCOCc1ccccc1 1P003OK8 [0,1,0,0,0,1|1,0,0]=3 944 B11R1.28 ClCCSCc1ccccc1 1P00DGAK [0,1,0,0,0,1|1,1,0]=4 945 B11R1.28 FCCNCc1ccccc1 1P027TSS [0,1,0,0,0,1|2,0,0]=4 946 B11R1.28 ICCCCc1ccccc1 1P01J3BS [0,1,0,0,0,1|2,0,0]=4 947 B11R1.28 ICCOCc1ccccc1 1P003EH4 [0,1,0,0,0,1|1,0,0]=3 948 B11R1.28 N#CCOCc1ccccc1 1P0080MM [0,1,0,0,0,1|1,0,1]=4 949 B11R1.28 NCCCCc1ccccc1 1P0010R7 [0,1,0,0,0,1|2,0,0]=4 950 B11R1.28 NCCCCc1ccccc1 1P00C3J1 [0,1,0,0,0,1|2,0,0]=4 951 B11R1.28 NCCCCc1ccccn1 1P00C6I4 [0,1,0,0,0,1|2,0,0]=4 952 B11R1.28 NCCCCc1cccnc1 1P00G66Q [0,1,0,0,0,1|2,0,0]=4 953 B11R1.28 NCCCCc1ccncc1 1P0286VO [0,1,0,0,0,1|2,0,0]=4 954 B11R1.28 NCCNCc1ccccc1 1P003T8D [0,1,0,0,0,1|2,0,0]=4 955 B11R1.28 NCCNCc1ccccn1 1P002KPF [0,1,0,0,0,1|2,0,0]=4 956 B11R1.28 NCCNCc1ccccn1 1P027IZJ [0,1,0,0,0,1|2,0,0]=4 957 B11R1.28 NCCOCc1ccccc1 1P00381B [0,1,0,0,0,1|1,0,0]=3 958 B11R1.28 NCCOCc1ccccc1 1P003H25 [0,1,0,0,0,1|1,0,0]=3 959 B11R1.28 NCCSCc1ccccc1 1P003UO3 [0,1,0,0,0,1|1,1,0]=4 960 B11R1.28 NCCSCc1ccccc1 1P008VQA [0,1,0,0,0,1|1,1,0]=4 961 B11R1.28 O=CCOCc1ccccc1 1P0036FA [0,1,0,0,0,1|1,0,1]=4 962 B11R1.28 OCCCCc1ccccc1 1P0034LL [0,1,0,0,0,1|2,0,0]=4 963 B11R1.28 OCCCCc1ccccn1 1P0027H1 [0,1,0,0,0,1|2,0,0]=4 964 B11R1.28 OCCCCc1cccnc1 1P003KI6 [0,1,0,0,0,1|2,0,0]=4 965 B11R1.28 OCCCCc1ccncc1 1P00349S [0,1,0,0,0,1|2,0,0]=4 966 B11R1.28 OCCNCc1ccccc1 1P0035SZ [0,1,0,0,0,1|2,0,0]=4 967 B11R1.28 OCCNCc1cccnc1 1P00FBHE [0,1,0,0,0,1|2,0,0]=4 968 B11R1.28 OCCOCc1ccccc1 1P003A8A [0,1,0,0,0,1|1,0,0]=3 969 B11R1.28 OCCOCc1ccccc1 1P01GJYO [0,1,0,0,0,1|1,0,0]=3 970 B11R1.28 OCCSCc1ccccc1 1P00BY6S [0,1,0,0,0,1|1,1,0]=4 971 B11R1.28 OCCSCc1ccccn1 1P01B705 [0,1,0,0,0,1|1,1,0]=4 972 B11R1.28 OCCSCc1ncccn1 1P01B75Z [0,1,0,0,0,1|1,1,0]=4 973 B11R1.28 SCCCCc1ccccc1 1P01ADO5 [0,1,0,0,0,1|2,0,0]=4 974 B11R1.40 CCC(=O)Cc1ccccc1 1P000346 [0,1,0,0,0,1|2,0,0]=4 975 B11R1.40 CCC(=O)Cc1cccnc1 1P01BIVT [0,1,0,0,0,1|2,0,0]=4 976 B11R1.40 CCC(Cc1ccccc1)Br 1P00572U [0,1,0,0,0,1|2,0,0]=4 977 B11R1.40 CCC(Cc1ccccc1)O 1P003F2N [0,1,0,0,0,1|2,0,0]=4 978 B11R1.40 CCC(Cc1ccncc1)Br 1P01B1VS [0,1,0,0,0,1|2,0,0]=4 979 B11R1.40 CCC(Cc1ccncc1)O 1P01AG8M [0,1,0,0,0,1|2,0,0]=4 980 B11R1.40 CCN(Cc1ccccc1)C 1P003T8U [0,1,0,0,0,1|2,0,0]=4 981 B11R1.40 CC[C@@H](Cc1ccccc1)N 1P00IFAA [0,1,0,0,0,1|2,0,0]=4 982 B11R1.40 CC[C@@H](Cc1ccccc1)O 1P019SKO [0,1,0,0,0,1|2,0,0]=4 983 B11R1.40 CC[C@H](Cc1ccccc1)N 1P028P0C [0,1,0,0,0,1|2,0,0]=4 984 B11R1.40 CC[C@H](Cc1ccccc1)O 1P019SKN [0,1,0,0,0,1|2,0,0]=4 985 B11R1.91 CC(=O)OCc1ccccc1 1P001CDM [0,1,0,0,0,1|1,0,1]=4 986 B11R1.91 CC(=O)OCc1ccccn1 1P000353 [0,1,0,0,0,1|1,0,1]=4 987 B11R1.91 CC(=O)OCc1cccnc1 1P00036I [0,1,0,0,0,1|1,0,1]=4 988 B11R1.91 CC(CCc1ccccc1)Br 1P018SBF [0,1,0,0,0,1|2,0,0]=4 989 B11R1.91 CC(CCc1ccccc1)C 1P002A7L [0,1,0,0,0,1|2,0,0]=4 990 B11R1.91 CC(CCc1ccccc1)O 1P002NPI [0,1,0,0,0,1|2,0,0]=4 991 B11R1.91 CC(CCc1ccccn1)N 1P028K2L [0,1,0,0,0,1|2,0,0]=4 992 B11R1.91 CC(CCc1ccccn1)O 1P01EMUJ [0,1,0,0,0,1|2,0,0]=4 993 B11R1.91 CC(CCc1cccnc1)N 1P01ZZDK [0,1,0,0,0,1|2,0,0]=4 994 B11R1.91 CC(CCc1nccnc1)C 1P003A0B [0,1,0,0,0,1|2,0,0]=4 995 B11R1.91 CC(NCc1ccccc1)C 1P0006PT [0,1,0,0,0,1|2,0,0]=4 996 B11R1.91 CC(NCc1ccccc1)C 1P01LIWH [0,1,0,0,0,1|2,0,0]=4 997 B11R1.91 CC(NCc1ccccn1)C 1P00F2A1 [0,1,0,0,0,1|2,0,0]=4 998 B11R1.91 CC(NCc1cccnc1)C 1P002B72 [0,1,0,0,0,1|2,0,0]=4 999 B11R1.91 CC(NCc1cccnc1)C 1P00J3HX [0,1,0,0,0,1|2,0,0]=4 1000 B11R1.91 CC(NCc1ccncc1)C 1P00ICGY [0,1,0,0,0,1|2,0,0]=4 1001 B11R1.91 CC(OCc1ccccc1)C 1P01EV13 [0,1,0,0,0,1|1,0,0]=3 1002 B11R1.91 C[C@@H](CCc1ccccc1)O 1P003CY4 [0,1,0,0,0,1|2,0,0]=4 1003 B11R1.91 C[C@H](CCc1ccccc1)N 1P02842V [0,1,0,0,0,1|2,0,0]=4 1004 B11R1.91 C[C@H](CCc1ccccc1)O 1P003CJW [0,1,0,0,0,1|2,0,0]=4 1005 B11R1.15 CC(n1cc(cn1)Br)OCC 1P0007UW [0,2,0,0,0,0|2,0,0]=4 1006 B11R1.15 CC(n1cc(cn1)I)OCC 1P00ECWJ [0,2,0,0,0,0|2,0,0]=4 1007 B11R1.15 CCNC(=O)c1ccc(o1)Br 1P00DB8N [0,2,0,0,0,0|1,0,1]=4 1008 B11R1.15 CCOC(=O)c1[nH]cc(c1)C 1P003QS1 [0,2,0,0,0,0|1,0,1]=4 1009 B11R1.15 CCOC(=O)c1c[nH]c(=O)o1 1P000G5O [0,2,0,0,0,0|1,0,1]=4 1010 B11R1.15 CCOC(=O)c1cc(c[nH]1)Br 1P003QQJ [0,2,0,0,0,0|1,0,1]=4 1011 B11R1.15 CCOC(=O)c1cc(c[nH]1)N 1P006347 [0,2,0,0,0,0|1,0,1]=4 1012 B11R1.15 CCOC(=O)c1cc(c[nH]1)N 1P019THB [0,2,0,0,0,0|1,0,1]=4 1013 B11R1.15 CCOC(=O)c1cc(cs1)Br 1P00F5LY [0,2,0,0,0,0|0,1,1]=4 1014 B11R1.15 CCOC(=O)c1cc(no1)Br 1P0038TB [0,2,0,0,0,0|1,0,1]=4 1015 B11R1.15 CCOC(=O)c1cc(no1)N 1P0029GM [0,2,0,0,0,0|1,0,1]=4 1016 B11R1.15 CCOC(=O)c1ccc([nH]1)Br 1P00374L [0,2,0,0,0,0|1,0,1]=4 1017 B11R1.15 CCOC(=O)c1ccc([nH]1)C 1P0034RD [0,2,0,0,0,0|1,0,1]=4 1018 B11R1.15 CCOC(=O)c1ccc([nH]1)N 1P005B8O [0,2,0,0,0,0|1,0,1]=4 1019 B11R1.15 CCOC(=O)c1ccc(o1)Br 1P003QT1 [0,2,0,0,0,0|0,0,1]=3 1020 B11R1.15 CCOC(=O)c1ccc(o1)C 1P001CFM [0,2,0,0,0,0|0,0,1]=3 1021 B11R1.15 CCOC(=O)c1ccc(s1)Br 1P003QT2 [0,2,0,0,0,0|0,1,1]=4 1022 B11R1.15 CCOC(=O)c1ccc(s1)C 1P00F09P [0,2,0,0,0,0|0,1,1]=4 1023 B11R1.15 CCOC(=O)c1ccc(s1)Cl 1P00EA6F [0,2,0,0,0,0|0,1,1]=4 1024 B11R1.15 CCOC(=O)c1ccc(s1)N 1P01M5PF [0,2,0,0,0,0|0,1,1]=4 1025 B11R1.15 CCOC(=O)c1cnc(o1)Br 1P0039GA [0,2,0,0,0,0|1,0,1]=4 1026 B11R1.15 CCOC(=O)c1cnc(o1)Cl 1P004JXY [0,2,0,0,0,0|1,0,1]=4 1027 B11R1.15 CCOC(=O)c1cnc(o1)I 1P01K0TT [0,2,0,0,0,0|1,0,1]=4 1028 B11R1.15 CCOC(=O)c1cnc(o1)N 1P000AEH [0,2,0,0,0,0|1,0,1]=4 1029 B11R1.15 CCOC(=O)c1nc(co1)Br 1P024U13 [0,2,0,0,0,0|1,0,1]=4 1030 B11R1.15 CCOC(=O)c1ncc(o1)C 1P00I6V6 [0,2,0,0,0,0|1,0,1]=4 1031 B11R1.15 CCOC(=O)c1occ(n1)C 1P006U1G [0,2,0,0,0,0|1,0,1]=4 1032 B11R1.15 CCOC(=O)c1onc(c1)C 1P00IBNX [0,2,0,0,0,0|1,0,1]=4 1033 B11R1.15 CCOC(=O)c1scc(c1)C 1P009Z38 [0,2,0,0,0,0|0,1,1]=4 1034 B11R1.15 COCC(c1ccc(o1)C)N 1P019TYA [0,2,0,0,0,0|2,0,0]=4 1035 B11R1.15 Cc1ccc(o1)[C@@H](CCO)N 1P01XCAX [0,2,0,0,0,0|2,0,0]=4 1036 B11R1.29 C=CCOC(=O)c1ccco1 1P003O66 [0,2,0,0,0,0|0,0,2]=4 1037 B11R1.29 CNCCC(c1cccs1)O 1P000D6M [0,2,0,0,0,0|1,1,0]=4 1038 B11R1.29 CNCC[C@@H](c1cccs1)O 1P000D6N [0,2,0,0,0,0|1,1,0]=4 1039 B11R1.29 CNCC[C@H](c1cccs1)O 1P000D6L [0,2,0,0,0,0|1,1,0]=4 1040 B11R1.29 COCCC(c1ccco1)N 1P01A5YQ [0,2,0,0,0,0|1,0,0]=3 1041 B11R1.29 NCCNC(=O)c1ccco1 1P00G3IC [0,2,0,0,0,0|1,0,1]=4 1042 B11R1.31 COC(=O)[C@@H](c1ccco1)O 1P024Z15 [0,2,0,0,0,0|2,0,0]=4 1043 B11R1.31 COC(=O)[C@H](c1ccco1)O 1P024Z18 [0,2,0,0,0,0|2,0,0]=4 1044 B11R1.77 CC(CC(=O)c1ccco1)N 1P01A04X [0,2,0,0,0,0|1,0,1]=4 1045 B11R1.77 CC(CC(c1ccco1)O)N 1P01A05V [0,2,0,0,0,0|1,0,0]=3 1046 B11R1.77 CC(CC(c1cccs1)N)C 1P018OPW [0,2,0,0,0,0|1,1,0]=4 1047 B11R1.77 CC(CC(c1cccs1)O)N 1P01A2FF [0,2,0,0,0,0|1,1,0]=4 1048 B11R1.77 CN(CC(c1ccco1)N)C 1P01BFWX [0,2,0,0,0,0|2,0,0]=4 1049 B11R1.199 CCOC(=O)c1[nH]ccc1C 1P00CB7F [0,2,0,0,0,0|1,0,1]=4 1050 B11R1.199 CCOC(=O)c1[nH]ccc1F 1P001Y9M [0,2,0,0,0,0|1,0,1]=4 1051 B11R1.199 CCOC(=O)c1[nH]ccc1N 1P0038LX [0,2,0,0,0,0|1,0,1]=4 1052 B11R1.199 CCOC(=O)c1[nH]ccc1N 1P003QNX [0,2,0,0,0,0|1,0,1]=4 1053 B11R1.199 CCOC(=O)c1cccn1C 1P006XKT [0,2,0,0,0,0|1,0,1]=4 1054 B11R1.199 CCOC(=O)c1cccn1N 1P000HSI [0,2,0,0,0,0|1,0,1]=4 1055 B11R1.199 CCOC(=O)c1occc1Br 1P00CMKF [0,2,0,0,0,0|0,0,1]=3 1056 B11R1.199 CCOC(=O)c1occc1C 1P01C62Z [0,2,0,0,0,0|0,0,1]=3 1057 B11R1.199 CCOC(=O)c1occc1N 1P01KWJY [0,2,0,0,0,0|0,0,1]=3 1058 B11R1.199 CCOC(=O)c1ocnc1Br 1P000P9I [0,2,0,0,0,0|1,0,1]=4 1059 B11R1.199 CCOC(=O)c1ocnc1C 1P002A70 [0,2,0,0,0,0|1,0,1]=4 1060 B11R1.199 CCOC(=O)c1sccc1N 1P007IW3 [0,2,0,0,0,0|0,1,1]=4 1061 B11R1.27 CCCCCC1OC(=O)C=C1 1P00389N [0,2,0,0,0,0|1,0,1]=4 1062 B11R1.27 CCCCCc1ccc(s1)Br 1P00BNTS [0,2,0,0,0,0|1,1,0]=4 1063 B11R1.27 CCOCCc1cc(on1)N 1P01BALG [0,2,0,0,0,0|2,0,0]=4 1064 B11R1.27 Cc1ccc(o1)CNCCO 1P00BE2C [0,2,0,0,0,0|1,0,0]=3 1065 B11R1.27 NCCCCc1ccc(s1)Cl 1P01B9I6 [0,2,0,0,0,0|1,1,0]=4 1066 B11R1.27 NCCSCc1ccc(s1)Br 1P019MFX [0,2,0,0,0,0|0,2,0]=4 1067 B11R1.27 NCCSCc1ccc(s1)Br 1P019OP7 [0,2,0,0,0,0|0,2,0]=4 1068 B11R1.27 OCCNCc1cc(cs1)Br 1P01BEC2 [0,2,0,0,0,0|1,1,0]=4 1069 B11R1.27 OCCNCc1ccc(s1)Br 1P01BE5I [0,2,0,0,0,0|1,1,0]=4 1070 B11R1.39 COC(=O)Cc1ccc(o1)C 1P01C592 [0,2,0,0,0,0|2,0,0]=4 1071 B11R1.75 CC(=O)OCc1ncc(o1)C 1P01A2JM [0,2,0,0,0,0|1,0,1]=4 1072 B11R1.75 CC(CCc1ccc(o1)C)N 1P019SHK [0,2,0,0,0,0|1,0,0]=3 1073 B11R1.75 CC(NCc1ccc(o1)C)C 1P019W9P [0,2,0,0,0,0|1,0,0]=3 1074 B11R1.75 CC(NCc1ccc(s1)C)C 1P019XVV [0,2,0,0,0,0|1,1,0]=4 1075 B11R1.214 CCCCc1ccc(o1)C=O 1P01OZ91 [0,2,0,0,0,0|1,0,0]=3 1076 B11R1.214 CCCCc1ccc(s1)C=O 1P00IKNK [0,2,0,0,0,0|1,1,0]=4 1077 B11R1.214 CCOCc1ccc(o1)C=O 1P002FWP [0,2,0,0,0,0|0,0,0]=2 1078 B11R1.214 CCOCc1onc(n1)CCl 1P028HW5 [0,2,0,0,0,0|2,0,0]=4 1079 B11R1.214 CCOCc1onc(n1)CN 1P028DLT [0,2,0,0,0,0|2,0,0]=4 1080 B11R1.214 CCOCc1scc(n1)CCl 1P01DQSI [0,2,0,0,0,0|1,1,0]=4 1081 B11R1.214 CCSCc1ccc(o1)CN 1P01BULD [0,2,0,0,0,0|0,1,0]=3 1082 B11R1.4 C=CCNCCc1ccco1 1P01A5SK [0,2,0,0,0,0|1,0,1]=4 1083 B11R1.4 CC#CCNCc1ccco1 1P009NO8 [0,2,0,0,0,0|1,0,0]=3 1084 B11R1.4 CCCCCCc1ccc[nH]1 1P003AZI [0,2,0,0,0,0|2,0,0]=4 1085 B11R1.4 CCCCCCc1ccco1 1P0033SP [0,2,0,0,0,0|1,0,0]=3 1086 B11R1.4 CCCCCCc1cccs1 1P002H16 [0,2,0,0,0,0|1,1,0]=4 1087 B11R1.4 CCCCNCc1ccco1 1P00J4GU [0,2,0,0,0,0|1,0,0]=3 1088 B11R1.4 CCCNCCc1cccs1 1P01ACR2 [0,2,0,0,0,0|1,1,0]=4 1089 B11R1.4 COCCNCc1ccco1 1P019M8E [0,2,0,0,0,0|1,0,0]=3 1090 B11R1.4 COCCNCc1cccs1 1P004VOL [0,2,0,0,0,0|1,1,0]=4 1091 B11R1.4 COCCNCc1cccs1 1P00J1GA [0,2,0,0,0,0|1,1,0]=4 1092 B11R1.4 COCCOCc1cnco1 1P0283KZ [0,2,0,0,0,0|1,0,0]=3 1093 B11R1.4 N#CCCNCc1ccco1 1P00FAYT [0,2,0,0,0,0|1,0,0]=3 1094 B11R1.4 NCCCCCc1cccs1 1P028B5U [0,2,0,0,0,0|1,1,0]=4 1095 B11R1.4 OCCCNCc1ccco1 1P009Y6R [0,2,0,0,0,0|1,0,0]=3 1096 B11R1.4 OCCCNCc1cccs1 1P00J4IB [0,2,0,0,0,0|1,1,0]=4 1097 B11R1.4 OCCOCCn1cccn1 1P01AB0W [0,2,0,0,0,0|2,0,0]=4 1098 B11R1.25 BrCC(=O)NCc1ccco1 1P004054 [0,2,0,0,0,0|1,0,1]=4 1099 B11R1.25 CCC(=O)OCc1ccco1 1P003R64 [0,2,0,0,0,0|0,0,0]=2 1100 B11R1.25 CCC(=O)SCc1ccco1 1P003R66 [0,2,0,0,0,0|0,1,0]=3 1101 B11R1.25 CNC(=S)NCc1ccco1 1P01AAPG [0,2,0,0,0,0|1,0,1]=4 1102 B11R1.25 CNC(CCc1ccco1)C 1P00AQ8M [0,2,0,0,0,0|1,0,0]=3 1103 B11R1.25 ClCC(=O)NCc1ccco1 1P00BZYO [0,2,0,0,0,0|1,0,1]=4 1104 B11R1.25 NCC(=O)NCc1ccco1 1P0098JF [0,2,0,0,0,0|1,0,1]=4 1105 B11R1.30 C=CCN(Cc1ccco1)C 1P01C7TL [0,2,0,0,0,0|1,0,1]=4 1106 B11R1.30 CCCC(=O)Cc1ccco1 1P002KI0 [0,2,0,0,0,0|1,0,0]=3 1107 B11R1.30 CCNC(Cc1cccs1)C 1P01XHUD [0,2,0,0,0,0|1,1,0]=4 1108 B11R1.30 CCOC(=O)Cc1c[nH]cn1 1P01BKQW [0,2,0,0,0,0|2,0,0]=4 1109 B11R1.30 CCOC(=O)Cc1c[nH]cn1 1P028MTA [0,2,0,0,0,0|2,0,0]=4 1110 B11R1.30 CCOC(=O)Cc1cc[nH]n1 1P008KEZ [0,2,0,0,0,0|2,0,0]=4 1111 B11R1.30 CCOC(=O)Cc1ccc[nH]1 1P006ZOW [0,2,0,0,0,0|1,0,0]=3 1112 B11R1.30 CCOC(=O)Cc1cccs1 1P00E9ZT [0,2,0,0,0,0|0,1,0]=3 1113 B11R1.30 CCOC(=O)Cc1cscc1 1P0035DM [0,2,0,0,0,0|2,0,0]=4 1114 B11R1.30 CCOC(=O)Cc1cscn1 1P000QVV [0,2,0,0,0,0|2,0,0]=4 1115 B11R1.30 CCOC(=O)Cc1ncc[nH]1 1P005MCC [0,2,0,0,0,0|2,0,0]=4 1116 B11R1.30 CCOC(=O)Cc1nccs1 1P001HE0 [0,2,0,0,0,0|1,1,0]=4 1117 B11R1.30 CCOC(=O)Cn1cccn1 1P0006NM [0,2,0,0,0,0|2,0,0]=4 1118 B11R1.30 CSCC(Cc1cccs1)N 1P028JG9 [0,2,0,0,0,0|1,1,0]=4 1119 B11R1.30 NCCC(Cc1cccs1)C 1P027XXV [0,2,0,0,0,0|1,1,0]=4 1120 B11R1.172 CC(CNCc1ccco1)C 1P00ECIE [0,2,0,0,0,0|1,0,0]=3 1121 B11R1.172 CC(CNCc1cccs1)C 1P00J4IF [0,2,0,0,0,0|1,1,0]=4 1122 B11R1.172 FC(CNCc1ccco1)F 1P00JGI1 [0,2,0,0,0,0|1,0,0]=3 1123 B11R1.172 OC(=O)CSCc1ccco1 1P0058Y9 [0,2,0,0,0,0|0,1,1]=4 1124 B11R1.172 [O-]C(=O)COCc1ccco1 1P019XKV [0,2,0,0,0,0|0,0,1]=3 1125 B11R1.180 CCCNCc1cccn1C 1P00JTW5 [0,2,0,0,0,0|2,0,0]=4 1126 B11R1.180 OCCNCc1sccc1C 1P008EFL [0,2,0,0,0,0|1,1,0]=4 1127 B11R1.84 NCC(Cc1ccco1)CO 1P00J2UW [0,2,0,0,0,0|2,0,0]=4 1128 B11R1.84 OCC(Cc1ccco1)C#N 1P019L1L [0,2,0,0,0,0|2,0,0]=4 1129 B11R1.90 CC(CCc1cccn1C)N 1P019SAR [0,2,0,0,0,0|2,0,0]=4 1130 B11R1.90 CC(NCc1cccn1C)C 1P00JTSY [0,2,0,0,0,0|2,0,0]=4 1131 B11R1.90 CC(NCc1sccc1C)C 1P00JTT3 [0,2,0,0,0,0|1,1,0]=4 1132 B11R1.90 CC(NCc1sccc1C)C 1P00JTUA [0,2,0,0,0,0|1,1,0]=4 1133 B11R1.510 CC(NCc1ccco1)(C)C 1P00J4J8 [0,2,0,0,0,0|1,0,0]=3 1134 B9R1.2 CCc1cccc(c1)O 1P003JVD [0,0,1,1,0,0|1,0,1]=4 1135 B9R1.69 CC1CCC(=CC1=O)O 1P00AF9P [0,0,1,1,0,0|2,0,0]=4 1136 B9R2.2 C1CC1c2[nH]cnc2 1P00IGAT [1,0,0,1,0,0|2,0,0]=4 1137 B9R2.2 C1CC1c2cc[nH]n2 1P0001GU [1,0,0,1,0,0|2,0,0]=4 1138 B9R2.2 C1CC1c2ccn[nH]2 1P003N6C [1,0,0,1,0,0|2,0,0]=4 1139 B9R2.2 C1CC1c2ncoc2 1P01B5RR [1,0,0,1,0,0|2,0,0]=4 1140 B9R2.2 C1CC1c2ncsc2 1P003LQO [1,0,0,1,0,0|2,0,0]=4 1141 B9R2.2 C1CC1c2ocnc2 1P01B6Z7 [1,0,0,1,0,0|1,0,0]=3 1142 B9R2.2 C1CC1c2ocnn2 1P028AEH [1,0,0,1,0,0|2,0,0]=4 1143 B9R2.2 C1CC1c2scnc2 1P027TX6 [1,0,0,1,0,0|1,1,0]=4 1144 B9R2.2 c1cnc([nH]1)C2CC2 1P0033QT [1,0,0,1,0,0|2,0,0]=4 1145 B9R2.2 c1cnn(c1)C2CC2 1P000GUI [1,0,0,1,0,0|2,0,0]=4 1146 B9R2.2 c1cnn(c1)C2CC2 1P027YLP [1,0,0,1,0,0|2,0,0]=4 1147 B9R2.2 c1coc(c1)C2CC2 1P01C3DJ [1,0,0,1,0,0|0,0,0]=2 1148 B9R2.2 c1coc(n1)C2CC2 1P01BWAC [1,0,0,1,0,0|1,0,0]=3 1149 B9R2.2 c1csc(c1)C2CC2 1P002YYV [1,0,0,1,0,0|0,1,0]=3 1150 B9R2.2 c1csc(n1)C2CC2 1P01B691 [1,0,0,1,0,0|1,1,0]=4 1151 B9R2.2 c1occ(c1)C2CC2 1P01DW54 [1,0,0,1,0,0|2,0,0]=4 1152 B9R2.2 c1scc(c1)C2CC2 1P01DWRY [1,0,0,1,0,0|2,0,0]=4 1153 B9R2.2 c1scc(c1)C2CO2 1P005LY2 [1,0,0,1,0,0|2,0,0]=4 1154 B9R2.3 C1Cc2c(C1)c[nH]c2 1P028OGU [1,0,0,1,0,0|2,0,0]=4 1155 B9R2.3 C1Cc2c(C1)cn[nH]2 1P003E29 [1,0,0,1,0,0|2,0,0]=4 1156 B9R2.3 C1Cc2c(C1)cn[nH]2 1P00J2JE [1,0,0,1,0,0|2,0,0]=4 1157 B9R2.3 C1Cc2c(C1)nc[nH]2 1P00HAT4 [1,0,0,1,0,0|2,0,0]=4 1158 B9R2.3 C1Cc2c(C1)ncs2 1P00EGBX [1,0,0,1,0,0|1,1,0]=4 1159 B9R2.3 C1Cn2c(C1)ccn2 1P0084OX [1,0,0,1,0,0|2,0,0]=4 1160 B9R2.3 C1Cn2c(C1)cnc2 1P01B7L6 [1,0,0,1,0,0|2,0,0]=4 1161 B9R2.3 C1Cn2c(C1)ncc2 1P00ED6Y [1,0,0,1,0,0|2,0,0]=4 1162 B9R2.3 O1Cc2c(C1)cn[nH]2 1P01JUJ4 [1,0,0,1,0,0|2,0,0]=4 1163 B9R2.173 C1CC2(C1)C=CCO2 1P028I28 [1,0,0,1,0,0|0,0,2]=4 1164 B11R2.1 CC1CCc2c1cccc2 1P003AUM [0,0,0,1,0,1|2,0,0]=4 1165 B11R2.1 CC1CCc2c1nccn2 1P006VKY [0,0,0,1,0,1|2,0,0]=4 1166 B11R2.1 CC1NCc2c1cccc2 1P01A6S1 [0,0,0,1,0,1|2,0,0]=4 1167 B11R2.1 C[C@@H]1NCc2c1cccc2 1P01B7VV [0,0,0,1,0,1|2,0,0]=4 1168 B11R2.1 C[C@H]1NCc2c1cccc2 1P01B7MO [0,0,0,1,0,1|2,0,0]=4 1169 B11R2.4 CC1CC1c2ccccc2 1P00QGSY [0,0,0,1,0,1|2,0,0]=4 1170 B11R2.4 CC1CC1c2ccncc2 1P01EYE6 [0,0,0,1,0,1|2,0,0]=4 1171 B11R2.4 CC1NC1c2ccccc2 1P005T2D [0,0,0,1,0,1|2,0,0]=4 1172 B11R2.20 C1CCc2c(C1)cccc2 1P000PGN [0,0,0,1,0,1|2,0,0]=4 1173 B11R2.20 C1CCc2c(C1)cncc2 1P003MPY [0,0,0,1,0,1|2,0,0]=4 1174 B11R2.20 C1CCc2c(C1)nccc2 1P003MQ0 [0,0,0,1,0,1|2,0,0]=4 1175 B11R2.20 C1CCc2c(C1)nccn2 1P00BXRL [0,0,0,1,0,1|2,0,0]=4 1176 B11R2.20 C1NCc2c(C1)cccn2 1P0038HV [0,0,0,1,0,1|2,0,0]=4 1177 B11R2.20 C1NCc2c(C1)cccn2 1P007N5A [0,0,0,1,0,1|2,0,0]=4 1178 B11R2.20 C1NCc2c(C1)cccn2 1P009D1X [0,0,0,1,0,1|2,0,0]=4 1179 B11R2.20 C1NCc2c(C1)cncn2 1P002GW2 [0,0,0,1,0,1|2,0,0]=4 1180 B11R2.20 C1NCc2c(C1)cncn2 1P005OZT [0,0,0,1,0,1|2,0,0]=4 1181 B11R2.20 C1NCc2c(C1)nccc2 1P003MPT [0,0,0,1,0,1|2,0,0]=4 1182 B11R2.20 C1NCc2c(C1)nccc2 1P00CLBZ [0,0,0,1,0,1|2,0,0]=4 1183 B11R2.20 C1NCc2c(C1)nccc2 1P00IDM2 [0,0,0,1,0,1|2,0,0]=4 1184 B11R2.20 N1CCc2c(C1)cccc2 1P003DQW [0,0,0,1,0,1|2,0,0]=4 1185 B11R2.20 N1CCc2c(C1)ccnc2 1P0038JA [0,0,0,1,0,1|2,0,0]=4 1186 B11R2.20 N1CCc2c(C1)ccnc2 1P0039KI [0,0,0,1,0,1|2,0,0]=4 1187 B11R2.20 N1CCc2c(C1)cncc2 1P00801F [0,0,0,1,0,1|2,0,0]=4 1188 B11R2.20 N1CCc2c(C1)cncc2 1P00DK7R [0,0,0,1,0,1|2,0,0]=4 1189 B11R2.20 N1CCc2c(C1)nccn2 1P00CJQG [0,0,0,1,0,1|2,0,0]=4 1190 B11R2.20 N1CCc2c(C1)nccn2 1P027WTT [0,0,0,1,0,1|2,0,0]=4 1191 B11R2.20 O1CCc2c(C1)cccc2 1P003RK8 [0,0,0,1,0,1|1,0,0]=3 1192 B11R2.20 O1CCc2c(C1)cncc2 1P028XZB [0,0,0,1,0,1|1,0,0]=3 1193 B11R2.20 O1NCc2c(C1)cccc2 1P01BB40 [0,0,0,1,0,1|2,0,0]=4 1194 B11R2.238 C1CC1Cc2ccccc2 1P001XDJ [0,0,0,1,0,1|2,0,0]=4 1195 B11R2.239 C1CC(C1)c2ccccc2 1P00E02O [0,0,0,1,0,1|2,0,0]=4 1196 B11R2.239 C1CC(N1)c2ccccc2 1P007ONK [0,0,0,1,0,1|2,0,0]=4 1197 B11R2.239 C1CC(O1)c2ccccc2 1P00E03O [0,0,0,1,0,1|1,0,0]=3 1198 B11R2.239 C1C[C@H](N1)c2ccccc2 1P028F5A [0,0,0,1,0,1|2,0,0]=4 1199 B11R2.2 C1CNC(C1)c2ccc[nH]2 1P00FA8Q [0,1,0,1,0,0|2,0,0]=4 1200 B11R2.2 C1CNC(C1)c2cccs2 1P00IGHF [0,1,0,1,0,0|1,1,0]=4 1201 B11R2.2 C1CNC(C1)c2ncco2 1P027WA7 [0,1,0,1,0,0|2,0,0]=4 1202 B11R2.2 C1COC(C1)c2cnco2 1P0285PG [0,1,0,1,0,0|1,0,0]=3 1203 B11R2.2 C1COC(C1)c2n[nH]cc2 1P01EKJL [0,1,0,1,0,0|2,0,0]=4 1204 B11R2.2 C1COC(O1)c2cccs2 1P003F5P [0,1,0,1,0,0|0,1,0]=3 1205 B11R2.2 C1COC(O1)c2cscc2 1P001187 [0,1,0,1,0,0|2,0,0]=4 1206 B11R2.2 C1COC(O1)c2nccs2 1P00CD70 [0,1,0,1,0,0|1,1,0]=4 1207 B11R2.2 C1CSC(N1)c2ccco2 1P00D9TN [0,1,0,1,0,0|0,1,0]=3 1208 B11R2.2 C1CSC(N1)c2cccs2 1P007K3J [0,1,0,1,0,0|0,2,0]=4 1209 B11R2.2 C1NCC(C1)c2ccco2 1P00VTYD [0,1,0,1,0,0|1,0,0]=3 1210 B11R2.2 C1NCC(C1)c2ccco2 1P018LNX [0,1,0,1,0,0|1,0,0]=3 1211 B11R2.2 C1NCC(C1)c2cccs2 1P028GZ9 [0,1,0,1,0,0|1,1,0]=4 1212 B11R2.2 C1NCC(C1)c2ccno2 1P028PU1 [0,1,0,1,0,0|2,0,0]=4 1213 B11R2.2 C1NCC(C1)c2ncco2 1P027V9Q [0,1,0,1,0,0|2,0,0]=4 1214 B11R2.2 C1OCC(C1)c2ncc[nH]2 1P01B5BS [0,1,0,1,0,0|2,0,0]=4 1215 B11R2.3 O=C1C=COC12CCCC2 1P01C7LY [0,1,0,1,0,0|1,0,1]=4 1216 B11R2.3 O=C1C=COC12COCC2 1P01EML5 [0,1,0,1,0,0|0,0,1]=3 1217 B11R2.32 NC[C@@H]1C[C@H]1c2cccs2 1P027ZZB [0,1,0,1,0,0|1,1,0]=4 1218 B11R2.32 O=C[C@@H]1C[C@H]1c2ccco2 1P028RSW [0,1,0,1,0,0|1,0,1]=4 1219 B11R2.32 OC[C@@H]1C[C@H]1c2ccco2 1P0285Y9 [0,1,0,1,0,0|1,0,0]=3 1220 B11R2.50 CC1CC1(N)c2cccs2 1P027WPF [0,1,0,1,0,0|1,1,0]=4 1221 B11R2.57 NC1(CCC1)c2ncco2 1P0281HF [0,1,0,1,0,0|2,0,0]=4 1222 B11R2.106 CC1NCCc2c1ccs2 1P00GT5O [0,1,0,1,0,0|1,1,0]=4 1223 B11R2.106 CC1NCCc2c1ccs2 1P00JWZA [0,1,0,1,0,0|1,1,0]=4 1224 B11R2.106 CC1NCCc2c1scc2 1P01BUP3 [0,1,0,1,0,0|1,1,0]=4 1225 B11R2.106 CC1NCCn2c1ccc2 1P0094YP [0,1,0,1,0,0|2,0,0]=4 1226 B11R2.106 CC1NCCn2c1ccc2 1P00FDHU [0,1,0,1,0,0|2,0,0]=4 1227 B11R2.106 C[C@@H]1CNCc2n1ccc2 1P01FJYR [0,1,0,1,0,0|2,0,0]=4 1228 B11R2.106 C[C@H]1CNCc2n1ccc2 1P01FK03 [0,1,0,1,0,0|2,0,0]=4 1229 B11R2.106 NC1CCCc2c1cc[nH]2 1P019YS1 [0,1,0,1,0,0|2,0,0]=4 1230 B11R2.106 NC1CCCc2c1cco2 1P0077JK [0,1,0,1,0,0|1,0,0]=3 1231 B11R2.106 NC1CCCc2c1ccs2 1P00EEHW [0,1,0,1,0,0|1,1,0]=4 1232 B11R2.106 NC1CCCc2c1occ2 1P028INR [0,1,0,1,0,0|1,0,0]=3 1233 B11R2.106 NC1CCCc2c1scc2 1P01DWZ1 [0,1,0,1,0,0|1,1,0]=4 1234 B11R2.106 O=C1CCCc2c1cco2 1P001Y8L [0,1,0,1,0,0|1,0,1]=4 1235 B11R2.106 O=C1CCCc2c1occ2 1P007DRM [0,1,0,1,0,0|1,0,1]=4 1236 B11R2.106 O=C1CSCc2c1cco2 1P0061K5 [0,1,0,1,0,0|0,1,1]=4 1237 B11R2.106 O=C1OCCc2c1[nH]cc2 1P01A1M4 [0,1,0,1,0,0|1,0,1]=4 1238 B11R2.106 O=C1OCCc2c1scc2 1P00BHZ7 [0,1,0,1,0,0|0,1,1]=4 1239 B11R2.106 OC1CCCc2c1cc[nH]2 1P01PYZR [0,1,0,1,0,0|2,0,0]=4 1240 B11R2.106 OC1CCCc2c1cco2 1P00G8HT [0,1,0,1,0,0|1,0,0]=3 1241 B11R2.1031 NC(c1cccs1)C2CC2 1P00DLZA [0,1,0,1,0,0|1,1,0]=4 1242 B11R2.1031 O=C(c1ccco1)C2CC2 1P01JO1C [0,1,0,1,0,0|1,0,1]=4 1243 B11R2.10 Brc1cc2c(s1)CCOC2 1P0280HQ [0,1,0,1,0,0|2,0,0]=4 1244 B11R2.10 Brc1cc2c(s1)CNCC2 1P01A3QW [0,1,0,1,0,0|1,1,0]=4 1245 B11R2.10 Brc1cn2c(c1)CNCC2 1P023ORI [0,1,0,1,0,0|2,0,0]=4 1246 B11R2.10 Brc1cn2c(n1)COCC2 1P01C5LV [0,1,0,1,0,0|2,0,0]=4 1247 B11R2.10 Brc1nc2c(s1)COCC2 1P008ZJV [0,1,0,1,0,0|1,1,0]=4 1248 B11R2.10 Brc1nn2c(c1)COCC2 1P028NKK [0,1,0,1,0,0|2,0,0]=4 1249 B11R2.10 Clc1nc2c(s1)COCC2 1P002RR2 [0,1,0,1,0,0|1,1,0]=4 1250 B11R2.10 Ic1cn2c(n1)COCC2 1P028SKN [0,1,0,1,0,0|2,0,0]=4 1251 B11R2.10 Nc1cc2c(s1)CCCC2 1P001613 [0,1,0,1,0,0|1,1,0]=4 1252 B11R2.10 Nc1nc2c([nH]1)CCOC2 1P027ZVD [0,1,0,1,0,0|2,0,0]=4 1253 B11R2.10 Nc1nc2c([nH]1)COCC2 1P0286XS [0,1,0,1,0,0|2,0,0]=4 1254 B11R2.10 Nc1nc2c(o1)CCCC2 1P01ACSW [0,1,0,1,0,0|2,0,0]=4 1255 B11R2.10 Nc1nc2c(s1)COCC2 1P002RR3 [0,1,0,1,0,0|1,1,0]=4 1256 B11R2.10 Nc1nc2c(s1)COCC2 1P00EFVJ [0,1,0,1,0,0|1,1,0]=4 1257 B11R2.10 Nc1nc2c(s1)COCC2 1P01AJT2 [0,1,0,1,0,0|1,1,0]=4 1258 B11R2.10 Nc1nn2c(c1)COCC2 1P001563 [0,1,0,1,0,0|2,0,0]=4 1259 B11R2.10 Sc1nc2c([nH]1)CCOC2 1P01EJ7Y [0,1,0,1,0,0|2,0,0]=4 1260 B11R2.33 CC1CC1c2cc(no2)N 1P0290D3 [0,1,0,1,0,0|2,0,0]=4 1261 B11R2.351 Nc1noc(c1)CC2CC2 1P02898N [0,1,0,1,0,0|2,0,0]=4 1262 B11R2.352 Brc1cnc(o1)C2CCC2 1P01DWGK [0,1,0,1,0,0|2,0,0]=4 1263 B11R2.352 Brc1ncc(o1)C2CCC2 1P01DZNI [0,1,0,1,0,0|2,0,0]=4 1264 B11R2.352 Nc1ncc(o1)C2CCC2 1P0283MC [0,1,0,1,0,0|2,0,0]=4 1265 B11R2.352 Nc1noc(c1)C2CCC2 1P01DZ0C [0,1,0,1,0,0|2,0,0]=4 1266 B11R2.18 C1CCc2c(CN1)cc[nH]2 1P01E7IA [0,1,0,1,0,0|2,0,0]=4 1267 B11R2.18 C1CCc2c(CN1)ccs2 1P01AGZ2 [0,1,0,1,0,0|1,1,0]=4 1268 B11R2.18 C1CCc2c(CN1)scc2 1P00AO3A [0,1,0,1,0,0|1,1,0]=4 1269 B11R2.18 C1CCc2c(NC1)ccs2 1P01AH2T [0,1,0,1,0,0|1,1,0]=4 1270 B11R2.18 C1NCc2n(CC1)ccc2 1P028Q4O [0,1,0,1,0,0|2,0,0]=4 1271 B11R2.237 N1CC(C1)Cc2ccco2 1P01BVZN [0,1,0,1,0,0|1,0,0]=3 1272 B11R2.237 N1CC(C1)Cc2cccs2 1P01BY96 [0,1,0,1,0,0|1,1,0]=4 1273 B11R2.385 c1coc(c1)CNC2CC2 1P00G4KU [0,1,0,1,0,0|1,0,0]=3 1274 B11R2.385 c1coc(c1)CNC2CC2 1P028B5S [0,1,0,1,0,0|1,0,0]=3 1275 B11R2.385 c1csc(c1)CNC2CC2 1P001KK1 [0,1,0,1,0,0|1,1,0]=4 1276 B11R2.36 NC1CCc2c(C1)cno2 1P01ATGH [0,1,0,1,0,0|2,0,0]=4 1277 B11R2.36 NC1CCn2c(C1)ccc2 1P019ZUA [0,1,0,1,0,0|2,0,0]=4 1278 B11R2.36 N[C@H]1CCn2c(C1)ccc2 1P01A6W0 [0,1,0,1,0,0|2,0,0]=4 1279 B11R2.36 O=C1CCc2c(C1)onc2 1P028J0R [0,1,0,1,0,0|2,0,0]=4 1280 B11R2.36 O=C1CCc2c(C1)scc2 1P01C9SS [0,1,0,1,0,0|1,1,0]=4 1281 B11R2.36 OC1CCn2c(C1)ccc2 1P01ANCD [0,1,0,1,0,0|2,0,0]=4 1282 B11R2.459 Nc1cnoc1C2CCC2 1P02496U [0,1,0,1,0,0|2,0,0]=4 1283 B7R1.7 CCOCC1CO1 1P003QVT [0,0,0,0,2,0|0,0,2]=4