0 B8R1.8 BrCCc1c[nH]nc1 1P01AVGB [0,0,0,0,0,0|3,0,0]=3 1 B8R1.8 BrCCc1cccs1 1P002TU6 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.8 BrCCc1ccns1 1P01BJ4U [0,0,0,0,0,0|3,0,0]=3 3 B8R1.8 BrCCc1ccon1 1P027ZTK [0,0,0,0,0,0|3,0,1]=4 4 B8R1.8 BrCCc1cnco1 1P024SG9 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.8 BrCCc1cncs1 1P01BBZH [0,0,0,0,0,0|2,0,0]=2 6 B8R1.8 BrCCc1conc1 1P01C1RD [0,0,0,0,0,0|3,0,0]=3 7 B8R1.8 BrCCc1cscc1 1P00EEU2 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.8 BrCCc1cscn1 1P01FIOL [0,0,0,0,0,0|2,0,1]=3 9 B8R1.8 BrCCc1ncco1 1P027XM1 [0,0,0,0,0,0|3,0,1]=4 10 B8R1.8 BrCCn1cccc1 1P003DA3 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.8 BrCCn1cccn1 1P000IZ7 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.8 BrCCn1cccn1 1P01C29K [0,0,0,0,0,0|3,0,1]=4 13 B8R1.8 BrCCn1ccnn1 1P00HBLT [0,0,0,0,0,0|4,0,0]=4 14 B8R1.8 BrCCn1cncc1 1P00J1QP [0,0,0,0,0,0|3,0,0]=3 15 B8R1.8 BrCCn1cncn1 1P00IDEF [0,0,0,0,0,0|2,0,1]=3 16 B8R1.8 BrCCn1cncn1 1P00J1QC [0,0,0,0,0,0|2,0,1]=3 17 B8R1.8 BrCCn1cnnc1 1P00J37R [0,0,0,0,0,0|4,0,0]=4 18 B8R1.8 C#CCn1cncc1 1P01ABZV [0,0,0,0,0,0|3,0,1]=4 19 B8R1.8 C(c1ccno1)C#N 1P00G5QL [0,0,0,0,0,0|2,0,2]=4 20 B8R1.8 C(c1cnc[nH]1)C#N 1P00383M [0,0,0,0,0,0|0,0,2]=2 21 B8R1.8 C(c1cncs1)C#N 1P00DJRR [0,0,0,0,0,0|1,0,2]=3 22 B8R1.8 C(c1cnsn1)C#N 1P01B2WC [0,0,0,0,0,0|1,0,3]=4 23 B8R1.8 C(c1cocn1)C#N 1P027CXA [0,0,0,0,0,0|1,0,3]=4 24 B8R1.8 C(c1cscn1)C#N 1P005R7Z [0,0,0,0,0,0|1,0,3]=4 25 B8R1.8 C(c1nncs1)C#N 1P01QZCB [0,0,0,0,0,0|2,0,2]=4 26 B8R1.8 C(n1cncn1)C#C 1P005C6M [0,0,0,0,0,0|2,0,2]=4 27 B8R1.8 C(n1cncn1)C#N 1P003F5X [0,0,0,0,0,0|1,0,3]=4 28 B8R1.8 C=CCn1cncc1 1P003BHN [0,0,0,0,0,0|3,0,1]=4 29 B8R1.8 C=CCn1cncn1 1P00J8RW [0,0,0,0,0,0|2,0,2]=4 30 B8R1.8 CCCC1=NCCN1 1P003IA8 [0,0,0,0,0,0|3,0,1]=4 31 B8R1.8 CCCc1c[nH]nc1 1P00I4HL [0,0,0,0,0,0|3,0,0]=3 32 B8R1.8 CCCc1cc[nH]n1 1P005UQF [0,0,0,0,0,0|3,0,1]=4 33 B8R1.8 CCCc1ccc[nH]1 1P007FSL [0,0,0,0,0,0|2,0,0]=2 34 B8R1.8 CCCc1cccs1 1P003IDK [0,0,0,0,0,0|3,0,0]=3 35 B8R1.8 CCCc1cocn1 1P023RY6 [0,0,0,0,0,0|2,0,1]=3 36 B8R1.8 CCCc1cscc1 1P003KB0 [0,0,0,0,0,0|3,0,0]=3 37 B8R1.8 CCCc1n[nH]cn1 1P00J2TN [0,0,0,0,0,0|2,0,2]=4 38 B8R1.8 CCCc1n[nH]nn1 1P001J1W [0,0,0,0,0,0|3,0,1]=4 39 B8R1.8 CCCc1ncc[nH]1 1P003IDI [0,0,0,0,0,0|3,0,0]=3 40 B8R1.8 CCCc1nccs1 1P00250A [0,0,0,0,0,0|3,0,1]=4 41 B8R1.8 CCCc1ncn[nH]1 1P002CI3 [0,0,0,0,0,0|2,0,1]=3 42 B8R1.8 CCCn1cccn1 1P003F3X [0,0,0,0,0,0|3,0,1]=4 43 B8R1.8 CCCn1cncc1 1P0032P5 [0,0,0,0,0,0|3,0,0]=3 44 B8R1.8 CCCn1cnnc1 1P00BJCQ [0,0,0,0,0,0|4,0,0]=4 45 B8R1.8 CCNc1cscc1 1P027WY1 [0,0,0,0,0,0|4,0,0]=4 46 B8R1.8 CCNc1ncc[nH]1 1P01A1SZ [0,0,0,0,0,0|4,0,0]=4 47 B8R1.8 CCNc1ncn[nH]1 1P01DX9H [0,0,0,0,0,0|3,0,1]=4 48 B8R1.8 CCNc1nnco1 1P01BUA7 [0,0,0,0,0,0|4,0,0]=4 49 B8R1.8 CCNc1nncs1 1P0011KL [0,0,0,0,0,0|4,0,0]=4 50 B8R1.8 CCOc1c[nH]cn1 1P027U2Z [0,0,0,0,0,0|2,0,2]=4 51 B8R1.8 CCOc1c[nH]nc1 1P0052T0 [0,0,0,0,0,0|4,0,0]=4 52 B8R1.8 CCOc1cccs1 1P01HY7F [0,0,0,0,0,0|4,0,0]=4 53 B8R1.8 CCOc1cnco1 1P001MYR [0,0,0,0,0,0|3,0,0]=3 54 B8R1.8 CCOc1cscc1 1P000BFR [0,0,0,0,0,0|4,0,0]=4 55 B8R1.8 CCSc1nnn[nH]1 1P003MO6 [0,0,0,0,0,0|4,0,0]=4 56 B8R1.8 CNCc1c[nH]cn1 1P01A0V5 [0,0,0,0,0,0|2,0,2]=4 57 B8R1.8 CNCc1c[nH]nc1 1P01AIIO [0,0,0,0,0,0|4,0,0]=4 58 B8R1.8 CNCc1c[nH]nc1 1P027VI9 [0,0,0,0,0,0|4,0,0]=4 59 B8R1.8 CNCc1ccc[nH]1 1P002S02 [0,0,0,0,0,0|3,0,0]=3 60 B8R1.8 CNCc1ccc[nH]1 1P027XEF [0,0,0,0,0,0|3,0,0]=3 61 B8R1.8 CNCc1ccco1 1P00D8RX [0,0,0,0,0,0|4,0,0]=4 62 B8R1.8 CNCc1cccs1 1P003TMJ [0,0,0,0,0,0|4,0,0]=4 63 B8R1.8 CNCc1cccs1 1P003TMK [0,0,0,0,0,0|4,0,0]=4 64 B8R1.8 CNCc1ccn[nH]1 1P00FB0Z [0,0,0,0,0,0|4,0,0]=4 65 B8R1.8 CNCc1cnc[nH]1 1P01DQ2Y [0,0,0,0,0,0|2,0,0]=2 66 B8R1.8 CNCc1cnco1 1P028CGH [0,0,0,0,0,0|3,0,0]=3 67 B8R1.8 CNCc1cncs1 1P00H3L5 [0,0,0,0,0,0|3,0,0]=3 68 B8R1.8 CNCc1cocc1 1P002MAS [0,0,0,0,0,0|4,0,0]=4 69 B8R1.8 CNCc1cocn1 1P027V8U [0,0,0,0,0,0|3,0,1]=4 70 B8R1.8 CNCc1cscc1 1P002LC2 [0,0,0,0,0,0|4,0,0]=4 71 B8R1.8 CNCc1cscc1 1P01EJFU [0,0,0,0,0,0|4,0,0]=4 72 B8R1.8 CNCc1cscn1 1P0081AQ [0,0,0,0,0,0|3,0,1]=4 73 B8R1.8 CNCc1ncc[nH]1 1P00DDPP [0,0,0,0,0,0|4,0,0]=4 74 B8R1.8 CNCc1ncc[nH]1 1P00J3T9 [0,0,0,0,0,0|4,0,0]=4 75 B8R1.8 CNCc1ncno1 1P01A0G6 [0,0,0,0,0,0|3,0,1]=4 76 B8R1.8 CNCc1ncsc1 1P00J1AI [0,0,0,0,0,0|3,0,1]=4 77 B8R1.8 CNCc1nnc[nH]1 1P01AKCG [0,0,0,0,0,0|3,0,0]=3 78 B8R1.8 CNCc1nnc[nH]1 1P01BGHC [0,0,0,0,0,0|3,0,0]=3 79 B8R1.8 CNCc1nnn[nH]1 1P00VUZC [0,0,0,0,0,0|4,0,0]=4 80 B8R1.8 CNCc1nnn[nH]1 1P01A7A8 [0,0,0,0,0,0|4,0,0]=4 81 B8R1.8 CNCc1scnn1 1P028DCU [0,0,0,0,0,0|4,0,0]=4 82 B8R1.8 COCc1c[nH]cn1 1P00IF42 [0,0,0,0,0,0|2,0,2]=4 83 B8R1.8 COCc1c[nH]nc1 1P00ILIG [0,0,0,0,0,0|4,0,0]=4 84 B8R1.8 COCc1cccs1 1P001LLJ [0,0,0,0,0,0|4,0,0]=4 85 B8R1.8 COCc1ccns1 1P01FL4P [0,0,0,0,0,0|4,0,0]=4 86 B8R1.8 COCc1cncs1 1P027XKB [0,0,0,0,0,0|3,0,0]=3 87 B8R1.8 COCc1cscc1 1P028GT6 [0,0,0,0,0,0|4,0,0]=4 88 B8R1.8 COCc1ncc[nH]1 1P0008HA [0,0,0,0,0,0|4,0,0]=4 89 B8R1.8 COCc1ncn[nH]1 1P00C2HW [0,0,0,0,0,0|3,0,1]=4 90 B8R1.8 COCn1cncc1 1P002DES [0,0,0,0,0,0|4,0,0]=4 91 B8R1.8 CSCc1ccco1 1P003R63 [0,0,0,0,0,0|4,0,0]=4 92 B8R1.8 CSCc1nnn[nH]1 1P00C99W [0,0,0,0,0,0|4,0,0]=4 93 B8R1.8 ClCCc1c[nH]cn1 1P009I67 [0,0,0,0,0,0|1,0,2]=3 94 B8R1.8 ClCCc1c[nH]nc1 1P008TP8 [0,0,0,0,0,0|3,0,0]=3 95 B8R1.8 ClCCc1c[nH]nc1 1P00DB8G [0,0,0,0,0,0|3,0,0]=3 96 B8R1.8 ClCCc1c[nH]nn1 1P01AMF3 [0,0,0,0,0,0|2,0,2]=4 97 B8R1.8 ClCCc1cccs1 1P002CY4 [0,0,0,0,0,0|3,0,0]=3 98 B8R1.8 ClCCc1ccsn1 1P01EM7P [0,0,0,0,0,0|3,0,1]=4 99 B8R1.8 ClCCc1cnc[nH]1 1P00EG0N [0,0,0,0,0,0|1,0,0]=1 100 B8R1.8 ClCCc1cncs1 1P01AML1 [0,0,0,0,0,0|2,0,0]=2 101 B8R1.8 ClCCc1conc1 1P01AVAQ [0,0,0,0,0,0|3,0,0]=3 102 B8R1.8 ClCCc1cscn1 1P00GMD7 [0,0,0,0,0,0|2,0,1]=3 103 B8R1.8 ClCCc1n[nH]cn1 1P02852C [0,0,0,0,0,0|2,0,2]=4 104 B8R1.8 ClCCc1n[nH]nn1 1P00I2C3 [0,0,0,0,0,0|3,0,1]=4 105 B8R1.8 ClCCc1ncc[nH]1 1P00J37C [0,0,0,0,0,0|3,0,0]=3 106 B8R1.8 ClCCn1cccc1 1P003DAD [0,0,0,0,0,0|4,0,0]=4 107 B8R1.8 ClCCn1cccn1 1P005UFV [0,0,0,0,0,0|3,0,1]=4 108 B8R1.8 ClCCn1cccn1 1P019Z04 [0,0,0,0,0,0|3,0,1]=4 109 B8R1.8 ClCCn1cncc1 1P002EMS [0,0,0,0,0,0|3,0,0]=3 110 B8R1.8 ClCCn1cncc1 1P00H04N [0,0,0,0,0,0|3,0,0]=3 111 B8R1.8 ClCCn1cncn1 1P00C6JP [0,0,0,0,0,0|2,0,1]=3 112 B8R1.8 ClCCn1cncn1 1P01BBWL [0,0,0,0,0,0|2,0,1]=3 113 B8R1.8 ClCCn1cnnn1 1P00ATP6 [0,0,0,0,0,0|3,0,1]=4 114 B8R1.8 FCCn1cccn1 1P01AP74 [0,0,0,0,0,0|3,0,1]=4 115 B8R1.8 FCCn1cncc1 1P01EIRE [0,0,0,0,0,0|3,0,0]=3 116 B8R1.8 FCCn1cncn1 1P01EIRH [0,0,0,0,0,0|2,0,1]=3 117 B8R1.8 ICCc1nnn[nH]1 1P028TLP [0,0,0,0,0,0|3,0,0]=3 118 B8R1.8 ICCn1cccn1 1P0293GI [0,0,0,0,0,0|3,0,1]=4 119 B8R1.8 ICCn1cncc1 1P028PTI [0,0,0,0,0,0|3,0,0]=3 120 B8R1.8 ICCn1cncn1 1P0286PH [0,0,0,0,0,0|2,0,1]=3 121 B8R1.8 N#CCc1c[nH]cc1 1P007SBG [0,0,0,0,0,0|1,0,3]=4 122 B8R1.8 N#CCc1c[nH]nc1 1P000JFK [0,0,0,0,0,0|2,0,2]=4 123 B8R1.8 N#CCc1ccc[nH]1 1P00DYLT [0,0,0,0,0,0|1,0,2]=3 124 B8R1.8 N#CCc1ccco1 1P00BDAE [0,0,0,0,0,0|2,0,2]=4 125 B8R1.8 N#CCc1cccs1 1P002KFF [0,0,0,0,0,0|2,0,2]=4 126 B8R1.8 N#CCc1cnns1 1P028EU0 [0,0,0,0,0,0|2,0,2]=4 127 B8R1.8 N#CCc1cocc1 1P01Q89A [0,0,0,0,0,0|2,0,2]=4 128 B8R1.8 N#CCc1conc1 1P019WWJ [0,0,0,0,0,0|2,0,2]=4 129 B8R1.8 N#CCc1cscc1 1P0014CB [0,0,0,0,0,0|2,0,2]=4 130 B8R1.8 N#CCc1csnc1 1P028ZJH [0,0,0,0,0,0|2,0,2]=4 131 B8R1.8 N#CCc1ncc[nH]1 1P002MXF [0,0,0,0,0,0|2,0,2]=4 132 B8R1.8 N#CCn1cncc1 1P00IKN5 [0,0,0,0,0,0|2,0,2]=4 133 B8R1.8 NCCC1=CCCC1 1P01A2TS [0,0,0,0,0,0|2,0,1]=3 134 B8R1.8 NCCC1CC=CC1 1P01EMFG [0,0,0,0,0,0|2,0,2]=4 135 B8R1.8 NCCC1CCC=C1 1P01DGR5 [0,0,0,0,0,0|2,0,2]=4 136 B8R1.8 NCCC1CCCN1 1P01B8X0 [0,0,0,0,0,0|1,0,3]=4 137 B8R1.8 NCCN1CC=CC1 1P01AL5M [0,0,0,0,0,0|3,0,1]=4 138 B8R1.8 NCCc1[nH]cnc1 1P002N9R [0,0,0,0,0,0|0,0,0]=0 139 B8R1.8 NCCc1c[nH]cc1 1P01BBDB [0,0,0,0,0,0|1,0,1]=2 140 B8R1.8 NCCc1c[nH]cn1 1P0037UP [0,0,0,0,0,0|0,0,2]=2 141 B8R1.8 NCCc1c[nH]nc1 1P00742Z [0,0,0,0,0,0|2,0,0]=2 142 B8R1.8 NCCc1c[nH]nc1 1P01BCHB [0,0,0,0,0,0|2,0,0]=2 143 B8R1.8 NCCc1cc[nH]n1 1P0085RD [0,0,0,0,0,0|2,0,1]=3 144 B8R1.8 NCCc1cc[nH]n1 1P009FIS [0,0,0,0,0,0|2,0,1]=3 145 B8R1.8 NCCc1ccc[nH]1 1P003F9F [0,0,0,0,0,0|1,0,0]=1 146 B8R1.8 NCCc1ccco1 1P003HT8 [0,0,0,0,0,0|2,0,0]=2 147 B8R1.8 NCCc1ccco1 1P00J3S8 [0,0,0,0,0,0|2,0,0]=2 148 B8R1.8 NCCc1cccs1 1P0030KO [0,0,0,0,0,0|2,0,0]=2 149 B8R1.8 NCCc1ccno1 1P01BRWE [0,0,0,0,0,0|2,0,0]=2 150 B8R1.8 NCCc1ccno1 1P0286ZF [0,0,0,0,0,0|2,0,0]=2 151 B8R1.8 NCCc1ccon1 1P01A2VX [0,0,0,0,0,0|2,0,1]=3 152 B8R1.8 NCCc1cnn[nH]1 1P00J2Q2 [0,0,0,0,0,0|1,0,0]=1 153 B8R1.8 NCCc1cocc1 1P01ADC8 [0,0,0,0,0,0|2,0,0]=2 154 B8R1.8 NCCc1cocc1 1P01B713 [0,0,0,0,0,0|2,0,0]=2 155 B8R1.8 NCCc1conc1 1P00HF7E [0,0,0,0,0,0|2,0,0]=2 156 B8R1.8 NCCc1cscc1 1P0038IN [0,0,0,0,0,0|2,0,0]=2 157 B8R1.8 NCCc1cscc1 1P00EA5P [0,0,0,0,0,0|2,0,0]=2 158 B8R1.8 NCCc1cscn1 1P008NUY [0,0,0,0,0,0|1,0,1]=2 159 B8R1.8 NCCc1csnn1 1P028CXE [0,0,0,0,0,0|2,0,1]=3 160 B8R1.8 NCCc1nc[nH]c1 1P0035GO [0,0,0,0,0,0|0,0,2]=2 161 B8R1.8 NCCc1nc[nH]c1 1P003REF [0,0,0,0,0,0|0,0,2]=2 162 B8R1.8 NCCc1ncc[nH]1 1P00I025 [0,0,0,0,0,0|2,0,0]=2 163 B8R1.8 NCCc1ncco1 1P0284E7 [0,0,0,0,0,0|2,0,1]=3 164 B8R1.8 NCCc1nccs1 1P003AOM [0,0,0,0,0,0|2,0,1]=3 165 B8R1.8 NCCc1nccs1 1P0075VS [0,0,0,0,0,0|2,0,1]=3 166 B8R1.8 NCCc1ncn[nH]1 1P00ID9Y [0,0,0,0,0,0|1,0,1]=2 167 B8R1.8 NCCc1ncno1 1P00KCRN [0,0,0,0,0,0|1,0,1]=2 168 B8R1.8 NCCc1ncoc1 1P024XO7 [0,0,0,0,0,0|1,0,1]=2 169 B8R1.8 NCCc1ncoc1 1P028SJK [0,0,0,0,0,0|1,0,1]=2 170 B8R1.8 NCCc1ncsc1 1P00G8VN [0,0,0,0,0,0|1,0,1]=2 171 B8R1.8 NCCc1nn[nH]c1 1P01EIH9 [0,0,0,0,0,0|1,0,2]=3 172 B8R1.8 NCCc1nnc[nH]1 1P019SJM [0,0,0,0,0,0|1,0,0]=1 173 B8R1.8 NCCc1nnn[nH]1 1P003FEY [0,0,0,0,0,0|2,0,0]=2 174 B8R1.8 NCCc1nnn[nH]1 1P00J1YI [0,0,0,0,0,0|2,0,0]=2 175 B8R1.8 NCCc1nocn1 1P01AJQD [0,0,0,0,0,0|2,0,1]=3 176 B8R1.8 NCCc1ocnc1 1P028E9Y [0,0,0,0,0,0|1,0,0]=1 177 B8R1.8 NCCc1scnc1 1P00G9Z1 [0,0,0,0,0,0|1,0,0]=1 178 B8R1.8 NCCc1scnn1 1P00HYGH [0,0,0,0,0,0|2,0,0]=2 179 B8R1.8 NCCn1cccc1 1P002ZMK [0,0,0,0,0,0|3,0,0]=3 180 B8R1.8 NCCn1cccn1 1P0004UZ [0,0,0,0,0,0|2,0,1]=3 181 B8R1.8 NCCn1cccn1 1P00J1AE [0,0,0,0,0,0|2,0,1]=3 182 B8R1.8 NCCn1ccnn1 1P00DBYL [0,0,0,0,0,0|3,0,0]=3 183 B8R1.8 NCCn1ccnn1 1P01B4FL [0,0,0,0,0,0|3,0,0]=3 184 B8R1.8 NCCn1cncc1 1P003F64 [0,0,0,0,0,0|2,0,0]=2 185 B8R1.8 NCCn1cncc1 1P00APN2 [0,0,0,0,0,0|2,0,0]=2 186 B8R1.8 NCCn1cncc1 1P00J9QA [0,0,0,0,0,0|2,0,0]=2 187 B8R1.8 NCCn1cncn1 1P006WD5 [0,0,0,0,0,0|1,0,1]=2 188 B8R1.8 NCCn1cncn1 1P00HAIF [0,0,0,0,0,0|1,0,1]=2 189 B8R1.8 NCCn1cnnc1 1P0003GV [0,0,0,0,0,0|3,0,0]=3 190 B8R1.8 NCCn1cnnc1 1P00J2WK [0,0,0,0,0,0|3,0,0]=3 191 B8R1.8 NCCn1cnnn1 1P00J35T [0,0,0,0,0,0|2,0,1]=3 192 B8R1.8 NCCn1nccn1 1P01ATBE [0,0,0,0,0,0|3,0,1]=4 193 B8R1.8 NCCn1ncnc1 1P00DK88 [0,0,0,0,0,0|1,0,1]=2 194 B8R1.8 NCCn1nncn1 1P00JPOI [0,0,0,0,0,0|2,0,1]=3 195 B8R1.8 NNCc1cccs1 1P00J317 [0,0,0,0,0,0|3,0,0]=3 196 B8R1.8 NNCc1cscc1 1P01BDCM [0,0,0,0,0,0|3,0,0]=3 197 B8R1.8 NNCc1cscc1 1P01BDDR [0,0,0,0,0,0|3,0,0]=3 198 B8R1.8 NOCc1cccs1 1P01P0SG [0,0,0,0,0,0|3,0,0]=3 199 B8R1.8 NOCc1n[nH]cn1 1P028E4J [0,0,0,0,0,0|2,0,2]=4 200 B8R1.8 NOCc1n[nH]cn1 1P028IJ8 [0,0,0,0,0,0|2,0,2]=4 201 B8R1.8 O=CCc1cccs1 1P00AD6S [0,0,0,0,0,0|3,0,1]=4 202 B8R1.8 O=CCc1cscc1 1P000FCN [0,0,0,0,0,0|3,0,1]=4 203 B8R1.8 OCC[n+]1cscc1 1P007XL7 [0,0,0,0,0,0|4,0,0]=4 204 B8R1.8 OCCc1c[nH]nc1 1P002297 [0,0,0,0,0,0|3,0,0]=3 205 B8R1.8 OCCc1c[nH]nc1 1P019U5T [0,0,0,0,0,0|3,0,0]=3 206 B8R1.8 OCCc1c[nH]nn1 1P01AII7 [0,0,0,0,0,0|2,0,2]=4 207 B8R1.8 OCCc1c[nH]nn1 1P01EMU3 [0,0,0,0,0,0|2,0,2]=4 208 B8R1.8 OCCc1cc[nH]n1 1P00CLE0 [0,0,0,0,0,0|3,0,1]=4 209 B8R1.8 OCCc1ccc[nH]1 1P006ZXJ [0,0,0,0,0,0|2,0,0]=2 210 B8R1.8 OCCc1ccco1 1P00BZB3 [0,0,0,0,0,0|3,0,0]=3 211 B8R1.8 OCCc1cccs1 1P0033WO [0,0,0,0,0,0|3,0,0]=3 212 B8R1.8 OCCc1ccsn1 1P0290FH [0,0,0,0,0,0|3,0,1]=4 213 B8R1.8 OCCc1cnc[nH]1 1P0022DH [0,0,0,0,0,0|1,0,0]=1 214 B8R1.8 OCCc1cnc[nH]1 1P004IMT [0,0,0,0,0,0|1,0,0]=1 215 B8R1.8 OCCc1cnco1 1P028VU5 [0,0,0,0,0,0|2,0,0]=2 216 B8R1.8 OCCc1cncs1 1P01B9DR [0,0,0,0,0,0|2,0,0]=2 217 B8R1.8 OCCc1cocc1 1P0037R8 [0,0,0,0,0,0|3,0,0]=3 218 B8R1.8 OCCc1conc1 1P004J4U [0,0,0,0,0,0|3,0,0]=3 219 B8R1.8 OCCc1cscc1 1P0014C9 [0,0,0,0,0,0|3,0,0]=3 220 B8R1.8 OCCc1cscn1 1P028C5K [0,0,0,0,0,0|2,0,1]=3 221 B8R1.8 OCCc1csnc1 1P028W89 [0,0,0,0,0,0|3,0,0]=3 222 B8R1.8 OCCc1n[nH]nn1 1P0021PM [0,0,0,0,0,0|3,0,1]=4 223 B8R1.8 OCCc1ncc[nH]1 1P003F8Q [0,0,0,0,0,0|3,0,0]=3 224 B8R1.8 OCCc1ncc[nH]1 1P0281JM [0,0,0,0,0,0|3,0,0]=3 225 B8R1.8 OCCc1ncco1 1P02817S [0,0,0,0,0,0|3,0,1]=4 226 B8R1.8 OCCc1nccs1 1P0040AO [0,0,0,0,0,0|3,0,1]=4 227 B8R1.8 OCCn1cccc1 1P003DBI [0,0,0,0,0,0|4,0,0]=4 228 B8R1.8 OCCn1cccn1 1P0033B0 [0,0,0,0,0,0|3,0,1]=4 229 B8R1.8 OCCn1ccnn1 1P008PPU [0,0,0,0,0,0|4,0,0]=4 230 B8R1.8 OCCn1cncc1 1P0038Q6 [0,0,0,0,0,0|3,0,0]=3 231 B8R1.8 OCCn1cncn1 1P0038JL [0,0,0,0,0,0|2,0,1]=3 232 B8R1.8 OCCn1cnnc1 1P006ICN [0,0,0,0,0,0|4,0,0]=4 233 B8R1.8 OCCn1cnnn1 1P007JT2 [0,0,0,0,0,0|3,0,1]=4 234 B8R1.8 O\N=C\c1ccc[nH]1 1P003UJT [0,0,0,0,0,0|3,0,1]=4 235 B8R1.8 SCCc1ccco1 1P01HNHQ [0,0,0,0,0,0|3,0,0]=3 236 B8R1.8 SCCc1cccs1 1P01HCS8 [0,0,0,0,0,0|3,0,0]=3 237 B8R1.8 SCCc1conc1 1P0292JM [0,0,0,0,0,0|3,0,0]=3 238 B8R1.8 SCCc1cscc1 1P028DTF [0,0,0,0,0,0|3,0,0]=3 239 B8R1.8 SCCc1n[nH]nn1 1P00FPA0 [0,0,0,0,0,0|3,0,1]=4 240 B8R1.8 SCCn1cccn1 1P019UID [0,0,0,0,0,0|3,0,1]=4 241 B8R1.8 SCCn1cncc1 1P02921I [0,0,0,0,0,0|3,0,0]=3 242 B8R1.8 [C-]#[N+]Cc1cccs1 1P028JRQ [0,0,0,0,0,0|4,0,0]=4 243 B7R1.1 BrCc1c[nH]cn1 1P00DKVA [1,0,0,0,0,0|1,0,2]=4 244 B7R1.1 BrCc1c[nH]nc1 1P01BAG9 [1,0,0,0,0,0|3,0,0]=4 245 B7R1.1 BrCc1cccs1 1P003A54 [1,0,0,0,0,0|3,0,0]=4 246 B7R1.1 BrCc1ccno1 1P005IU1 [1,0,0,0,0,0|3,0,0]=4 247 B7R1.1 BrCc1ccns1 1P00BNV7 [1,0,0,0,0,0|3,0,0]=4 248 B7R1.1 BrCc1cnco1 1P000X8S [1,0,0,0,0,0|2,0,0]=3 249 B7R1.1 BrCc1cncs1 1P00IJOS [1,0,0,0,0,0|2,0,0]=3 250 B7R1.1 BrCc1cnns1 1P01BBDX [1,0,0,0,0,0|3,0,0]=4 251 B7R1.1 BrCc1cnon1 1P01DTB8 [1,0,0,0,0,0|2,0,1]=4 252 B7R1.1 BrCc1cnsn1 1P019SY8 [1,0,0,0,0,0|2,0,1]=4 253 B7R1.1 BrCc1cocc1 1P00ED8I [1,0,0,0,0,0|3,0,0]=4 254 B7R1.1 BrCc1cocn1 1P008U5Y [1,0,0,0,0,0|2,0,1]=4 255 B7R1.1 BrCc1conc1 1P00E9OI [1,0,0,0,0,0|3,0,0]=4 256 B7R1.1 BrCc1cscn1 1P0036OC [1,0,0,0,0,0|2,0,1]=4 257 B7R1.1 BrCc1ncc[nH]1 1P002YQ4 [1,0,0,0,0,0|3,0,0]=4 258 B7R1.1 BrCc1ncno1 1P01C6TW [1,0,0,0,0,0|2,0,1]=4 259 B7R1.1 C#Cc1cnc[nH]1 1P00EM44 [1,0,0,0,0,0|0,0,2]=3 260 B7R1.1 C#Cc1cnco1 1P01DRZ2 [1,0,0,0,0,0|1,0,2]=4 261 B7R1.1 C#Cc1cncs1 1P004NIS [1,0,0,0,0,0|1,0,2]=4 262 B7R1.1 C#Cc1cnn[nH]1 1P027NC6 [1,0,0,0,0,0|1,0,2]=4 263 B7R1.1 C=Cc1cncs1 1P01BRJP [1,0,0,0,0,0|1,0,2]=4 264 B7R1.1 CCC1=CCCC1 1P003ER5 [1,0,0,0,0,0|2,0,1]=4 265 B7R1.1 CCC1CC=NN1 1P02929M [1,0,0,0,0,0|2,0,1]=4 266 B7R1.1 CCC1NCC=C1 1P008W14 [1,0,0,0,0,0|1,0,2]=4 267 B7R1.1 CCC1NCC=C1 1P00J2F3 [1,0,0,0,0,0|1,0,2]=4 268 B7R1.1 CC[C-]1C=CC=C1 1P000XD7 [1,0,0,0,0,0|2,0,1]=4 269 B7R1.1 CC[C-]1C=CC=C1 1P000XD9 [1,0,0,0,0,0|2,0,1]=4 270 B7R1.1 CCc1c[nH]cc1 1P00APDI [1,0,0,0,0,0|1,0,1]=3 271 B7R1.1 CCc1c[nH]nc1 1P00B6AX [1,0,0,0,0,0|2,0,0]=3 272 B7R1.1 CCc1cc[nH]n1 1P0018FG [1,0,0,0,0,0|2,0,1]=4 273 B7R1.1 CCc1ccc[nH]1 1P0033RK [1,0,0,0,0,0|1,0,0]=2 274 B7R1.1 CCc1ccco1 1P003HOB [1,0,0,0,0,0|2,0,0]=3 275 B7R1.1 CCc1cccs1 1P003HOV [1,0,0,0,0,0|2,0,0]=3 276 B7R1.1 CCc1ccon1 1P028EIU [1,0,0,0,0,0|2,0,1]=4 277 B7R1.1 CCc1cn[nH]n1 1P024SQ7 [1,0,0,0,0,0|1,0,1]=3 278 B7R1.1 CCc1cnc[nH]1 1P001J1R [1,0,0,0,0,0|0,0,0]=1 279 B7R1.1 CCc1cnco1 1P007IH6 [1,0,0,0,0,0|1,0,0]=2 280 B7R1.1 CCc1cocn1 1P01B79E [1,0,0,0,0,0|1,0,1]=3 281 B7R1.1 CCc1cscc1 1P0027I2 [1,0,0,0,0,0|2,0,0]=3 282 B7R1.1 CCc1cscn1 1P00250B [1,0,0,0,0,0|1,0,1]=3 283 B7R1.1 CCc1csnc1 1P01BYG2 [1,0,0,0,0,0|2,0,0]=3 284 B7R1.1 CCc1n[nH]cn1 1P0039JI [1,0,0,0,0,0|1,0,2]=4 285 B7R1.1 CCc1n[nH]nn1 1P001XG5 [1,0,0,0,0,0|2,0,1]=4 286 B7R1.1 CCc1ncc[nH]1 1P003BOK [1,0,0,0,0,0|2,0,0]=3 287 B7R1.1 CCc1nccs1 1P001PGS [1,0,0,0,0,0|2,0,1]=4 288 B7R1.1 CCc1nnco1 1P000WQS [1,0,0,0,0,0|2,0,0]=3 289 B7R1.1 CCc1nnn[nH]1 1P00DLXP [1,0,0,0,0,0|2,0,0]=3 290 B7R1.1 CCn1cccc1 1P00EBJW [1,0,0,0,0,0|3,0,0]=4 291 B7R1.1 CCn1cccn1 1P003ES5 [1,0,0,0,0,0|2,0,1]=4 292 B7R1.1 CCn1ccnn1 1P00K7KQ [1,0,0,0,0,0|3,0,0]=4 293 B7R1.1 CCn1ccnn1 1P028VSK [1,0,0,0,0,0|3,0,0]=4 294 B7R1.1 CCn1cncc1 1P003ES2 [1,0,0,0,0,0|2,0,0]=3 295 B7R1.1 CCn1cncn1 1P001Y2E [1,0,0,0,0,0|1,0,1]=3 296 B7R1.1 CCn1cnnc1 1P00DUIQ [1,0,0,0,0,0|3,0,0]=4 297 B7R1.1 CCn1cnnn1 1P002QYP [1,0,0,0,0,0|2,0,1]=4 298 B7R1.1 CNc1c[nH]nc1 1P019TPX [1,0,0,0,0,0|3,0,0]=4 299 B7R1.1 CNc1cnn[nH]1 1P0282XF [1,0,0,0,0,0|2,0,0]=3 300 B7R1.1 CNc1cscc1 1P01B2HP [1,0,0,0,0,0|3,0,0]=4 301 B7R1.1 CNc1ncc[nH]1 1P01BE1C [1,0,0,0,0,0|3,0,0]=4 302 B7R1.1 CNc1nnco1 1P01BTTZ [1,0,0,0,0,0|3,0,0]=4 303 B7R1.1 CNc1nncs1 1P00I84C [1,0,0,0,0,0|3,0,0]=4 304 B7R1.1 CNc1nnn[nH]1 1P01B73J [1,0,0,0,0,0|3,0,0]=4 305 B7R1.1 CNc1nnn[nH]1 1P01B73U [1,0,0,0,0,0|3,0,0]=4 306 B7R1.1 COc1c[nH]cn1 1P0048ET [1,0,0,0,0,0|1,0,2]=4 307 B7R1.1 COc1c[nH]nc1 1P001LPP [1,0,0,0,0,0|3,0,0]=4 308 B7R1.1 COc1c[nH]nc1 1P01B6QU [1,0,0,0,0,0|3,0,0]=4 309 B7R1.1 COc1cccs1 1P001YI0 [1,0,0,0,0,0|3,0,0]=4 310 B7R1.1 COc1cscc1 1P0021M3 [1,0,0,0,0,0|3,0,0]=4 311 B7R1.1 COc1nncs1 1P004Y6Z [1,0,0,0,0,0|3,0,0]=4 312 B7R1.1 CSc1c[nH]cn1 1P0036YT [1,0,0,0,0,0|1,0,2]=4 313 B7R1.1 CSc1c[nH]nc1 1P009JTI [1,0,0,0,0,0|3,0,0]=4 314 B7R1.1 CSc1ccc[nH]1 1P01ID3L [1,0,0,0,0,0|2,0,0]=3 315 B7R1.1 CSc1ccco1 1P000WBV [1,0,0,0,0,0|3,0,0]=4 316 B7R1.1 CSc1cccs1 1P0033CD [1,0,0,0,0,0|3,0,0]=4 317 B7R1.1 CSc1cncs1 1P01BU59 [1,0,0,0,0,0|2,0,0]=3 318 B7R1.1 CSc1cscc1 1P002JFX [1,0,0,0,0,0|3,0,0]=4 319 B7R1.1 CSc1ncc[nH]1 1P003FKB [1,0,0,0,0,0|3,0,0]=4 320 B7R1.1 CSc1nnc[nH]1 1P005U9S [1,0,0,0,0,0|2,0,0]=3 321 B7R1.1 CSc1nnc[nH]1 1P028EL9 [1,0,0,0,0,0|2,0,0]=3 322 B7R1.1 CSc1nncs1 1P028THD [1,0,0,0,0,0|3,0,0]=4 323 B7R1.1 ClCc1c[nH]cn1 1P00I84M [1,0,0,0,0,0|1,0,2]=4 324 B7R1.1 ClCc1c[nH]nc1 1P001U3B [1,0,0,0,0,0|3,0,0]=4 325 B7R1.1 ClCc1cccs1 1P005XFR [1,0,0,0,0,0|3,0,0]=4 326 B7R1.1 ClCc1ccno1 1P00ECFK [1,0,0,0,0,0|3,0,0]=4 327 B7R1.1 ClCc1ccns1 1P0078AS [1,0,0,0,0,0|3,0,0]=4 328 B7R1.1 ClCc1cnco1 1P007W6B [1,0,0,0,0,0|2,0,0]=3 329 B7R1.1 ClCc1cncs1 1P009I1Z [1,0,0,0,0,0|2,0,0]=3 330 B7R1.1 ClCc1cncs1 1P00DCWM [1,0,0,0,0,0|2,0,0]=3 331 B7R1.1 ClCc1cnon1 1P01A0MR [1,0,0,0,0,0|2,0,1]=4 332 B7R1.1 ClCc1cnsn1 1P01C4VS [1,0,0,0,0,0|2,0,1]=4 333 B7R1.1 ClCc1cocn1 1P005ISW [1,0,0,0,0,0|2,0,1]=4 334 B7R1.1 ClCc1cocn1 1P00FH8Z [1,0,0,0,0,0|2,0,1]=4 335 B7R1.1 ClCc1cscc1 1P00C23C [1,0,0,0,0,0|3,0,0]=4 336 B7R1.1 ClCc1cscn1 1P003KNK [1,0,0,0,0,0|2,0,1]=4 337 B7R1.1 ClCc1csnc1 1P01DX9B [1,0,0,0,0,0|3,0,0]=4 338 B7R1.1 ClCc1ncc[nH]1 1P00FDMX [1,0,0,0,0,0|3,0,0]=4 339 B7R1.1 ClCc1ncno1 1P019M1U [1,0,0,0,0,0|2,0,1]=4 340 B7R1.1 ClCc1nnco1 1P00370N [1,0,0,0,0,0|3,0,0]=4 341 B7R1.1 ClCc1nncs1 1P019ZE1 [1,0,0,0,0,0|3,0,0]=4 342 B7R1.1 ClCc1nnn[nH]1 1P00384P [1,0,0,0,0,0|3,0,0]=4 343 B7R1.1 NCC1=CCCC1 1P01ACZ1 [1,0,0,0,0,0|2,0,1]=4 344 B7R1.1 NCC1=NCCN1 1P005CCD [1,0,0,0,0,0|2,0,1]=4 345 B7R1.1 NCc1c[nH]cc1 1P008B5V [1,0,0,0,0,0|1,0,1]=3 346 B7R1.1 NCc1c[nH]cn1 1P00FFS6 [1,0,0,0,0,0|0,0,2]=3 347 B7R1.1 NCc1c[nH]nc1 1P000EI2 [1,0,0,0,0,0|2,0,0]=3 348 B7R1.1 NCc1cc[nH]n1 1P00398P [1,0,0,0,0,0|2,0,1]=4 349 B7R1.1 NCc1ccc[nH]1 1P0033BP [1,0,0,0,0,0|1,0,0]=2 350 B7R1.1 NCc1ccc[nH]1 1P006SOC [1,0,0,0,0,0|1,0,0]=2 351 B7R1.1 NCc1ccco1 1P00IBDE [1,0,0,0,0,0|2,0,0]=3 352 B7R1.1 NCc1cccs1 1P002V4I [1,0,0,0,0,0|2,0,0]=3 353 B7R1.1 NCc1ccn[nH]1 1P008UV1 [1,0,0,0,0,0|2,0,0]=3 354 B7R1.1 NCc1ccno1 1P0037YF [1,0,0,0,0,0|2,0,0]=3 355 B7R1.1 NCc1ccno1 1P007323 [1,0,0,0,0,0|2,0,0]=3 356 B7R1.1 NCc1ccns1 1P01B6TZ [1,0,0,0,0,0|2,0,0]=3 357 B7R1.1 NCc1ccns1 1P01B6V6 [1,0,0,0,0,0|2,0,0]=3 358 B7R1.1 NCc1ccon1 1P00811U [1,0,0,0,0,0|2,0,1]=4 359 B7R1.1 NCc1ccon1 1P009337 [1,0,0,0,0,0|2,0,1]=4 360 B7R1.1 NCc1ccsn1 1P0076B9 [1,0,0,0,0,0|2,0,1]=4 361 B7R1.1 NCc1cnco1 1P000PTG [1,0,0,0,0,0|1,0,0]=2 362 B7R1.1 NCc1cncs1 1P001WDD [1,0,0,0,0,0|1,0,0]=2 363 B7R1.1 NCc1cncs1 1P00811W [1,0,0,0,0,0|1,0,0]=2 364 B7R1.1 NCc1cnn[nH]1 1P0003MG [1,0,0,0,0,0|1,0,0]=2 365 B7R1.1 NCc1cnn[nH]1 1P007Q84 [1,0,0,0,0,0|1,0,0]=2 366 B7R1.1 NCc1cnns1 1P028N1M [1,0,0,0,0,0|2,0,0]=3 367 B7R1.1 NCc1cnns1 1P028QZG [1,0,0,0,0,0|2,0,0]=3 368 B7R1.1 NCc1cnon1 1P01EIHR [1,0,0,0,0,0|1,0,1]=3 369 B7R1.1 NCc1cnsn1 1P01BB8F [1,0,0,0,0,0|1,0,1]=3 370 B7R1.1 NCc1cocc1 1P0038AA [1,0,0,0,0,0|2,0,0]=3 371 B7R1.1 NCc1cocc1 1P009BQA [1,0,0,0,0,0|2,0,0]=3 372 B7R1.1 NCc1cocn1 1P0039FL [1,0,0,0,0,0|1,0,1]=3 373 B7R1.1 NCc1cocn1 1P00DG0B [1,0,0,0,0,0|1,0,1]=3 374 B7R1.1 NCc1conc1 1P001ZPV [1,0,0,0,0,0|2,0,0]=3 375 B7R1.1 NCc1cscc1 1P000GRT [1,0,0,0,0,0|2,0,0]=3 376 B7R1.1 NCc1cscc1 1P002V4H [1,0,0,0,0,0|2,0,0]=3 377 B7R1.1 NCc1cscn1 1P000E2I [1,0,0,0,0,0|1,0,1]=3 378 B7R1.1 NCc1cscn1 1P001WF7 [1,0,0,0,0,0|1,0,1]=3 379 B7R1.1 NCc1csnc1 1P01FJYB [1,0,0,0,0,0|2,0,0]=3 380 B7R1.1 NCc1csnc1 1P01FJYC [1,0,0,0,0,0|2,0,0]=3 381 B7R1.1 NCc1csnn1 1P00VVY0 [1,0,0,0,0,0|2,0,1]=4 382 B7R1.1 NCc1nc[nH]c1 1P0038XO [1,0,0,0,0,0|0,0,2]=3 383 B7R1.1 NCc1ncc[nH]1 1P001A1F [1,0,0,0,0,0|2,0,0]=3 384 B7R1.1 NCc1ncc[nH]1 1P003A7Q [1,0,0,0,0,0|2,0,0]=3 385 B7R1.1 NCc1ncco1 1P0038HB [1,0,0,0,0,0|2,0,1]=4 386 B7R1.1 NCc1ncco1 1P028B4B [1,0,0,0,0,0|2,0,1]=4 387 B7R1.1 NCc1nccs1 1P0033BR [1,0,0,0,0,0|2,0,1]=4 388 B7R1.1 NCc1nccs1 1P0037J6 [1,0,0,0,0,0|2,0,1]=4 389 B7R1.1 NCc1nccs1 1P00G4H4 [1,0,0,0,0,0|2,0,1]=4 390 B7R1.1 NCc1ncn[nH]1 1P000PYO [1,0,0,0,0,0|1,0,1]=3 391 B7R1.1 NCc1ncn[nH]1 1P00EAG9 [1,0,0,0,0,0|1,0,1]=3 392 B7R1.1 NCc1ncn[nH]1 1P00H3I1 [1,0,0,0,0,0|1,0,1]=3 393 B7R1.1 NCc1ncno1 1P01FJYD [1,0,0,0,0,0|1,0,1]=3 394 B7R1.1 NCc1ncsc1 1P00J1AF [1,0,0,0,0,0|1,0,1]=3 395 B7R1.1 NCc1nn[nH]c1 1P027PDD [1,0,0,0,0,0|1,0,2]=4 396 B7R1.1 NCc1nnco1 1P001950 [1,0,0,0,0,0|2,0,0]=3 397 B7R1.1 NCc1nnn[nH]1 1P003MNC [1,0,0,0,0,0|2,0,0]=3 398 B7R1.1 NCc1nnn[nH]1 1P003NFG [1,0,0,0,0,0|2,0,0]=3 399 B7R1.1 NCc1nocn1 1P00CJHT [1,0,0,0,0,0|2,0,1]=4 400 B7R1.1 NCc1nscn1 1P028A0H [1,0,0,0,0,0|2,0,1]=4 401 B7R1.1 NCc1ocnc1 1P009I2F [1,0,0,0,0,0|1,0,0]=2 402 B7R1.1 NCc1scnc1 1P0015PG [1,0,0,0,0,0|1,0,0]=2 403 B7R1.1 NCc1scnn1 1P01BSDS [1,0,0,0,0,0|2,0,0]=3 404 B7R1.1 NNc1ncns1 1P0287PI [1,0,0,0,0,0|2,0,1]=4 405 B7R1.1 NNc1nnc[nH]1 1P01E8XT [1,0,0,0,0,0|2,0,0]=3 406 B7R1.1 O=Cc1ccc[nH]1 1P0001Y8 [1,0,0,0,0,0|2,0,1]=4 407 B7R1.1 O=Cc1cnc[nH]1 1P00309Z [1,0,0,0,0,0|1,0,1]=3 408 B7R1.1 O=Cc1cnco1 1P007RNX [1,0,0,0,0,0|2,0,1]=4 409 B7R1.1 O=Cc1cncs1 1P0001Y5 [1,0,0,0,0,0|2,0,1]=4 410 B7R1.1 OCc1c[nH]cc1 1P00FVQG [1,0,0,0,0,0|2,0,1]=4 411 B7R1.1 OCc1c[nH]cn1 1P0038JP [1,0,0,0,0,0|1,0,2]=4 412 B7R1.1 OCc1c[nH]cn1 1P0056GC [1,0,0,0,0,0|1,0,2]=4 413 B7R1.1 OCc1c[nH]nc1 1P002RF9 [1,0,0,0,0,0|3,0,0]=4 414 B7R1.1 OCc1ccco1 1P003R60 [1,0,0,0,0,0|3,0,0]=4 415 B7R1.1 OCc1cccs1 1P003BQJ [1,0,0,0,0,0|3,0,0]=4 416 B7R1.1 OCc1ccno1 1P006AUF [1,0,0,0,0,0|3,0,0]=4 417 B7R1.1 OCc1ccns1 1P00ACUC [1,0,0,0,0,0|3,0,0]=4 418 B7R1.1 OCc1cnco1 1P000X8T [1,0,0,0,0,0|2,0,0]=3 419 B7R1.1 OCc1cncs1 1P0034R1 [1,0,0,0,0,0|2,0,0]=3 420 B7R1.1 OCc1cnns1 1P008RO7 [1,0,0,0,0,0|3,0,0]=4 421 B7R1.1 OCc1cnon1 1P019T2P [1,0,0,0,0,0|2,0,1]=4 422 B7R1.1 OCc1cnsn1 1P01BCP3 [1,0,0,0,0,0|2,0,1]=4 423 B7R1.1 OCc1cocc1 1P0072QO [1,0,0,0,0,0|3,0,0]=4 424 B7R1.1 OCc1cocn1 1P001ON1 [1,0,0,0,0,0|2,0,1]=4 425 B7R1.1 OCc1conc1 1P0038JR [1,0,0,0,0,0|3,0,0]=4 426 B7R1.1 OCc1cscc1 1P003KDJ [1,0,0,0,0,0|3,0,0]=4 427 B7R1.1 OCc1cscn1 1P003AEU [1,0,0,0,0,0|2,0,1]=4 428 B7R1.1 OCc1csnc1 1P00BAEG [1,0,0,0,0,0|3,0,0]=4 429 B7R1.1 OCc1ncc[nH]1 1P000CAH [1,0,0,0,0,0|3,0,0]=4 430 B7R1.1 OCc1ncc[nH]1 1P00BYAS [1,0,0,0,0,0|3,0,0]=4 431 B7R1.1 OCc1ncn[nH]1 1P000KXU [1,0,0,0,0,0|2,0,1]=4 432 B7R1.1 OCc1ncn[nH]1 1P000POT [1,0,0,0,0,0|2,0,1]=4 433 B7R1.1 OCc1ncno1 1P01DTPJ [1,0,0,0,0,0|2,0,1]=4 434 B7R1.1 OCc1nncs1 1P00E8XG [1,0,0,0,0,0|3,0,0]=4 435 B7R1.1 OCn1cncn1 1P008R9D [1,0,0,0,0,0|2,0,1]=4 436 B7R1.1 SCc1ccc[nH]1 1P01DX9D [1,0,0,0,0,0|2,0,0]=3 437 B7R1.1 SCc1ccco1 1P003R61 [1,0,0,0,0,0|3,0,0]=4 438 B7R1.1 SCc1cccs1 1P003IEO [1,0,0,0,0,0|3,0,0]=4 439 B7R1.1 SCc1ccno1 1P020M66 [1,0,0,0,0,0|3,0,0]=4 440 B7R1.1 SCc1cncs1 1P028027 [1,0,0,0,0,0|2,0,0]=3 441 B7R1.1 SCc1cocc1 1P01Q6AT [1,0,0,0,0,0|3,0,0]=4 442 B7R1.1 SCc1cocn1 1P028V8N [1,0,0,0,0,0|2,0,1]=4 443 B7R1.1 SCc1conc1 1P028BD5 [1,0,0,0,0,0|3,0,0]=4 444 B7R1.1 SCc1cscc1 1P001V2D [1,0,0,0,0,0|3,0,0]=4 445 B7R1.1 SCc1cscn1 1P007YQ1 [1,0,0,0,0,0|2,0,1]=4 446 B7R1.1 c1ncoc1C#N 1P00FEG2 [1,0,0,0,0,0|1,0,2]=4 447 B7R1.1 c1ncsc1C#N 1P007MOG [1,0,0,0,0,0|1,0,2]=4 448 B9R1.7 BrCCc1cnn(c1)C 1P01AJCB [0,1,0,0,0,0|3,0,0]=4 449 B9R1.7 BrCCc1csc(c1)C 1P027WGA [0,1,0,0,0,0|3,0,0]=4 450 B9R1.7 BrCCn1cnc(n1)Br 1P01AML8 [0,1,0,0,0,0|2,0,1]=4 451 B9R1.7 Brc1cc([nH]c1)CC#N 1P01IORH [0,1,0,0,0,0|1,0,2]=4 452 B9R1.7 CCCc1[nH]nc(n1)C 1P019RAY [0,1,0,0,0,0|2,0,1]=4 453 B9R1.7 CCCc1c[nH]c(=N)s1 1P0076N1 [0,1,0,0,0,0|2,0,1]=4 454 B9R1.7 CCCc1c[nH]c(=O)[nH]1 1P0003D4 [0,1,0,0,0,0|1,0,1]=3 455 B9R1.7 CCCc1cc(n[nH]1)N 1P000TN0 [0,1,0,0,0,0|3,0,0]=4 456 B9R1.7 CCCc1cc(n[nH]1)N 1P01AHJ9 [0,1,0,0,0,0|3,0,0]=4 457 B9R1.7 CCCc1cc(no1)N 1P00IAF8 [0,1,0,0,0,0|3,0,0]=4 458 B9R1.7 CCCc1ccc(s1)Br 1P007DLW [0,1,0,0,0,0|3,0,0]=4 459 B9R1.7 CCCc1coc(n1)Br 1P01BAUE [0,1,0,0,0,0|2,0,1]=4 460 B9R1.7 CCCc1csc(n1)C 1P00D7JO [0,1,0,0,0,0|2,0,1]=4 461 B9R1.7 CCCc1csc(n1)N 1P00EGKN [0,1,0,0,0,0|2,0,1]=4 462 B9R1.7 CCCc1csc(n1)N 1P01A4B0 [0,1,0,0,0,0|2,0,1]=4 463 B9R1.7 CCCc1nc(c[nH]1)Br 1P00J2YS [0,1,0,0,0,0|3,0,0]=4 464 B9R1.7 CCCc1nc(c[nH]1)I 1P01DHCF [0,1,0,0,0,0|3,0,0]=4 465 B9R1.7 CCCc1nc(n[nH]1)Br 1P009EF7 [0,1,0,0,0,0|2,0,1]=4 466 B9R1.7 CCCc1nc(no1)N 1P00ADB3 [0,1,0,0,0,0|2,0,1]=4 467 B9R1.7 CCCc1nnc(o1)N 1P00FEYV [0,1,0,0,0,0|3,0,0]=4 468 B9R1.7 CCCc1nnc(o1)O 1P00J32U [0,1,0,0,0,0|3,0,0]=4 469 B9R1.7 CCCc1nnc(o1)S 1P01A10N [0,1,0,0,0,0|3,0,0]=4 470 B9R1.7 CCCc1nnc(s1)Br 1P00HTQX [0,1,0,0,0,0|3,0,0]=4 471 B9R1.7 CCCc1nnc(s1)Cl 1P00HE53 [0,1,0,0,0,0|3,0,0]=4 472 B9R1.7 CCCc1nnc(s1)N 1P00BZ38 [0,1,0,0,0,0|3,0,0]=4 473 B9R1.7 CCCn1cnc(c1)Br 1P00A63S [0,1,0,0,0,0|3,0,0]=4 474 B9R1.7 CCCn1cnc(c1)N 1P01FJX8 [0,1,0,0,0,0|3,0,0]=4 475 B9R1.7 CCCn1cnc(n1)N 1P00F29T [0,1,0,0,0,0|2,0,1]=4 476 B9R1.7 CCOc1nnc([nH]1)C 1P00GTG4 [0,1,0,0,0,0|3,0,0]=4 477 B9R1.7 CNCc1cc(c[nH]1)I 1P027TY7 [0,1,0,0,0,0|3,0,0]=4 478 B9R1.7 CNCc1ccc([nH]1)C 1P027TXD [0,1,0,0,0,0|3,0,0]=4 479 B9R1.7 CNCc1cnc(s1)C 1P00F69E [0,1,0,0,0,0|3,0,0]=4 480 B9R1.7 CNCc1nnc([nH]1)N 1P028KD1 [0,1,0,0,0,0|3,0,0]=4 481 B9R1.7 COCc1cnc(o1)Br 1P028PDD [0,1,0,0,0,0|3,0,0]=4 482 B9R1.7 COCc1cnc(s1)N 1P01B9U9 [0,1,0,0,0,0|3,0,0]=4 483 B9R1.7 COCc1nnc([nH]1)S 1P01A0KE [0,1,0,0,0,0|3,0,0]=4 484 B9R1.7 Cc1cc(no1)CCN 1P01DXNK [0,1,0,0,0,0|2,0,1]=4 485 B9R1.7 Cc1cc(no1)CCN 1P01EIG0 [0,1,0,0,0,0|2,0,1]=4 486 B9R1.7 Cc1cc(on1)CCBr 1P028TDA [0,1,0,0,0,0|3,0,0]=4 487 B9R1.7 Cc1cc(on1)CCCl 1P018SCV [0,1,0,0,0,0|3,0,0]=4 488 B9R1.7 Cc1cc(on1)CCN 1P01BBDJ [0,1,0,0,0,0|2,0,0]=3 489 B9R1.7 Cc1cc(sc1)CCN 1P028915 [0,1,0,0,0,0|2,0,0]=3 490 B9R1.7 Cc1ccc(o1)CCN 1P0031S1 [0,1,0,0,0,0|2,0,0]=3 491 B9R1.7 Cc1ccc(o1)CCO 1P00CNQA [0,1,0,0,0,0|3,0,0]=4 492 B9R1.7 Cc1ccc(s1)CCBr 1P028V6A [0,1,0,0,0,0|3,0,0]=4 493 B9R1.7 Cc1ccc(s1)CCN 1P0015S3 [0,1,0,0,0,0|2,0,0]=3 494 B9R1.7 Cc1ccc(s1)CCN 1P0030KN [0,1,0,0,0,0|2,0,0]=3 495 B9R1.7 Cc1ccc(s1)CCO 1P01BBAZ [0,1,0,0,0,0|3,0,0]=4 496 B9R1.7 Cc1ccn(n1)CCN 1P00EBCC [0,1,0,0,0,0|2,0,1]=4 497 B9R1.7 Cc1cn(nc1)CCN 1P008VNH [0,1,0,0,0,0|2,0,1]=4 498 B9R1.7 Cc1cn(nn1)CCN 1P008VSA [0,1,0,0,0,0|3,0,0]=4 499 B9R1.7 Cc1cnc(s1)CCN 1P00JDK5 [0,1,0,0,0,0|2,0,1]=4 500 B9R1.7 Cc1csc(n1)CCN 1P00EERS [0,1,0,0,0,0|2,0,1]=4 501 B9R1.7 Cc1nc(c[nH]1)CCO 1P0282J5 [0,1,0,0,0,0|1,0,2]=4 502 B9R1.7 Cc1nc(co1)CCN 1P028JV2 [0,1,0,0,0,0|1,0,1]=3 503 B9R1.7 Cc1nc(cs1)CCCl 1P008VZ8 [0,1,0,0,0,0|2,0,1]=4 504 B9R1.7 Cc1nc(cs1)CCCl 1P00J2C8 [0,1,0,0,0,0|2,0,1]=4 505 B9R1.7 Cc1nc(cs1)CCO 1P007QY7 [0,1,0,0,0,0|2,0,1]=4 506 B9R1.7 Cc1nc(on1)CCN 1P00938R [0,1,0,0,0,0|1,0,1]=3 507 B9R1.7 Cc1ncc(o1)CC#N 1P01BUCE [0,1,0,0,0,0|1,0,2]=4 508 B9R1.7 Cc1ncc(s1)CC#N 1P01AIBF [0,1,0,0,0,0|1,0,2]=4 509 B9R1.7 Cc1ncc(s1)CCN 1P01A1Y4 [0,1,0,0,0,0|1,0,0]=2 510 B9R1.7 Cc1ncc(s1)CCO 1P018KUW [0,1,0,0,0,0|2,0,0]=3 511 B9R1.7 Cc1nnc([nH]1)CCCl 1P028Y66 [0,1,0,0,0,0|2,0,0]=3 512 B9R1.7 Cc1nnc([nH]1)CCO 1P0287NB [0,1,0,0,0,0|2,0,0]=3 513 B9R1.7 Cc1nnc(o1)CCBr 1P01CAO9 [0,1,0,0,0,0|3,0,0]=4 514 B9R1.7 Cc1nnc(o1)CCN 1P00EAFW [0,1,0,0,0,0|2,0,0]=3 515 B9R1.7 Cc1nnc(o1)CCO 1P01AFMP [0,1,0,0,0,0|3,0,0]=4 516 B9R1.7 Cc1nnc(s1)CCN 1P00G51B [0,1,0,0,0,0|2,0,0]=3 517 B9R1.7 Cc1nnc(s1)CCO 1P00GMBV [0,1,0,0,0,0|3,0,0]=4 518 B9R1.7 ClCCc1cnn(c1)C 1P00HBX3 [0,1,0,0,0,0|3,0,0]=4 519 B9R1.7 Clc1ncc(s1)CC#N 1P00H1TY [0,1,0,0,0,0|1,0,2]=4 520 B9R1.7 Cn1cc(nc1)CCO 1P01DWZ2 [0,1,0,0,0,0|1,0,2]=4 521 B9R1.7 Cn1cc(nn1)CCN 1P01C4YP [0,1,0,0,0,0|1,0,2]=4 522 B9R1.7 Cn1ccc(n1)CCN 1P00JGNI [0,1,0,0,0,0|2,0,1]=4 523 B9R1.7 Cn1nc(cn1)CCO 1P01DTIP [0,1,0,0,0,0|2,0,1]=4 524 B9R1.7 FCCn1cnc(n1)Br 1P028AUX [0,1,0,0,0,0|2,0,1]=4 525 B9R1.7 NCCC1CCC(=O)N1 1P01BA44 [0,1,0,0,0,0|1,0,2]=4 526 B9R1.7 NCCC1CCC(=O)N1 1P01BA45 [0,1,0,0,0,0|1,0,2]=4 527 B9R1.7 NCC[C@@H]1CCC(=O)N1 1P01C5CZ [0,1,0,0,0,0|1,0,2]=4 528 B9R1.7 NCC[C@@H]1CCC(=O)N1 1P01C5D0 [0,1,0,0,0,0|1,0,2]=4 529 B9R1.7 NCC[C@H]1CCC(=O)N1 1P0289O2 [0,1,0,0,0,0|1,0,2]=4 530 B9R1.7 NCCc1[nH][nH]c(=O)c1 1P01A1UC [0,1,0,0,0,0|2,0,0]=3 531 B9R1.7 NCCc1[nH]nc(c1)C 1P028L9M [0,1,0,0,0,0|2,0,0]=3 532 B9R1.7 NCCc1[nH]nc(n1)Br 1P028CRI [0,1,0,0,0,0|1,0,1]=3 533 B9R1.7 NCCc1[nH]nc(n1)N 1P01BCKA [0,1,0,0,0,0|1,0,1]=3 534 B9R1.7 NCCc1cc(cs1)Br 1P000EG0 [0,1,0,0,0,0|2,0,0]=3 535 B9R1.7 NCCc1cc(no1)Br 1P028W5V [0,1,0,0,0,0|2,0,0]=3 536 B9R1.7 NCCc1cc(no1)O 1P01FIC2 [0,1,0,0,0,0|2,0,0]=3 537 B9R1.7 NCCc1ccc(o1)Br 1P01A1LP [0,1,0,0,0,0|2,0,0]=3 538 B9R1.7 NCCc1ccc(o1)Br 1P01AES0 [0,1,0,0,0,0|2,0,0]=3 539 B9R1.7 NCCc1ccc(s1)Br 1P00H3HI [0,1,0,0,0,0|2,0,0]=3 540 B9R1.7 NCCc1ccc(s1)Cl 1P00DK83 [0,1,0,0,0,0|2,0,0]=3 541 B9R1.7 NCCc1ccc(s1)I 1P01AA75 [0,1,0,0,0,0|2,0,0]=3 542 B9R1.7 NCCc1ccn(n1)C 1P00IW99 [0,1,0,0,0,0|2,0,1]=4 543 B9R1.7 NCCc1cnc([nH]1)N 1P01B76X [0,1,0,0,0,0|0,0,0]=1 544 B9R1.7 NCCc1cnc([nH]1)S 1P028RRV [0,1,0,0,0,0|0,0,0]=1 545 B9R1.7 NCCc1cnc(o1)C 1P01FJW6 [0,1,0,0,0,0|1,0,0]=2 546 B9R1.7 NCCc1cnc(s1)Br 1P028AL1 [0,1,0,0,0,0|1,0,0]=2 547 B9R1.7 NCCc1cnc(s1)Cl 1P01AFTH [0,1,0,0,0,0|1,0,0]=2 548 B9R1.7 NCCc1cnc(s1)N 1P009288 [0,1,0,0,0,0|1,0,0]=2 549 B9R1.7 NCCc1cnn(c1)C 1P008M4B [0,1,0,0,0,0|2,0,0]=3 550 B9R1.7 NCCc1cnn(c1)C 1P00J3I9 [0,1,0,0,0,0|2,0,0]=3 551 B9R1.7 NCCc1cnn(c1)C 1P0288TC [0,1,0,0,0,0|2,0,0]=3 552 B9R1.7 NCCc1csc(=O)[nH]1 1P01BDB6 [0,1,0,0,0,0|1,0,0]=2 553 B9R1.7 NCCc1csc(c1)Br 1P027PD7 [0,1,0,0,0,0|2,0,0]=3 554 B9R1.7 NCCc1csc(n1)C 1P01A3PD [0,1,0,0,0,0|1,0,1]=3 555 B9R1.7 NCCc1csc(n1)C 1P028D1O [0,1,0,0,0,0|1,0,1]=3 556 B9R1.7 NCCc1csc(n1)N 1P00H274 [0,1,0,0,0,0|1,0,1]=3 557 B9R1.7 NCCc1csc(n1)N 1P00J1OU [0,1,0,0,0,0|1,0,1]=3 558 B9R1.7 NCCc1csc(n1)N 1P01BFXR [0,1,0,0,0,0|1,0,1]=3 559 B9R1.7 NCCc1n[nH]c(=O)[nH]1 1P00J1LK [0,1,0,0,0,0|1,0,1]=3 560 B9R1.7 NCCc1n[nH]c(=O)o1 1P027UPE [0,1,0,0,0,0|2,0,1]=4 561 B9R1.7 NCCc1n[nH]c(=S)o1 1P01ADL0 [0,1,0,0,0,0|2,0,1]=4 562 B9R1.7 NCCc1n[nH]c(n1)C 1P01ABWJ [0,1,0,0,0,0|1,0,2]=4 563 B9R1.7 NCCc1n[nH]c(n1)N 1P00IKSU [0,1,0,0,0,0|1,0,2]=4 564 B9R1.7 NCCc1nc(=O)o[nH]1 1P01BGKR [0,1,0,0,0,0|2,0,1]=4 565 B9R1.7 NCCc1nc([nH]c1)C 1P007AK9 [0,1,0,0,0,0|0,0,2]=3 566 B9R1.7 NCCc1nc(n[nH]1)Br 1P028Q4E [0,1,0,0,0,0|1,0,1]=3 567 B9R1.7 NCCc1ncc(o1)C 1P028TLR [0,1,0,0,0,0|2,0,1]=4 568 B9R1.7 NCCc1ncc(s1)Br 1P01BCLS [0,1,0,0,0,0|2,0,1]=4 569 B9R1.7 NCCc1ncc(s1)C 1P01AI7W [0,1,0,0,0,0|2,0,1]=4 570 B9R1.7 NCCc1ncn(c1)C 1P003911 [0,1,0,0,0,0|0,0,2]=3 571 B9R1.7 NCCc1ncn(c1)C 1P027ZH8 [0,1,0,0,0,0|0,0,2]=3 572 B9R1.7 NCCc1ncn(n1)C 1P019ZLR [0,1,0,0,0,0|1,0,2]=4 573 B9R1.7 NCCc1ncn(n1)C 1P027Z6P [0,1,0,0,0,0|1,0,2]=4 574 B9R1.7 NCCc1nnc(o1)N 1P01AGIW [0,1,0,0,0,0|2,0,0]=3 575 B9R1.7 NCCc1nnc(s1)C 1P00J1XW [0,1,0,0,0,0|2,0,0]=3 576 B9R1.7 NCCc1noc(n1)C 1P00HJ6V [0,1,0,0,0,0|2,0,1]=4 577 B9R1.7 NCCc1onc(n1)N 1P019SAG [0,1,0,0,0,0|1,0,1]=3 578 B9R1.7 NCCc1snc(c1)C 1P0291UB [0,1,0,0,0,0|2,0,0]=3 579 B9R1.7 NCCn1cc(cn1)Br 1P01BBBI [0,1,0,0,0,0|2,0,1]=4 580 B9R1.7 NCCn1cc(cn1)Cl 1P0058WK [0,1,0,0,0,0|2,0,1]=4 581 B9R1.7 NCCn1cc(cn1)F 1P01K1OC [0,1,0,0,0,0|2,0,1]=4 582 B9R1.7 NCCn1cc(cn1)I 1P01FJ5X [0,1,0,0,0,0|2,0,1]=4 583 B9R1.7 NCCn1cc(nn1)Br 1P028S7G [0,1,0,0,0,0|3,0,0]=4 584 B9R1.7 NCCn1ccc(n1)Br 1P01AP4W [0,1,0,0,0,0|2,0,1]=4 585 B9R1.7 NCCn1ccc(n1)C 1P01DTPF [0,1,0,0,0,0|2,0,1]=4 586 B9R1.7 NCCn1cnc(c1)I 1P028VUH [0,1,0,0,0,0|2,0,0]=3 587 B9R1.7 NCCn1ncc(c1)C 1P00J275 [0,1,0,0,0,0|2,0,1]=4 588 B9R1.7 NCCn1nnc(n1)C 1P01A0E6 [0,1,0,0,0,0|2,0,1]=4 589 B9R1.7 NNCc1cnn(c1)C 1P00HVW6 [0,1,0,0,0,0|3,0,0]=4 590 B9R1.7 NOCc1cnc(s1)C 1P0284RB [0,1,0,0,0,0|2,0,0]=3 591 B9R1.7 Nc1cc([nH]n1)CCO 1P01KLJP [0,1,0,0,0,0|3,0,0]=4 592 B9R1.7 Nc1nc(cs1)CCCl 1P0292FN [0,1,0,0,0,0|2,0,1]=4 593 B9R1.7 Nc1nc(cs1)CCO 1P0020BA [0,1,0,0,0,0|2,0,1]=4 594 B9R1.7 Nc1nc(cs1)CCO 1P00J25V [0,1,0,0,0,0|2,0,1]=4 595 B9R1.7 Nc1ncc(s1)CCBr 1P0285CQ [0,1,0,0,0,0|2,0,0]=3 596 B9R1.7 Nc1ncc(s1)CCO 1P0033K3 [0,1,0,0,0,0|2,0,0]=3 597 B9R1.7 Nc1nn(cn1)CCF 1P01DRFR [0,1,0,0,0,0|2,0,1]=4 598 B9R1.7 Nc1nn(cn1)CCO 1P00J1N2 [0,1,0,0,0,0|2,0,1]=4 599 B9R1.7 Nc1nn(cn1)CCO 1P00J3G5 [0,1,0,0,0,0|2,0,1]=4 600 B9R1.7 OCCc1cc(no1)Br 1P008UEY [0,1,0,0,0,0|3,0,0]=4 601 B9R1.7 OCCc1ccc(s1)Br 1P01DWYV [0,1,0,0,0,0|3,0,0]=4 602 B9R1.7 OCCc1ccc(s1)Cl 1P01EARD [0,1,0,0,0,0|3,0,0]=4 603 B9R1.7 OCCc1cnc(s1)Cl 1P0026F7 [0,1,0,0,0,0|2,0,0]=3 604 B9R1.7 OCCc1cnn(c1)C 1P00259D [0,1,0,0,0,0|3,0,0]=4 605 B9R1.7 OCCc1csc(c1)Br 1P01BHKN [0,1,0,0,0,0|3,0,0]=4 606 B9R1.7 OCCc1csc(c1)C 1P01BBDV [0,1,0,0,0,0|3,0,0]=4 607 B9R1.7 OCCc1csc(c1)Cl 1P0288A7 [0,1,0,0,0,0|3,0,0]=4 608 B9R1.7 OCCc1csc(n1)Br 1P002T5S [0,1,0,0,0,0|2,0,1]=4 609 B9R1.7 OCCn1ccc(=O)[nH]1 1P028HFB [0,1,0,0,0,0|3,0,0]=4 610 B9R1.7 OCCn1cnc(n1)Br 1P01ALK8 [0,1,0,0,0,0|2,0,1]=4 611 B9R1.7 OCCn1cnc(n1)Br 1P01ALOS [0,1,0,0,0,0|2,0,1]=4 612 B9R1.7 OCCn1cnc(n1)Cl 1P00J4AE [0,1,0,0,0,0|2,0,1]=4 613 B9R1.11 BrCC(=O)c1ccc[nH]1 1P005CA3 [0,1,0,0,0,0|2,0,1]=4 614 B9R1.11 CC(n1cncn1)CCl 1P00J2J4 [0,1,0,0,0,0|2,0,1]=4 615 B9R1.11 CC(n1cncn1)CO 1P008VNE [0,1,0,0,0,0|2,0,1]=4 616 B9R1.11 CCC(=O)c1ccc[nH]1 1P003ID5 [0,1,0,0,0,0|2,0,1]=4 617 B9R1.11 CCC(=O)c1cnc[nH]1 1P00BHRO [0,1,0,0,0,0|1,0,1]=3 618 B9R1.11 CCC(=O)c1cnco1 1P028798 [0,1,0,0,0,0|2,0,1]=4 619 B9R1.11 CCC(=O)c1nnc[nH]1 1P0287AH [0,1,0,0,0,0|2,0,1]=4 620 B9R1.11 CCC(c1c[nH]nc1)C 1P01SB3L [0,1,0,0,0,0|3,0,0]=4 621 B9R1.11 CCC(c1ccco1)N 1P01ASY7 [0,1,0,0,0,0|3,0,0]=4 622 B9R1.11 CCC(c1cccs1)N 1P00J3T4 [0,1,0,0,0,0|3,0,0]=4 623 B9R1.11 CCC(c1cccs1)O 1P01DZQ6 [0,1,0,0,0,0|3,0,0]=4 624 B9R1.11 CCC(c1cocn1)N 1P028JJG [0,1,0,0,0,0|2,0,1]=4 625 B9R1.11 CCC(c1ncc[nH]1)N 1P019U6F [0,1,0,0,0,0|3,0,0]=4 626 B9R1.11 CCC(c1ncc[nH]1)O 1P01BFPD [0,1,0,0,0,0|3,0,0]=4 627 B9R1.11 CCC(c1ncsc1)N 1P01KLPF [0,1,0,0,0,0|2,0,1]=4 628 B9R1.11 CCC(c1nnc[nH]1)Cl 1P01FILM [0,1,0,0,0,0|2,0,0]=3 629 B9R1.11 CCC(c1nnc[nH]1)N 1P01AL0P [0,1,0,0,0,0|2,0,0]=3 630 B9R1.11 CCC(c1nnc[nH]1)O 1P01FIBZ [0,1,0,0,0,0|2,0,0]=3 631 B9R1.11 CCC(c1nnn[nH]1)N 1P01AHNK [0,1,0,0,0,0|3,0,0]=4 632 B9R1.11 CCC(n1cncc1)C 1P002DER [0,1,0,0,0,0|3,0,0]=4 633 B9R1.11 CC[C@@H](c1cccs1)N 1P01BGQU [0,1,0,0,0,0|3,0,0]=4 634 B9R1.11 ClCC(=O)c1ccc[nH]1 1P00DIVX [0,1,0,0,0,0|2,0,1]=4 635 B9R1.11 ClCC(=O)c1cnco1 1P01EMGZ [0,1,0,0,0,0|2,0,1]=4 636 B9R1.11 ClCC(=O)c1cncs1 1P028UK9 [0,1,0,0,0,0|2,0,1]=4 637 B9R1.11 ICC(=O)c1ccc[nH]1 1P01C1RM [0,1,0,0,0,0|2,0,1]=4 638 B9R1.11 NCC(=O)c1ccc[nH]1 1P027ZXO [0,1,0,0,0,0|1,0,1]=3 639 B9R1.11 NCC(=O)c1ccco1 1P0045RE [0,1,0,0,0,0|2,0,1]=4 640 B9R1.11 NCC(=O)c1cscn1 1P028AIH [0,1,0,0,0,0|1,0,2]=4 641 B9R1.11 NCC(c1ccco1)O 1P00C1QL [0,1,0,0,0,0|2,0,0]=3 642 B9R1.11 NCC(c1cccs1)C 1P01AKCV [0,1,0,0,0,0|2,0,0]=3 643 B9R1.11 NCC(c1cccs1)O 1P01AIA5 [0,1,0,0,0,0|2,0,0]=3 644 B9R1.11 NCC(c1cocc1)O 1P028IXV [0,1,0,0,0,0|2,0,0]=3 645 B9R1.11 NCC(c1cscc1)C 1P019TLO [0,1,0,0,0,0|2,0,0]=3 646 B9R1.11 NCC(c1cscc1)C 1P01RJKJ [0,1,0,0,0,0|2,0,0]=3 647 B9R1.11 NCC(c1cscc1)O 1P009215 [0,1,0,0,0,0|2,0,0]=3 648 B9R1.11 NCC(c1nc[nH]c1)F 1P028A2Z [0,1,0,0,0,0|0,0,2]=3 649 B9R1.11 NCC(c1nc[nH]c1)O 1P01BIWS [0,1,0,0,0,0|0,0,2]=3 650 B9R1.11 NCC(c1ncc[nH]1)C 1P01DXBZ [0,1,0,0,0,0|2,0,0]=3 651 B9R1.11 NCC(c1nccs1)C 1P01A7JT [0,1,0,0,0,0|2,0,1]=4 652 B9R1.11 NCC(c1nnn[nH]1)C 1P01AC57 [0,1,0,0,0,0|2,0,0]=3 653 B9R1.11 NCC(c1nocn1)C 1P01EIJJ [0,1,0,0,0,0|2,0,1]=4 654 B9R1.11 NCC(n1cccn1)C 1P000EF5 [0,1,0,0,0,0|2,0,1]=4 655 B9R1.11 NC[C@@H](c1n[nH]cn1)O 1P027V0R [0,1,0,0,0,0|1,0,2]=4 656 B9R1.11 NC[C@@H](n1ccnn1)C 1P028T9Q [0,1,0,0,0,0|3,0,0]=4 657 B9R1.11 NC[C@H](n1ccnn1)C 1P028RT2 [0,1,0,0,0,0|3,0,0]=4 658 B9R1.11 NNC(=O)c1ccc[nH]1 1P00DA8K [0,1,0,0,0,0|2,0,1]=4 659 B9R1.11 NNC(=O)c1cnc[nH]1 1P0027Y3 [0,1,0,0,0,0|1,0,1]=3 660 B9R1.11 NNC(=O)c1cnco1 1P0046TI [0,1,0,0,0,0|2,0,1]=4 661 B9R1.11 NNC(=O)c1cncs1 1P0004K2 [0,1,0,0,0,0|2,0,1]=4 662 B9R1.11 NNC(=O)c1cnn[nH]1 1P002PEC [0,1,0,0,0,0|2,0,1]=4 663 B9R1.11 OC(c1cscn1)CO 1P01DW7E [0,1,0,0,0,0|2,0,1]=4 664 B9R1.11 OC(c1cscn1)CO 1P01FLFC [0,1,0,0,0,0|2,0,1]=4 665 B9R1.11 OCC(c1ccco1)N 1P00BJSX [0,1,0,0,0,0|3,0,0]=4 666 B9R1.11 OCC(c1cccs1)N 1P00I4GJ [0,1,0,0,0,0|3,0,0]=4 667 B9R1.11 OCC(c1cscc1)N 1P0096QN [0,1,0,0,0,0|3,0,0]=4 668 B9R1.11 OCC(c1ncc[nH]1)C 1P001KIP [0,1,0,0,0,0|3,0,0]=4 669 B9R1.11 OCC(c1ncc[nH]1)N 1P01EMU4 [0,1,0,0,0,0|3,0,0]=4 670 B9R1.11 OCC(c1ncsc1)N 1P028GPX [0,1,0,0,0,0|2,0,1]=4 671 B9R1.11 OCC(n1cncc1)C 1P00ADH4 [0,1,0,0,0,0|3,0,0]=4 672 B9R1.11 OC[C@H](c1ccco1)N 1P024G1T [0,1,0,0,0,0|3,0,0]=4 673 B9R1.11 OC[C@H](c1ccco1)O 1P001DDJ [0,1,0,0,0,0|3,0,0]=4 674 B9R1.11 OC[C@H](c1ncsc1)N 1P024HF9 [0,1,0,0,0,0|2,0,1]=4 675 B9R1.12 BrCCCc1c[nH]nc1 1P01ST7F [0,1,0,0,0,0|3,0,0]=4 676 B9R1.12 BrCCCc1cccs1 1P01BL7U [0,1,0,0,0,0|3,0,0]=4 677 B9R1.12 BrCCCc1cocc1 1P01BL8R [0,1,0,0,0,0|3,0,0]=4 678 B9R1.12 BrCCCc1conc1 1P01ANTZ [0,1,0,0,0,0|3,0,0]=4 679 B9R1.12 BrCCCc1cscc1 1P01A6PE [0,1,0,0,0,0|3,0,0]=4 680 B9R1.12 BrCCCc1nnn[nH]1 1P01B2QU [0,1,0,0,0,0|3,0,0]=4 681 B9R1.12 BrCCCn1cncn1 1P01FIOK [0,1,0,0,0,0|2,0,1]=4 682 B9R1.12 C#CCCc1ccco1 1P01XIDT [0,1,0,0,0,0|3,0,0]=4 683 B9R1.12 C#CCCc1nnn[nH]1 1P01EN96 [0,1,0,0,0,0|3,0,0]=4 684 B9R1.12 C(=C/C#N)\c1cnc[nH]1 1P01EMLM [0,1,0,0,0,0|0,0,3]=4 685 B9R1.12 C(c1c[nH]cn1)CC#N 1P01AGOB [0,1,0,0,0,0|0,0,3]=4 686 B9R1.12 C(n1cncn1)CC#C 1P00H5WP [0,1,0,0,0,0|2,0,1]=4 687 B9R1.12 C(n1cncn1)CC#C 1P02859E [0,1,0,0,0,0|2,0,1]=4 688 B9R1.12 C(n1cncn1)CC#N 1P008Q3M [0,1,0,0,0,0|1,0,2]=4 689 B9R1.12 CCCCc1ccco1 1P003HAJ [0,1,0,0,0,0|3,0,0]=4 690 B9R1.12 CCCCc1cccs1 1P001DL3 [0,1,0,0,0,0|3,0,0]=4 691 B9R1.12 CCCCc1cnco1 1P00556R [0,1,0,0,0,0|2,0,0]=3 692 B9R1.12 CCCCc1cscc1 1P003JMD [0,1,0,0,0,0|3,0,0]=4 693 B9R1.12 CCCCc1ncc[nH]1 1P00DCX4 [0,1,0,0,0,0|3,0,0]=4 694 B9R1.12 CCCCn1cncc1 1P003ENC [0,1,0,0,0,0|3,0,0]=4 695 B9R1.12 CCNCc1ccco1 1P001KUX [0,1,0,0,0,0|3,0,0]=4 696 B9R1.12 CCNCc1ccco1 1P019NKP [0,1,0,0,0,0|3,0,0]=4 697 B9R1.12 CCNCc1cccs1 1P003TG0 [0,1,0,0,0,0|3,0,0]=4 698 B9R1.12 CCNCc1cccs1 1P019LNO [0,1,0,0,0,0|3,0,0]=4 699 B9R1.12 CCNCc1cocc1 1P01A9Y0 [0,1,0,0,0,0|3,0,0]=4 700 B9R1.12 CCNCc1cscc1 1P027TQF [0,1,0,0,0,0|3,0,0]=4 701 B9R1.12 CCNCc1ncc[nH]1 1P021BUP [0,1,0,0,0,0|3,0,0]=4 702 B9R1.12 CCNCc1nnn[nH]1 1P01AAMX [0,1,0,0,0,0|3,0,0]=4 703 B9R1.12 CCOCc1ccco1 1P0037LZ [0,1,0,0,0,0|3,0,0]=4 704 B9R1.12 CCOCc1ncc[nH]1 1P0284KD [0,1,0,0,0,0|3,0,0]=4 705 B9R1.12 CNCCc1[nH]cnc1 1P001VOS [0,1,0,0,0,0|0,0,0]=1 706 B9R1.12 CNCCc1c[nH]nc1 1P005ZGX [0,1,0,0,0,0|2,0,0]=3 707 B9R1.12 CNCCc1c[nH]nc1 1P00J3TC [0,1,0,0,0,0|2,0,0]=3 708 B9R1.12 CNCCc1cc[nH]n1 1P028QZ7 [0,1,0,0,0,0|2,0,1]=4 709 B9R1.12 CNCCc1cccs1 1P0083BL [0,1,0,0,0,0|2,0,0]=3 710 B9R1.12 CNCCc1n[nH]nn1 1P01AK76 [0,1,0,0,0,0|2,0,1]=4 711 B9R1.12 CNCCc1nccs1 1P01A2UB [0,1,0,0,0,0|2,0,1]=4 712 B9R1.12 CNCCc1nocn1 1P00J31N [0,1,0,0,0,0|2,0,1]=4 713 B9R1.12 CNCCn1cccn1 1P01AHTQ [0,1,0,0,0,0|2,0,1]=4 714 B9R1.12 CNCCn1ccnn1 1P028PGX [0,1,0,0,0,0|3,0,0]=4 715 B9R1.12 CNCCn1cncc1 1P00J3M1 [0,1,0,0,0,0|2,0,0]=3 716 B9R1.12 CNCCn1cnnc1 1P01A00L [0,1,0,0,0,0|3,0,0]=4 717 B9R1.12 COCCc1c[nH]nc1 1P028WAN [0,1,0,0,0,0|3,0,0]=4 718 B9R1.12 COCCc1cccs1 1P0284DO [0,1,0,0,0,0|3,0,0]=4 719 B9R1.12 COCCc1nnn[nH]1 1P00J2MI [0,1,0,0,0,0|3,0,0]=4 720 B9R1.12 COCCn1cncc1 1P01A1VS [0,1,0,0,0,0|3,0,0]=4 721 B9R1.12 ClCC#Cc1cncs1 1P028SBV [0,1,0,0,0,0|2,0,1]=4 722 B9R1.12 ClCCCc1c[nH]nc1 1P00J7FX [0,1,0,0,0,0|3,0,0]=4 723 B9R1.12 ClCCCc1ncn[nH]1 1P0280P0 [0,1,0,0,0,0|2,0,1]=4 724 B9R1.12 ClCCCc1nnco1 1P01DVKW [0,1,0,0,0,0|3,0,0]=4 725 B9R1.12 ClCCCn1cncc1 1P00HWOD [0,1,0,0,0,0|3,0,0]=4 726 B9R1.12 ClCCCn1cncn1 1P01EM8J [0,1,0,0,0,0|2,0,1]=4 727 B9R1.12 FCCCc1nnn[nH]1 1P028M0I [0,1,0,0,0,0|3,0,0]=4 728 B9R1.12 ICCCc1cccs1 1P01FSKP [0,1,0,0,0,0|3,0,0]=4 729 B9R1.12 N#CCCc1c[nH]nc1 1P01FJY2 [0,1,0,0,0,0|2,0,1]=4 730 B9R1.12 N#CCCc1ccco1 1P019UDZ [0,1,0,0,0,0|2,0,1]=4 731 B9R1.12 N#CCCn1cncc1 1P006Y4F [0,1,0,0,0,0|2,0,1]=4 732 B9R1.12 NCCCc1c[nH]nc1 1P002LC8 [0,1,0,0,0,0|2,0,0]=3 733 B9R1.12 NCCCc1c[nH]nc1 1P01EIHT [0,1,0,0,0,0|2,0,0]=3 734 B9R1.12 NCCCc1cc[nH]n1 1P01B1PA [0,1,0,0,0,0|2,0,1]=4 735 B9R1.12 NCCCc1ccco1 1P00DD6T [0,1,0,0,0,0|2,0,0]=3 736 B9R1.12 NCCCc1cccs1 1P00ELTB [0,1,0,0,0,0|2,0,0]=3 737 B9R1.12 NCCCc1cocn1 1P01DWF0 [0,1,0,0,0,0|1,0,1]=3 738 B9R1.12 NCCCc1conc1 1P01FJWN [0,1,0,0,0,0|2,0,0]=3 739 B9R1.12 NCCCc1cscc1 1P01ABDM [0,1,0,0,0,0|2,0,0]=3 740 B9R1.12 NCCCc1csnn1 1P027VO9 [0,1,0,0,0,0|2,0,1]=4 741 B9R1.12 NCCCc1n[nH]cn1 1P01BI6Y [0,1,0,0,0,0|1,0,2]=4 742 B9R1.12 NCCCc1nc[nH]c1 1P00CMFZ [0,1,0,0,0,0|0,0,2]=3 743 B9R1.12 NCCCc1ncc[nH]1 1P00I72Q [0,1,0,0,0,0|2,0,0]=3 744 B9R1.12 NCCCc1ncco1 1P028613 [0,1,0,0,0,0|2,0,1]=4 745 B9R1.12 NCCCc1nccs1 1P00EELN [0,1,0,0,0,0|2,0,1]=4 746 B9R1.12 NCCCc1nccs1 1P00J3SR [0,1,0,0,0,0|2,0,1]=4 747 B9R1.12 NCCCc1ncno1 1P01A0EM [0,1,0,0,0,0|1,0,1]=3 748 B9R1.12 NCCCc1nn[nH]c1 1P028Q46 [0,1,0,0,0,0|1,0,2]=4 749 B9R1.12 NCCCc1nnco1 1P01DXQT [0,1,0,0,0,0|2,0,0]=3 750 B9R1.12 NCCCc1nnn[nH]1 1P00I5N9 [0,1,0,0,0,0|2,0,0]=3 751 B9R1.12 NCCCc1nnn[nH]1 1P019SFU [0,1,0,0,0,0|2,0,0]=3 752 B9R1.12 NCCCc1nnsc1 1P027W2J [0,1,0,0,0,0|2,0,1]=4 753 B9R1.12 NCCCc1scnn1 1P028ZCF [0,1,0,0,0,0|2,0,0]=3 754 B9R1.12 NCCCn1cccc1 1P00EEGJ [0,1,0,0,0,0|3,0,0]=4 755 B9R1.12 NCCCn1cccn1 1P005JEZ [0,1,0,0,0,0|2,0,1]=4 756 B9R1.12 NCCCn1cccn1 1P00J1KO [0,1,0,0,0,0|2,0,1]=4 757 B9R1.12 NCCCn1ccnn1 1P00DAPG [0,1,0,0,0,0|3,0,0]=4 758 B9R1.12 NCCCn1ccnn1 1P01A6WM [0,1,0,0,0,0|3,0,0]=4 759 B9R1.12 NCCCn1cncc1 1P0035R2 [0,1,0,0,0,0|2,0,0]=3 760 B9R1.12 NCCCn1cncn1 1P005U30 [0,1,0,0,0,0|1,0,1]=3 761 B9R1.12 NCCCn1cncn1 1P00GAT3 [0,1,0,0,0,0|1,0,1]=3 762 B9R1.12 NCCCn1cnnn1 1P01FJWY [0,1,0,0,0,0|2,0,1]=4 763 B9R1.12 NCCCn1ncnc1 1P00J1LE [0,1,0,0,0,0|1,0,1]=3 764 B9R1.12 NCCOc1cscc1 1P0280CL [0,1,0,0,0,0|2,0,0]=3 765 B9R1.12 NCCSc1cnn[nH]1 1P00J1EB [0,1,0,0,0,0|1,0,0]=2 766 B9R1.12 NCCSc1ncn[nH]1 1P00J1T9 [0,1,0,0,0,0|1,0,1]=3 767 B9R1.12 O=CCCc1ccco1 1P024Z0F [0,1,0,0,0,0|3,0,0]=4 768 B9R1.12 O=CCCc1cccs1 1P002TCP [0,1,0,0,0,0|3,0,0]=4 769 B9R1.12 O=CCCc1cscc1 1P01J8CC [0,1,0,0,0,0|3,0,0]=4 770 B9R1.12 OCCCc1c[nH]cn1 1P00B2L0 [0,1,0,0,0,0|1,0,2]=4 771 B9R1.12 OCCCc1c[nH]nc1 1P00EEM0 [0,1,0,0,0,0|3,0,0]=4 772 B9R1.12 OCCCc1ccco1 1P01A4WN [0,1,0,0,0,0|3,0,0]=4 773 B9R1.12 OCCCc1cccs1 1P003II9 [0,1,0,0,0,0|3,0,0]=4 774 B9R1.12 OCCCc1cnc[nH]1 1P00DXMX [0,1,0,0,0,0|1,0,0]=2 775 B9R1.12 OCCCc1cncs1 1P01C61L [0,1,0,0,0,0|2,0,0]=3 776 B9R1.12 OCCCc1cocc1 1P01BIE2 [0,1,0,0,0,0|3,0,0]=4 777 B9R1.12 OCCCc1conc1 1P007IZ1 [0,1,0,0,0,0|3,0,0]=4 778 B9R1.12 OCCCc1cscc1 1P003IJE [0,1,0,0,0,0|3,0,0]=4 779 B9R1.12 OCCCc1cscn1 1P0059GX [0,1,0,0,0,0|2,0,1]=4 780 B9R1.12 OCCCc1ncc[nH]1 1P028LAA [0,1,0,0,0,0|3,0,0]=4 781 B9R1.12 OCCCc1ncn[nH]1 1P0290L1 [0,1,0,0,0,0|2,0,1]=4 782 B9R1.12 OCCCn1cncc1 1P00DB3I [0,1,0,0,0,0|3,0,0]=4 783 B9R1.12 OCCCn1cncc1 1P00J1QA [0,1,0,0,0,0|3,0,0]=4 784 B9R1.12 OCCCn1cncn1 1P008ID7 [0,1,0,0,0,0|2,0,1]=4 785 B9R1.12 OCCSc1ncc[nH]1 1P01DVPL [0,1,0,0,0,0|3,0,0]=4 786 B9R1.12 SCCCc1c[nH]nc1 1P028M0C [0,1,0,0,0,0|3,0,0]=4 787 B9R1.12 SCCCc1cocc1 1P028TXM [0,1,0,0,0,0|3,0,0]=4 788 B9R1.12 SCCCn1cncc1 1P019UIF [0,1,0,0,0,0|3,0,0]=4 789 B9R1.12 [N-]=[N+]=NCc1cnco1 1P028AU9 [0,1,0,0,0,0|2,0,1]=4 790 B9R1.12 [N-]=[N+]=NCc1cnn[nH]1 1P028CGL [0,1,0,0,0,0|2,0,1]=4 791 B9R1.13 CC(Cc1c[nH]cc1)N 1P01DVNP [0,1,0,0,0,0|1,0,1]=3 792 B9R1.13 CC(Cc1c[nH]nc1)C 1P028VW1 [0,1,0,0,0,0|3,0,0]=4 793 B9R1.13 CC(Cc1c[nH]nc1)N 1P0281LL [0,1,0,0,0,0|2,0,0]=3 794 B9R1.13 CC(Cc1cc[nH]n1)N 1P01FJWX [0,1,0,0,0,0|2,0,1]=4 795 B9R1.13 CC(Cc1ccco1)N 1P00EAVK [0,1,0,0,0,0|2,0,0]=3 796 B9R1.13 CC(Cc1ccco1)O 1P003O8Y [0,1,0,0,0,0|3,0,0]=4 797 B9R1.13 CC(Cc1cccs1)C 1P00CB7B [0,1,0,0,0,0|3,0,0]=4 798 B9R1.13 CC(Cc1cccs1)N 1P01AAV0 [0,1,0,0,0,0|2,0,0]=3 799 B9R1.13 CC(Cc1ccno1)O 1P01C9P6 [0,1,0,0,0,0|3,0,0]=4 800 B9R1.13 CC(Cc1cocc1)N 1P019ZJ8 [0,1,0,0,0,0|2,0,0]=3 801 B9R1.13 CC(Cc1cscc1)N 1P00IEEW [0,1,0,0,0,0|2,0,0]=3 802 B9R1.13 CC(Cc1cscc1)N 1P019WY2 [0,1,0,0,0,0|2,0,0]=3 803 B9R1.13 CC(Cc1cscc1)O 1P01A4LR [0,1,0,0,0,0|3,0,0]=4 804 B9R1.13 CC(Cc1n[nH]cn1)N 1P027UH0 [0,1,0,0,0,0|1,0,2]=4 805 B9R1.13 CC(Cc1nc[nH]c1)N 1P00D351 [0,1,0,0,0,0|0,0,2]=3 806 B9R1.13 CC(Cc1ncc[nH]1)C 1P00EERW [0,1,0,0,0,0|3,0,0]=4 807 B9R1.13 CC(Cc1ncc[nH]1)O 1P01A054 [0,1,0,0,0,0|3,0,0]=4 808 B9R1.13 CC(Cc1ncc[nH]1)O 1P028WTT [0,1,0,0,0,0|3,0,0]=4 809 B9R1.13 CC(Cc1nnn[nH]1)N 1P028L1R [0,1,0,0,0,0|2,0,0]=3 810 B9R1.13 CC(Cn1cncc1)N 1P0065TX [0,1,0,0,0,0|2,0,0]=3 811 B9R1.13 CC(Cn1cncc1)N 1P0099YG [0,1,0,0,0,0|2,0,0]=3 812 B9R1.13 CC(Cn1cncc1)O 1P00CONW [0,1,0,0,0,0|3,0,0]=4 813 B9R1.13 CC(Cn1cncn1)N 1P0045QL [0,1,0,0,0,0|1,0,1]=3 814 B9R1.13 CC(Cn1cnnc1)N 1P028V4Y [0,1,0,0,0,0|3,0,0]=4 815 B9R1.13 CC(Cn1ncnc1)C 1P01A5CM [0,1,0,0,0,0|2,0,1]=4 816 B9R1.13 CC(Sc1[nH]cnc1)C 1P00A0KY [0,1,0,0,0,0|2,0,0]=3 817 B9R1.13 CN(Cc1ccc[nH]1)C 1P00AL1G [0,1,0,0,0,0|3,0,0]=4 818 B9R1.13 C[C@@H](Cc1cscc1)N 1P023NMT [0,1,0,0,0,0|2,0,0]=3 819 B9R1.13 C[C@@H](Cc1cscc1)O 1P001IXV [0,1,0,0,0,0|3,0,0]=4 820 B9R1.13 C[C@@H](Cc1nnn[nH]1)N 1P028ZJN [0,1,0,0,0,0|2,0,0]=3 821 B9R1.13 C[C@H](Cc1cscc1)N 1P01PIYF [0,1,0,0,0,0|2,0,0]=3 822 B9R1.13 C[C@H](Cc1cscc1)O 1P028WK6 [0,1,0,0,0,0|3,0,0]=4 823 B9R1.13 C[C@H](Cc1nc[nH]c1)N 1P005JYD [0,1,0,0,0,0|0,0,2]=3 824 B9R1.13 C[C@H](Cc1ncco1)N 1P0280J9 [0,1,0,0,0,0|2,0,1]=4 825 B9R1.13 C[C@H](Cc1nnn[nH]1)N 1P028Y2F [0,1,0,0,0,0|2,0,0]=3 826 B9R1.13 C[C@H](Cn1cncc1)O 1P0281PF [0,1,0,0,0,0|3,0,0]=4 827 B9R1.13 NC(=N)Cc1cccs1 1P00EH2I [0,1,0,0,0,0|2,0,1]=4 828 B9R1.13 NC(=N)Cc1cscc1 1P01AAMS [0,1,0,0,0,0|2,0,1]=4 829 B9R1.13 NC(=N)Cn1cncc1 1P01ELZU [0,1,0,0,0,0|2,0,1]=4 830 B9R1.13 NC(=N)Cn1cncc1 1P01FIRL [0,1,0,0,0,0|2,0,1]=4 831 B9R1.13 NC(=O)Cc1ccc[nH]1 1P00IG80 [0,1,0,0,0,0|1,0,1]=3 832 B9R1.13 NC(=O)Cc1cccs1 1P003V97 [0,1,0,0,0,0|2,0,1]=4 833 B9R1.13 NC(=O)Cc1cnc[nH]1 1P028C2D [0,1,0,0,0,0|0,0,1]=2 834 B9R1.13 NC(=O)Cc1cscc1 1P009XM0 [0,1,0,0,0,0|2,0,1]=4 835 B9R1.13 NC(=O)Cc1nnn[nH]1 1P00J9DC [0,1,0,0,0,0|2,0,1]=4 836 B9R1.13 NC(=S)Cn1cncc1 1P01B73V [0,1,0,0,0,0|2,0,1]=4 837 B9R1.13 OC(=O)Cc1ccc[nH]1 1P003UJS [0,1,0,0,0,0|2,0,1]=4 838 B9R1.13 OC(=O)Cc1cnc[nH]1 1P00BYPQ [0,1,0,0,0,0|1,0,1]=3 839 B9R1.13 OC(=O)Cc1cnco1 1P01DFCI [0,1,0,0,0,0|2,0,1]=4 840 B9R1.13 OC(=O)Cc1cncs1 1P00DGD7 [0,1,0,0,0,0|2,0,1]=4 841 B9R1.13 [O-]C(=O)Cc1cnco1 1P028Q41 [0,1,0,0,0,0|2,0,1]=4 842 B9R1.33 BrCCc1cnnn1C 1P028YAD [0,1,0,0,0,0|2,0,0]=3 843 B9R1.33 BrCCc1nccn1C 1P01BAET [0,1,0,0,0,0|3,0,0]=4 844 B9R1.33 CC1=NCCN1CCN 1P00ENV7 [0,1,0,0,0,0|2,0,1]=4 845 B9R1.33 CCCc1c(Br)cn[nH]1 1P01DR1Z [0,1,0,0,0,0|3,0,0]=4 846 B9R1.33 CCCc1conc1N 1P01DVYA [0,1,0,0,0,0|3,0,0]=4 847 B9R1.33 CCCc1nonc1N 1P019VKQ [0,1,0,0,0,0|2,0,1]=4 848 B9R1.33 CCCn1ccnc1Br 1P028IJ0 [0,1,0,0,0,0|3,0,0]=4 849 B9R1.33 CCCn1ccnc1S 1P0085HL [0,1,0,0,0,0|3,0,0]=4 850 B9R1.33 CCCn1ncnc1Br 1P00J367 [0,1,0,0,0,0|2,0,1]=4 851 B9R1.33 CCOc1ocnc1C 1P006WTJ [0,1,0,0,0,0|3,0,0]=4 852 B9R1.33 CNCc1cccn1C 1P002S01 [0,1,0,0,0,0|3,0,0]=4 853 B9R1.33 CNCc1cncn1C 1P00C0XV [0,1,0,0,0,0|2,0,0]=3 854 B9R1.33 CNCc1cnnn1C 1P028XG7 [0,1,0,0,0,0|3,0,0]=4 855 B9R1.33 CNCc1nncn1C 1P00J1Z5 [0,1,0,0,0,0|3,0,0]=4 856 B9R1.33 CNCc1nncn1C 1P00J3NB [0,1,0,0,0,0|3,0,0]=4 857 B9R1.33 CNCc1ocnc1C 1P028NKW [0,1,0,0,0,0|3,0,0]=4 858 B9R1.33 CNCc1scnc1C 1P00GSXT [0,1,0,0,0,0|3,0,0]=4 859 B9R1.33 COCc1cnnn1C 1P01FL2Z [0,1,0,0,0,0|3,0,0]=4 860 B9R1.33 Cc1c(CCN)nc[nH]1 1P00C0SN [0,1,0,0,0,0|0,0,2]=3 861 B9R1.33 Cc1c(CCN)nc[nH]1 1P01ALDP [0,1,0,0,0,0|0,0,2]=3 862 B9R1.33 Cc1nccn1CCBr 1P00G50M [0,1,0,0,0,0|3,0,0]=4 863 B9R1.33 Cc1nccn1CCBr 1P00J2NI [0,1,0,0,0,0|3,0,0]=4 864 B9R1.33 Cc1nccn1CCN 1P0009Z2 [0,1,0,0,0,0|2,0,0]=3 865 B9R1.33 Cc1nccn1CCO 1P003F90 [0,1,0,0,0,0|3,0,0]=4 866 B9R1.33 Cc1ncsc1CC#N 1P01AUTZ [0,1,0,0,0,0|1,0,2]=4 867 B9R1.33 Cc1ncsc1CCBr 1P00FGP2 [0,1,0,0,0,0|2,0,0]=3 868 B9R1.33 Cc1ncsc1CCCl 1P00DEHU [0,1,0,0,0,0|2,0,0]=3 869 B9R1.33 Cc1ncsc1CCCl 1P00EGCT [0,1,0,0,0,0|2,0,0]=3 870 B9R1.33 Cc1ncsc1CCN 1P00EDQY [0,1,0,0,0,0|1,0,0]=2 871 B9R1.33 Cc1ncsc1CCO 1P00135B [0,1,0,0,0,0|2,0,0]=3 872 B9R1.33 Cc1ocnc1CCN 1P028UTL [0,1,0,0,0,0|1,0,1]=3 873 B9R1.33 Cc1oncc1CCN 1P01EIJ8 [0,1,0,0,0,0|2,0,0]=3 874 B9R1.33 Cc1scnc1CCO 1P0076Q3 [0,1,0,0,0,0|2,0,1]=4 875 B9R1.33 ClCCc1nccn1C 1P00J2XE [0,1,0,0,0,0|3,0,0]=4 876 B9R1.33 ClCCc1nnnn1C 1P01BTXR [0,1,0,0,0,0|3,0,0]=4 877 B9R1.33 Cn1cncc1C=NO 1P0288FU [0,1,0,0,0,0|2,0,1]=4 878 B9R1.33 Cn1cncc1CC#N 1P00J2V2 [0,1,0,0,0,0|0,0,2]=3 879 B9R1.33 Cn1cncc1CCBr 1P01AGAD [0,1,0,0,0,0|1,0,0]=2 880 B9R1.33 Cn1cncc1CCCl 1P01C5M8 [0,1,0,0,0,0|1,0,0]=2 881 B9R1.33 Cn1cncc1CCO 1P01AD1I [0,1,0,0,0,0|1,0,0]=2 882 B9R1.33 Cn1cnnc1CCBr 1P01EMC8 [0,1,0,0,0,0|2,0,0]=3 883 B9R1.33 Cn1cnnc1CCO 1P01ACO8 [0,1,0,0,0,0|2,0,0]=3 884 B9R1.33 Cn1nccc1CCBr 1P01BAGZ [0,1,0,0,0,0|3,0,0]=4 885 B9R1.33 Cn1nccc1CCCl 1P01BD64 [0,1,0,0,0,0|3,0,0]=4 886 B9R1.33 Cn1nccc1CCN 1P00J35M [0,1,0,0,0,0|2,0,0]=3 887 B9R1.33 Cn1nccc1CCO 1P01A00I [0,1,0,0,0,0|3,0,0]=4 888 B9R1.33 Cn1ncnc1CCN 1P019ZLQ [0,1,0,0,0,0|1,0,1]=3 889 B9R1.33 Cn1ncnc1CCO 1P01BB4U [0,1,0,0,0,0|2,0,1]=4 890 B9R1.33 N#CCc1cccn1C 1P00C3Z0 [0,1,0,0,0,0|1,0,2]=4 891 B9R1.33 NCCc1c[nH]nc1C 1P0285Z1 [0,1,0,0,0,0|2,0,0]=3 892 B9R1.33 NCCc1c[nH]nc1O 1P028WYD [0,1,0,0,0,0|2,0,0]=3 893 B9R1.33 NCCc1ccsc1Cl 1P028T4A [0,1,0,0,0,0|2,0,0]=3 894 B9R1.33 NCCc1cncn1C 1P00C64F [0,1,0,0,0,0|0,0,0]=1 895 B9R1.33 NCCc1cnnn1C 1P01XBZW [0,1,0,0,0,0|1,0,0]=2 896 B9R1.33 NCCc1conc1Br 1P028I4F [0,1,0,0,0,0|2,0,0]=3 897 B9R1.33 NCCc1n[nH]nc1C 1P028Z4S [0,1,0,0,0,0|1,0,1]=3 898 B9R1.33 NCCc1nc[nH]c1Br 1P01FJ5T [0,1,0,0,0,0|0,0,2]=3 899 B9R1.33 NCCc1nccn1C 1P00J2CY [0,1,0,0,0,0|2,0,0]=3 900 B9R1.33 NCCc1ncnn1C 1P00J22C [0,1,0,0,0,0|1,0,1]=3 901 B9R1.33 NCCc1nncn1C 1P00J1Z4 [0,1,0,0,0,0|1,0,0]=2 902 B9R1.33 NCCc1nnnn1C 1P01A4P5 [0,1,0,0,0,0|2,0,0]=3 903 B9R1.33 NCCc1sccc1Br 1P01BU9B [0,1,0,0,0,0|2,0,0]=3 904 B9R1.33 NCCc1sccc1C 1P01A4W7 [0,1,0,0,0,0|2,0,0]=3 905 B9R1.33 NCCc1sccc1Cl 1P027WT4 [0,1,0,0,0,0|2,0,0]=3 906 B9R1.33 NCCc1sccc1F 1P0291IN [0,1,0,0,0,0|2,0,0]=3 907 B9R1.33 NCCc1scnc1C 1P009A8D [0,1,0,0,0,0|1,0,0]=2 908 B9R1.33 NCCc1scnc1C 1P00J3UB [0,1,0,0,0,0|1,0,0]=2 909 B9R1.33 NCCc1scnc1C 1P019FER [0,1,0,0,0,0|1,0,0]=2 910 B9R1.33 NCCn1cc[nH]c1=O 1P01A3R8 [0,1,0,0,0,0|2,0,1]=4 911 B9R1.33 NCCn1ccnc1C 1P00GARW [0,1,0,0,0,0|2,0,0]=3 912 B9R1.33 NCCn1ccsc1=O 1P01B2YX [0,1,0,0,0,0|3,0,0]=4 913 B9R1.33 NCCn1ccsc1=O 1P01C5TY [0,1,0,0,0,0|3,0,0]=4 914 B9R1.33 NCCn1cn[nH]c1=O 1P01FJVW [0,1,0,0,0,0|3,0,0]=4 915 B9R1.33 NCCn1cnnc1C 1P01AK5Z [0,1,0,0,0,0|3,0,0]=4 916 B9R1.33 NCCn1nccc1Br 1P0292ZZ [0,1,0,0,0,0|2,0,1]=4 917 B9R1.33 NCCn1nccc1C 1P01DTPG [0,1,0,0,0,0|2,0,1]=4 918 B9R1.33 NCCn1nncc1C 1P028R9H [0,1,0,0,0,0|3,0,0]=4 919 B9R1.33 NCCn1nnnc1C 1P01AISF [0,1,0,0,0,0|2,0,1]=4 920 B9R1.33 NCCn1nnnc1C 1P028T05 [0,1,0,0,0,0|2,0,1]=4 921 B9R1.33 NNCc1nccn1C 1P00HVVQ [0,1,0,0,0,0|3,0,0]=4 922 B9R1.33 OCCc1c(Br)cn[nH]1 1P028RD6 [0,1,0,0,0,0|3,0,0]=4 923 B9R1.33 OCCc1cccn1C 1P00ELFX [0,1,0,0,0,0|2,0,0]=3 924 B9R1.33 OCCc1ccsc1Cl 1P0290SL [0,1,0,0,0,0|3,0,0]=4 925 B9R1.33 OCCc1cnnn1C 1P01BIET [0,1,0,0,0,0|2,0,0]=3 926 B9R1.33 OCCc1nccn1C 1P00B76R [0,1,0,0,0,0|3,0,0]=4 927 B9R1.33 OCCc1sccc1Br 1P009JN1 [0,1,0,0,0,0|3,0,0]=4 928 B9R1.33 OCCc1sccc1C 1P01DW6N [0,1,0,0,0,0|3,0,0]=4 929 B9R1.33 OCCc1sncc1Br 1P028UYU [0,1,0,0,0,0|3,0,0]=4 930 B9R1.33 OCCn1[nH]nnc1=S 1P00IKYJ [0,1,0,0,0,0|3,0,0]=4 931 B9R1.33 OCCn1ccnc1Cl 1P00VVZQ [0,1,0,0,0,0|3,0,0]=4 932 B7R0.1 CCCC=CCCN 1P028EP1 [0,0,1,0,0,0|2,0,1]=4 933 B9R2.2 C1CC1c2[nH]cnc2 1P00IGAT [0,0,0,1,0,0|1,0,0]=2 934 B9R2.2 C1CC1c2ccn[nH]2 1P003N6C [0,0,0,1,0,0|3,0,0]=4 935 B9R2.2 C1CC1c2ncoc2 1P01B5RR [0,0,0,1,0,0|2,0,1]=4 936 B9R2.2 C1CC1c2ncsc2 1P003LQO [0,0,0,1,0,0|2,0,1]=4 937 B9R2.2 C1CC1c2ocnc2 1P01B6Z7 [0,0,0,1,0,0|2,0,0]=3 938 B9R2.2 C1CC1c2ocnn2 1P028AEH [0,0,0,1,0,0|3,0,0]=4 939 B9R2.2 C1CC1c2scnc2 1P027TX6 [0,0,0,1,0,0|2,0,0]=3 940 B9R2.2 C1CC1n2ncnc2 1P0283RG [0,0,0,1,0,0|2,0,1]=4 941 B9R2.2 c1cnc([nH]1)C2CC2 1P0033QT [0,0,0,1,0,0|3,0,0]=4 942 B9R2.2 c1coc(c1)C2CC2 1P01C3DJ [0,0,0,1,0,0|3,0,0]=4 943 B9R2.2 c1csc(c1)C2CC2 1P002YYV [0,0,0,1,0,0|3,0,0]=4 944 B9R2.2 c1ncn(c1)C2CC2 1P009X4A [0,0,0,1,0,0|3,0,0]=4 945 B9R2.2 c1occ(c1)C2CC2 1P01DW54 [0,0,0,1,0,0|3,0,0]=4 946 B9R2.2 c1scc(c1)C2CC2 1P01DWRY [0,0,0,1,0,0|3,0,0]=4 947 B9R2.2 c1scc(c1)C2CO2 1P005LY2 [0,0,0,1,0,0|3,0,0]=4 948 B9R2.2 n1[nH]cc(c1)C2CC2 1P01BHZB [0,0,0,1,0,0|3,0,0]=4 949 B9R2.3 C1CN2C(=NCC2)N1 1P00998V [0,0,0,1,0,0|2,0,1]=4 950 B9R2.3 C1CNc2n1ccn2 1P0064J6 [0,0,0,1,0,0|2,0,0]=3 951 B9R2.3 C1CNc2n1ncc2 1P006L8O [0,0,0,1,0,0|2,0,1]=4 952 B9R2.3 C1Cc2c(C1)c[nH]c2 1P028OGU [0,0,0,1,0,0|2,0,1]=4 953 B9R2.3 C1Cc2c(C1)cn[nH]2 1P003E29 [0,0,0,1,0,0|3,0,0]=4 954 B9R2.3 C1Cc2c(C1)cn[nH]2 1P00J2JE [0,0,0,1,0,0|3,0,0]=4 955 B9R2.3 C1Cc2c(C1)nc[nH]2 1P00HAT4 [0,0,0,1,0,0|1,0,0]=2 956 B9R2.3 C1Cc2c(C1)ncs2 1P00EGBX [0,0,0,1,0,0|2,0,0]=3 957 B9R2.3 C1Cn2c(C1)ccn2 1P0084OX [0,0,0,1,0,0|3,0,0]=4 958 B9R2.3 C1Cn2c(C1)cnc2 1P01B7L6 [0,0,0,1,0,0|1,0,0]=2 959 B9R2.3 C1Cn2c(C1)ncc2 1P00ED6Y [0,0,0,1,0,0|3,0,0]=4 960 B9R2.3 C1Cn2c(C1)ncn2 1P00I3W5 [0,0,0,1,0,0|2,0,1]=4 961 B9R2.3 C1Cn2c(C1)nnc2 1P00J2VG [0,0,0,1,0,0|2,0,0]=3 962 B9R2.3 N1Cc2c(C1)nc[nH]2 1P023PKI [0,0,0,1,0,0|2,0,0]=3 963 B9R2.3 N1Cc2c(C1)ncs2 1P00HXCR [0,0,0,1,0,0|3,0,0]=4 964 B9R2.3 N1Cc2c(C1)ncs2 1P01XA1V [0,0,0,1,0,0|3,0,0]=4 965 B9R2.3 c1cn2c(s1)cnc2 1P002QY3 [0,0,0,1,0,0|2,0,1]=4 966 B9R1.8 BrCCc1ccccc1 1P003EKU [0,0,0,0,0,1|3,0,0]=4 967 B9R1.8 BrCCc1ccccn1 1P0033B6 [0,0,0,0,0,1|2,0,1]=4 968 B9R1.8 BrCCc1cccnc1 1P00CJF9 [0,0,0,0,0,1|2,0,0]=3 969 B9R1.8 BrCCc1ccncc1 1P01BGQT [0,0,0,0,0,1|2,0,0]=3 970 B9R1.8 BrCCc1cnccn1 1P01DYXQ [0,0,0,0,0,1|1,0,1]=3 971 B9R1.8 C(c1cnccn1)C#N 1P00DJ1W [0,0,0,0,0,1|0,0,3]=4 972 B9R1.8 C=CCc1cccnc1 1P005DFA [0,0,0,0,0,1|2,0,1]=4 973 B9R1.8 C=CCc1cncnc1 1P01DW3N [0,0,0,0,0,1|1,0,2]=4 974 B9R1.8 CCCc1ccccc1 1P003UGP [0,0,0,0,0,1|3,0,0]=4 975 B9R1.8 CCCc1ccccn1 1P003IDJ [0,0,0,0,0,1|2,0,1]=4 976 B9R1.8 CCCc1cccnc1 1P00DG48 [0,0,0,0,0,1|2,0,0]=3 977 B9R1.8 CCCc1cccnn1 1P01ANOM [0,0,0,0,0,1|2,0,1]=4 978 B9R1.8 CCCc1ccncc1 1P003MH0 [0,0,0,0,0,1|2,0,0]=3 979 B9R1.8 CCCc1cnccn1 1P003BQC [0,0,0,0,0,1|1,0,1]=3 980 B9R1.8 CCN=c1cccn[nH]1 1P00FI4Q [0,0,0,0,0,1|3,0,0]=4 981 B9R1.8 CCNc1cccnc1 1P00CN8W [0,0,0,0,0,1|3,0,0]=4 982 B9R1.8 CCNc1ccncc1 1P00I7EH [0,0,0,0,0,1|3,0,0]=4 983 B9R1.8 CCNc1ccnnc1 1P01BTY6 [0,0,0,0,0,1|3,0,0]=4 984 B9R1.8 CCNc1cnccn1 1P00F7WN [0,0,0,0,0,1|2,0,1]=4 985 B9R1.8 CCNc1cncnc1 1P01DWEC [0,0,0,0,0,1|2,0,1]=4 986 B9R1.8 CCOc1cccnc1 1P00ANFG [0,0,0,0,0,1|3,0,0]=4 987 B9R1.8 CCOc1ccncc1 1P00C0Z1 [0,0,0,0,0,1|3,0,0]=4 988 B9R1.8 CNCc1cccnc1 1P003IN0 [0,0,0,0,0,1|3,0,0]=4 989 B9R1.8 CNCc1cccnc1 1P00JLQD [0,0,0,0,0,1|3,0,0]=4 990 B9R1.8 CNCc1ccncc1 1P003TOO [0,0,0,0,0,1|3,0,0]=4 991 B9R1.8 CNCc1ccncc1 1P009DU1 [0,0,0,0,0,1|3,0,0]=4 992 B9R1.8 CNCc1ccncn1 1P00J3UF [0,0,0,0,0,1|2,0,1]=4 993 B9R1.8 CNCc1cnccn1 1P0081AR [0,0,0,0,0,1|2,0,1]=4 994 B9R1.8 CNCc1cncnc1 1P00E7RF [0,0,0,0,0,1|2,0,1]=4 995 B9R1.8 CNCc1cncnc1 1P01C5YL [0,0,0,0,0,1|2,0,1]=4 996 B9R1.8 COCc1ccncc1 1P00FGIA [0,0,0,0,0,1|3,0,0]=4 997 B9R1.8 CSCc1cccnc1 1P01DX2J [0,0,0,0,0,1|3,0,0]=4 998 B9R1.8 ClCCc1ccccc1 1P0032NZ [0,0,0,0,0,1|3,0,0]=4 999 B9R1.8 ClCCc1ccccn1 1P00AQES [0,0,0,0,0,1|2,0,1]=4 1000 B9R1.8 ClCCc1ccccn1 1P00CB7K [0,0,0,0,0,1|2,0,1]=4 1001 B9R1.8 ClCCc1cccnc1 1P00CLVG [0,0,0,0,0,1|2,0,0]=3 1002 B9R1.8 ClCCc1ccncc1 1P00G7HW [0,0,0,0,0,1|2,0,0]=3 1003 B9R1.8 ICCc1ccccc1 1P001ZMC [0,0,0,0,0,1|3,0,0]=4 1004 B9R1.8 ICCc1cccnc1 1P01APKH [0,0,0,0,0,1|2,0,0]=3 1005 B9R1.8 N#CCc1cccnc1 1P003FL3 [0,0,0,0,0,1|1,0,2]=4 1006 B9R1.8 N#CCc1ccncc1 1P000W7U [0,0,0,0,0,1|1,0,2]=4 1007 B9R1.8 N#CCc1ccncc1 1P003MHC [0,0,0,0,0,1|1,0,2]=4 1008 B9R1.8 N#CCc1ccncn1 1P00G7GU [0,0,0,0,0,1|0,0,3]=4 1009 B9R1.8 N#CCc1ccnnc1 1P000BGU [0,0,0,0,0,1|1,0,2]=4 1010 B9R1.8 N#CCc1cncnc1 1P000170 [0,0,0,0,0,1|0,0,3]=4 1011 B9R1.8 NCCC1=CCCCC1 1P0032P8 [0,0,0,0,0,1|2,0,1]=4 1012 B9R1.8 NCCC1=CCOCC1 1P01A2WW [0,0,0,0,0,1|2,0,1]=4 1013 B9R1.8 NCCc1ccccc1 1P001OVX [0,0,0,0,0,1|2,0,0]=3 1014 B9R1.8 NCCc1ccccc1 1P00AL3F [0,0,0,0,0,1|2,0,0]=3 1015 B9R1.8 NCCc1ccccn1 1P0033BC [0,0,0,0,0,1|1,0,1]=3 1016 B9R1.8 NCCc1cccnc1 1P0031LS [0,0,0,0,0,1|1,0,0]=2 1017 B9R1.8 NCCc1cccnc1 1P007RI3 [0,0,0,0,0,1|1,0,0]=2 1018 B9R1.8 NCCc1cccnc1 1P00G4HF [0,0,0,0,0,1|1,0,0]=2 1019 B9R1.8 NCCc1ccncc1 1P0011CE [0,0,0,0,0,1|1,0,0]=2 1020 B9R1.8 NCCc1ccncc1 1P00EB7D [0,0,0,0,0,1|1,0,0]=2 1021 B9R1.8 NCCc1ccncn1 1P00G8NQ [0,0,0,0,0,1|0,0,1]=2 1022 B9R1.8 NCCc1ccnnc1 1P01FJWH [0,0,0,0,0,1|1,0,0]=2 1023 B9R1.8 NCCc1cnccn1 1P00D8UG [0,0,0,0,0,1|0,0,1]=2 1024 B9R1.8 NCCc1cnccn1 1P00HZ0H [0,0,0,0,0,1|0,0,1]=2 1025 B9R1.8 NCCc1cncnc1 1P00G7HI [0,0,0,0,0,1|0,0,1]=2 1026 B9R1.8 NCCc1cncnc1 1P01B7EM [0,0,0,0,0,1|0,0,1]=2 1027 B9R1.8 NCCc1ncccn1 1P00IKQC [0,0,0,0,0,1|1,0,1]=3 1028 B9R1.8 NNCc1ccccc1 1P002AS6 [0,0,0,0,0,1|3,0,0]=4 1029 B9R1.8 NNCc1ccccc1 1P003OLM [0,0,0,0,0,1|3,0,0]=4 1030 B9R1.8 NNCc1ccccc1 1P00VUSV [0,0,0,0,0,1|3,0,0]=4 1031 B9R1.8 NNCc1ccccn1 1P00BJY5 [0,0,0,0,0,1|2,0,1]=4 1032 B9R1.8 NNCc1ccccn1 1P00IG9V [0,0,0,0,0,1|2,0,1]=4 1033 B9R1.8 NNCc1cccnc1 1P0033XM [0,0,0,0,0,1|2,0,0]=3 1034 B9R1.8 NNCc1cccnc1 1P00EM3P [0,0,0,0,0,1|2,0,0]=3 1035 B9R1.8 NNCc1cccnc1 1P00FT0X [0,0,0,0,0,1|2,0,0]=3 1036 B9R1.8 NNCc1ccncc1 1P00GVVL [0,0,0,0,0,1|2,0,0]=3 1037 B9R1.8 NNCc1cnccn1 1P0080ZM [0,0,0,0,0,1|1,0,1]=3 1038 B9R1.8 NNCc1cnccn1 1P00H0K1 [0,0,0,0,0,1|1,0,1]=3 1039 B9R1.8 NNCc1cncnc1 1P00HX2E [0,0,0,0,0,1|1,0,1]=3 1040 B9R1.8 NOCc1ccccc1 1P0035W0 [0,0,0,0,0,1|3,0,0]=4 1041 B9R1.8 NOCc1ccccc1 1P003TWF [0,0,0,0,0,1|3,0,0]=4 1042 B9R1.8 NOCc1ccccn1 1P01C2PM [0,0,0,0,0,1|2,0,1]=4 1043 B9R1.8 NOCc1cccnc1 1P00I7X0 [0,0,0,0,0,1|2,0,0]=3 1044 B9R1.8 OCCc1ccccc1 1P0033W3 [0,0,0,0,0,1|3,0,0]=4 1045 B9R1.8 OCCc1ccccn1 1P0038HY [0,0,0,0,0,1|2,0,1]=4 1046 B9R1.8 OCCc1cccnc1 1P003FB1 [0,0,0,0,0,1|2,0,0]=3 1047 B9R1.8 OCCc1ccncc1 1P003FL5 [0,0,0,0,0,1|2,0,0]=3 1048 B9R1.8 OCCc1ccncc1 1P00CHZZ [0,0,0,0,0,1|2,0,0]=3 1049 B9R1.8 OCCc1ccncn1 1P005N7W [0,0,0,0,0,1|1,0,1]=3 1050 B9R1.8 OCCc1cnccn1 1P003F8L [0,0,0,0,0,1|1,0,1]=3 1051 B9R1.8 OCCc1cncnc1 1P008CL3 [0,0,0,0,0,1|1,0,1]=3 1052 B9R1.8 OCCc1ncccn1 1P000AX7 [0,0,0,0,0,1|2,0,1]=4 1053 B9R1.8 SCCc1ccccc1 1P00DCX2 [0,0,0,0,0,1|3,0,0]=4 1054 B9R1.8 SCCc1ccccn1 1P0029Y7 [0,0,0,0,0,1|2,0,1]=4 1055 B9R1.8 SCCc1ccncc1 1P003MH7 [0,0,0,0,0,1|2,0,0]=3 1056 B9R1.8 SCCc1cnccn1 1P003C4B [0,0,0,0,0,1|1,0,1]=3 1057 B9R1.8 [C-]#[N+]Cc1cccnc1 1P00EAA0 [0,0,0,0,0,1|3,0,0]=4 1058 B9R1.8 [C-]#[N+]Cc1ccncc1 1P00EBP6 [0,0,0,0,0,1|3,0,0]=4 1059 B6R0.6 CC=C=CCCN 1P028E11 [1,0,1,0,0,0|1,0,1]=4 1060 B6R0.6 CCCC=CC=O 1P003VD0 [1,0,1,0,0,0|2,0,0]=4 1061 B6R0.6 CCC\C=C\CN 1P01DWZW [1,0,1,0,0,0|1,0,1]=4 1062 B6R0.6 CC\C=C/CC=O 1P003PF5 [1,0,1,0,0,0|2,0,0]=4 1063 B6R0.6 C\C=C\C=C\CN 1P01DWZV [1,0,1,0,0,0|1,0,1]=4 1064 B6R0.6 C\C=C\CCCN 1P023ZOR [1,0,1,0,0,0|1,0,1]=4 1065 B6R0.6 NCCCCC=C 1P007HPO [1,0,1,0,0,0|1,0,1]=4 1066 B6R0.6 NCCCOC=C 1P00FHY2 [1,0,1,0,0,0|1,0,1]=4 1067 B6R0.6 NCCOCC=C 1P01A5ZW [1,0,1,0,0,0|2,0,0]=4 1068 B6R0.6 NCCOCC=C 1P01B763 [1,0,1,0,0,0|2,0,0]=4 1069 B6R0.6 NCCSCC=C 1P01A68W [1,0,1,0,0,0|2,0,0]=4 1070 B6R0.6 NCCSCC=C 1P01A836 [1,0,1,0,0,0|2,0,0]=4 1071 B6R0.6 OCC\C=C\C=C 1P005YFP [1,0,1,0,0,0|2,0,0]=4 1072 B6R0.1 CC(C=C)CCN 1P028CGJ [1,0,1,0,0,0|1,0,1]=4 1073 B6R0.1 CCCC(=N)NO 1P002UQT [1,0,1,0,0,0|2,0,0]=4 1074 B6R0.1 CCCC(=O)C=C 1P001TZV [1,0,1,0,0,0|2,0,0]=4 1075 B6R0.1 CCC\C(=N\O)\N 1P00J2F4 [1,0,1,0,0,0|2,0,0]=4 1076 B6R0.1 CNC(=O)CCN 1P00DNDQ [1,0,1,0,0,0|1,0,1]=4 1077 B6R0.1 NCCC(=C)CO 1P01BKU7 [1,0,1,0,0,0|1,0,1]=4 1078 B6R0.1 NCCC(=C)CO 1P028SA0 [1,0,1,0,0,0|1,0,1]=4 1079 B6R0.1 NCCC(=O)NN 1P028BFD [1,0,1,0,0,0|1,0,1]=4 1080 B6R0.1 NCCC(=O)NO 1P01BE4B [1,0,1,0,0,0|2,0,0]=4 1081 B6R0.1 OCC\C(=N\O)\N 1P00DF0X [1,0,1,0,0,0|2,0,0]=4 1082 B6R1.2 Brc1cnc[nH]1 1P002MDC [2,0,0,0,0,0|1,0,0]=3 1083 B6R1.2 Brc1cnco1 1P0094A7 [2,0,0,0,0,0|2,0,0]=4 1084 B6R1.2 Brc1cnco1 1P01B653 [2,0,0,0,0,0|2,0,0]=4 1085 B6R1.2 Brc1cncs1 1P00309V [2,0,0,0,0,0|2,0,0]=4 1086 B6R1.2 Brc1cnn[nH]1 1P003ATS [2,0,0,0,0,0|2,0,0]=4 1087 B6R1.2 Brc1nnc[nH]1 1P01EARC [2,0,0,0,0,0|2,0,0]=4 1088 B6R1.2 Cc1c[nH]cc1 1P00347O [2,0,0,0,0,0|1,0,1]=4 1089 B6R1.2 Cc1c[nH]cn1 1P0034KA [2,0,0,0,0,0|0,0,2]=4 1090 B6R1.2 Cc1c[nH]nc1 1P0034KB [2,0,0,0,0,0|2,0,0]=4 1091 B6R1.2 Cc1ccc[nH]1 1P0036CQ [2,0,0,0,0,0|1,0,0]=3 1092 B6R1.2 Cc1ccco1 1P003I5W [2,0,0,0,0,0|2,0,0]=4 1093 B6R1.2 Cc1ccn[nH]1 1P00GV5F [2,0,0,0,0,0|2,0,0]=4 1094 B6R1.2 Cc1ccn[nH]1 1P00HFKT [2,0,0,0,0,0|2,0,0]=4 1095 B6R1.2 Cc1ccno1 1P0034RJ [2,0,0,0,0,0|2,0,0]=4 1096 B6R1.2 Cc1ccns1 1P00FD3O [2,0,0,0,0,0|2,0,0]=4 1097 B6R1.2 Cc1cn[nH]n1 1P002GA1 [2,0,0,0,0,0|1,0,1]=4 1098 B6R1.2 Cc1cnc[nH]1 1P002MX4 [2,0,0,0,0,0|0,0,0]=2 1099 B6R1.2 Cc1cnco1 1P0037GR [2,0,0,0,0,0|1,0,0]=3 1100 B6R1.2 Cc1cncs1 1P003ND8 [2,0,0,0,0,0|1,0,0]=3 1101 B6R1.2 Cc1cnn[nH]1 1P002VA9 [2,0,0,0,0,0|1,0,0]=3 1102 B6R1.2 Cc1cnon1 1P002SJZ [2,0,0,0,0,0|1,0,1]=4 1103 B6R1.2 Cc1cocc1 1P003K7Y [2,0,0,0,0,0|2,0,0]=4 1104 B6R1.2 Cc1cocn1 1P00376B [2,0,0,0,0,0|1,0,1]=4 1105 B6R1.2 Cc1conc1 1P00EDTH [2,0,0,0,0,0|2,0,0]=4 1106 B6R1.2 Cc1cscc1 1P0037J4 [2,0,0,0,0,0|2,0,0]=4 1107 B6R1.2 Cc1cscn1 1P0034KU [2,0,0,0,0,0|1,0,1]=4 1108 B6R1.2 Cc1csnc1 1P00FFVP [2,0,0,0,0,0|2,0,0]=4 1109 B6R1.2 Cc1ncc[nH]1 1P0033UW [2,0,0,0,0,0|2,0,0]=4 1110 B6R1.2 Cc1ncc[nH]1 1P01FPHT [2,0,0,0,0,0|2,0,0]=4 1111 B6R1.2 Cc1nnco1 1P0033UG [2,0,0,0,0,0|2,0,0]=4 1112 B6R1.2 Cc1nnn[nH]1 1P00IKYB [2,0,0,0,0,0|2,0,0]=4 1113 B6R1.2 Clc1cnc[nH]1 1P001RQY [2,0,0,0,0,0|1,0,0]=3 1114 B6R1.2 Clc1cncs1 1P01B60F [2,0,0,0,0,0|2,0,0]=4 1115 B6R1.2 Cn1cncc1 1P001NMJ [2,0,0,0,0,0|2,0,0]=4 1116 B6R1.2 Cn1cncc1 1P007BCU [2,0,0,0,0,0|2,0,0]=4 1117 B6R1.2 Cn1cncn1 1P003EXL [2,0,0,0,0,0|1,0,1]=4 1118 B6R1.2 Fc1cnc[nH]1 1P007K08 [2,0,0,0,0,0|1,0,0]=3 1119 B6R1.2 Ic1cnco1 1P027WF8 [2,0,0,0,0,0|2,0,0]=4 1120 B6R1.2 Ic1cncs1 1P009R22 [2,0,0,0,0,0|2,0,0]=4 1121 B6R1.2 Ic1cnn[nH]1 1P01BK7I [2,0,0,0,0,0|2,0,0]=4 1122 B6R1.2 N=c1[nH]nc[nH]1 1P01JAEN [2,0,0,0,0,0|1,0,1]=4 1123 B6R1.2 NC1=CCNN1 1P01C548 [2,0,0,0,0,0|2,0,0]=4 1124 B6R1.2 Nc1c[nH]cc1 1P003AMF [2,0,0,0,0,0|1,0,1]=4 1125 B6R1.2 Nc1c[nH]nc1 1P002VTR [2,0,0,0,0,0|2,0,0]=4 1126 B6R1.2 Nc1c[nH]nc1 1P0074MC [2,0,0,0,0,0|2,0,0]=4 1127 B6R1.2 Nc1c[nH]nc1 1P0092UA [2,0,0,0,0,0|2,0,0]=4 1128 B6R1.2 Nc1ccn[nH]1 1P00I0ST [2,0,0,0,0,0|2,0,0]=4 1129 B6R1.2 Nc1ccno1 1P001ES2 [2,0,0,0,0,0|2,0,0]=4 1130 B6R1.2 Nc1ccns1 1P003AW8 [2,0,0,0,0,0|2,0,0]=4 1131 B6R1.2 Nc1cn[nH]n1 1P00J1V3 [2,0,0,0,0,0|1,0,1]=4 1132 B6R1.2 Nc1cnc[nH]1 1P000S6U [2,0,0,0,0,0|0,0,0]=2 1133 B6R1.2 Nc1cncs1 1P0025NE [2,0,0,0,0,0|1,0,0]=3 1134 B6R1.2 Nc1cncs1 1P0034NP [2,0,0,0,0,0|1,0,0]=3 1135 B6R1.2 Nc1cnns1 1P0034N4 [2,0,0,0,0,0|2,0,0]=4 1136 B6R1.2 Nc1cnon1 1P00646W [2,0,0,0,0,0|1,0,1]=4 1137 B6R1.2 Nc1cnsn1 1P01A0F4 [2,0,0,0,0,0|1,0,1]=4 1138 B6R1.2 Nc1conc1 1P008RI0 [2,0,0,0,0,0|2,0,0]=4 1139 B6R1.2 Nc1conc1 1P008U89 [2,0,0,0,0,0|2,0,0]=4 1140 B6R1.2 Nc1cscc1 1P00BFOP [2,0,0,0,0,0|2,0,0]=4 1141 B6R1.2 Nc1cscn1 1P0025NF [2,0,0,0,0,0|1,0,1]=4 1142 B6R1.2 Nc1csnc1 1P0037IR [2,0,0,0,0,0|2,0,0]=4 1143 B6R1.2 Nc1csnc1 1P00EIUC [2,0,0,0,0,0|2,0,0]=4 1144 B6R1.2 Nc1csnc1 1P01B2JY [2,0,0,0,0,0|2,0,0]=4 1145 B6R1.2 Nc1nc[nH]c1 1P0039YW [2,0,0,0,0,0|0,0,2]=4 1146 B6R1.2 Nc1ncc[nH]1 1P001KWS [2,0,0,0,0,0|2,0,0]=4 1147 B6R1.2 Nc1ncc[nH]1 1P00338E [2,0,0,0,0,0|2,0,0]=4 1148 B6R1.2 Nc1ncns1 1P001RDR [2,0,0,0,0,0|1,0,1]=4 1149 B6R1.2 Nc1ncns1 1P003DRQ [2,0,0,0,0,0|1,0,1]=4 1150 B6R1.2 Nc1ncns1 1P008QCV [2,0,0,0,0,0|1,0,1]=4 1151 B6R1.2 Nc1nnc[nH]1 1P00EIW3 [2,0,0,0,0,0|1,0,0]=3 1152 B6R1.2 Nc1nnco1 1P00CJA5 [2,0,0,0,0,0|2,0,0]=4 1153 B6R1.2 Nc1nncs1 1P0033JF [2,0,0,0,0,0|2,0,0]=4 1154 B6R1.2 Nc1nnn[nH]1 1P0034N7 [2,0,0,0,0,0|2,0,0]=4 1155 B6R1.2 Nc1scnc1 1P01C520 [2,0,0,0,0,0|1,0,0]=3 1156 B6R1.2 Nn1cncc1 1P003959 [2,0,0,0,0,0|2,0,0]=4 1157 B6R1.2 Nn1cncc1 1P0039HI [2,0,0,0,0,0|2,0,0]=4 1158 B6R1.2 Nn1cncn1 1P002QLD [2,0,0,0,0,0|1,0,1]=4 1159 B8R0.5 NCCC(=O)NC(=O)N 1P019U7W [0,1,1,0,0,0|1,0,1]=4 1160 B8R1.1 BrCc1cnc(s1)Br 1P00105F [1,1,0,0,0,0|2,0,0]=4 1161 B8R1.1 CCc1[nH]nc(n1)C 1P01AIUA [1,1,0,0,0,0|1,0,1]=4 1162 B8R1.1 CCc1c[nH]c(=O)[nH]1 1P004V42 [1,1,0,0,0,0|0,0,1]=3 1163 B8R1.1 CCc1c[nH]c(n1)N 1P01K4BQ [1,1,0,0,0,0|0,0,2]=4 1164 B8R1.1 CCc1c[nH]c(n1)S 1P01A0M7 [1,1,0,0,0,0|0,0,2]=4 1165 B8R1.1 CCc1cc(cs1)Br 1P01AOZS [1,1,0,0,0,0|2,0,0]=4 1166 B8R1.1 CCc1cc(n[nH]1)N 1P002F0M [1,1,0,0,0,0|2,0,0]=4 1167 B8R1.1 CCc1cc(n[nH]1)O 1P00CN5C [1,1,0,0,0,0|2,0,0]=4 1168 B8R1.1 CCc1cc(no1)N 1P002BCI [1,1,0,0,0,0|2,0,0]=4 1169 B8R1.1 CCc1ccc(o1)C 1P0039DO [1,1,0,0,0,0|2,0,0]=4 1170 B8R1.1 CCc1ccc(s1)Br 1P00ECEK [1,1,0,0,0,0|2,0,0]=4 1171 B8R1.1 CCc1ccc(s1)C 1P003HNV [1,1,0,0,0,0|2,0,0]=4 1172 B8R1.1 CCc1ccc(s1)O 1P01DXA4 [1,1,0,0,0,0|2,0,0]=4 1173 B8R1.1 CCc1ccc(s1)S 1P01BJP5 [1,1,0,0,0,0|2,0,0]=4 1174 B8R1.1 CCc1cnc([nH]1)Br 1P0224G8 [1,1,0,0,0,0|0,0,0]=2 1175 B8R1.1 CCc1cnc(o1)Br 1P01BIV2 [1,1,0,0,0,0|1,0,0]=3 1176 B8R1.1 CCc1cnc(o1)Cl 1P028J9N [1,1,0,0,0,0|1,0,0]=3 1177 B8R1.1 CCc1cnc(o1)N 1P019YWP [1,1,0,0,0,0|1,0,0]=3 1178 B8R1.1 CCc1cnc(s1)Br 1P00AO2J [1,1,0,0,0,0|1,0,0]=3 1179 B8R1.1 CCc1cnc(s1)Cl 1P00GML7 [1,1,0,0,0,0|1,0,0]=3 1180 B8R1.1 CCc1cnc(s1)N 1P0037QG [1,1,0,0,0,0|1,0,0]=3 1181 B8R1.1 CCc1cnc(s1)N 1P01CD9U [1,1,0,0,0,0|1,0,0]=3 1182 B8R1.1 CCc1coc(n1)Br 1P01BB5C [1,1,0,0,0,0|1,0,1]=4 1183 B8R1.1 CCc1coc(n1)I 1P02928W [1,1,0,0,0,0|1,0,1]=4 1184 B8R1.1 CCc1coc(n1)N 1P01B8TQ [1,1,0,0,0,0|1,0,1]=4 1185 B8R1.1 CCc1csc(=O)[nH]1 1P01ANOJ [1,1,0,0,0,0|1,0,0]=3 1186 B8R1.1 CCc1csc(=S)[nH]1 1P01ACVC [1,1,0,0,0,0|1,0,0]=3 1187 B8R1.1 CCc1csc(c1)C 1P0012TP [1,1,0,0,0,0|2,0,0]=4 1188 B8R1.1 CCc1csc(n1)Br 1P00GUYM [1,1,0,0,0,0|1,0,1]=4 1189 B8R1.1 CCc1csc(n1)Cl 1P00H739 [1,1,0,0,0,0|1,0,1]=4 1190 B8R1.1 CCc1csc(n1)F 1P01BTYJ [1,1,0,0,0,0|1,0,1]=4 1191 B8R1.1 CCc1csc(n1)N 1P00C90S [1,1,0,0,0,0|1,0,1]=4 1192 B8R1.1 CCc1csc(n1)N 1P00J3VY [1,1,0,0,0,0|1,0,1]=4 1193 B8R1.1 CCc1nc(n[nH]1)Cl 1P00JDFR [1,1,0,0,0,0|1,0,1]=4 1194 B8R1.1 CCc1nc(n[nH]1)N 1P0036NB [1,1,0,0,0,0|1,0,1]=4 1195 B8R1.1 CCc1nc(n[nH]1)S 1P005QA2 [1,1,0,0,0,0|1,0,1]=4 1196 B8R1.1 CCc1nc(no1)Br 1P009E8L [1,1,0,0,0,0|1,0,1]=4 1197 B8R1.1 CCc1nc(no1)Cl 1P009EEQ [1,1,0,0,0,0|1,0,1]=4 1198 B8R1.1 CCc1nc(no1)N 1P00HZZ7 [1,1,0,0,0,0|1,0,1]=4 1199 B8R1.1 CCc1nc(ns1)N 1P01FJXL [1,1,0,0,0,0|1,0,1]=4 1200 B8R1.1 CCc1ncc([nH]1)Br 1P001DNI [1,1,0,0,0,0|2,0,0]=4 1201 B8R1.1 CCc1ncc([nH]1)C 1P003HNU [1,1,0,0,0,0|2,0,0]=4 1202 B8R1.1 CCc1ncc([nH]1)I 1P01DX7U [1,1,0,0,0,0|2,0,0]=4 1203 B8R1.1 CCc1ncn(c1)C 1P01C101 [1,1,0,0,0,0|0,0,2]=4 1204 B8R1.1 CCc1nnc(o1)Br 1P023OH3 [1,1,0,0,0,0|2,0,0]=4 1205 B8R1.1 CCc1nnc(o1)Cl 1P01DZ5Z [1,1,0,0,0,0|2,0,0]=4 1206 B8R1.1 CCc1nnc(o1)N 1P00C964 [1,1,0,0,0,0|2,0,0]=4 1207 B8R1.1 CCc1nnc(o1)O 1P00D3D6 [1,1,0,0,0,0|2,0,0]=4 1208 B8R1.1 CCc1nnc(s1)Br 1P00EG7Z [1,1,0,0,0,0|2,0,0]=4 1209 B8R1.1 CCc1nnc(s1)Cl 1P005Q27 [1,1,0,0,0,0|2,0,0]=4 1210 B8R1.1 CCc1nnc(s1)I 1P01DVUL [1,1,0,0,0,0|2,0,0]=4 1211 B8R1.1 CCc1nnc(s1)N 1P001D5E [1,1,0,0,0,0|2,0,0]=4 1212 B8R1.1 CCc1nnc(s1)O 1P00HT7G [1,1,0,0,0,0|2,0,0]=4 1213 B8R1.1 CCn1cnc(c1)Br 1P0039KZ [1,1,0,0,0,0|2,0,0]=4 1214 B8R1.1 CCn1cnc(c1)I 1P01B9YQ [1,1,0,0,0,0|2,0,0]=4 1215 B8R1.1 CCn1cnc(c1)N 1P01EIG5 [1,1,0,0,0,0|2,0,0]=4 1216 B8R1.1 CCn1cnc(n1)Br 1P00EKD1 [1,1,0,0,0,0|1,0,1]=4 1217 B8R1.1 CCn1cnc(n1)N 1P00CUS9 [1,1,0,0,0,0|1,0,1]=4 1218 B8R1.1 CCn1cnc(n1)N 1P00J1FX [1,1,0,0,0,0|1,0,1]=4 1219 B8R1.1 COc1cnc(s1)C 1P00BXUC [1,1,0,0,0,0|2,0,0]=4 1220 B8R1.1 COc1cnc(s1)N 1P00EAWD [1,1,0,0,0,0|2,0,0]=4 1221 B8R1.1 CSc1cnc(s1)N 1P00IKP2 [1,1,0,0,0,0|2,0,0]=4 1222 B8R1.1 Cc1cc([nH]n1)CN 1P00DDAT [1,1,0,0,0,0|2,0,0]=4 1223 B8R1.1 Cc1cc([nH]n1)CN 1P00J1L2 [1,1,0,0,0,0|2,0,0]=4 1224 B8R1.1 Cc1cc(on1)CN 1P0039IC [1,1,0,0,0,0|2,0,0]=4 1225 B8R1.1 Cc1cc(on1)CN 1P00FGSG [1,1,0,0,0,0|2,0,0]=4 1226 B8R1.1 Cc1cc(sc1)CN 1P01C1JY [1,1,0,0,0,0|2,0,0]=4 1227 B8R1.1 Cc1cc(sn1)CN 1P023OR9 [1,1,0,0,0,0|2,0,0]=4 1228 B8R1.1 Cc1ccc(o1)CN 1P001CFL [1,1,0,0,0,0|2,0,0]=4 1229 B8R1.1 Cc1ccc(s1)CN 1P0085BO [1,1,0,0,0,0|2,0,0]=4 1230 B8R1.1 Cc1ccc(s1)CN 1P00AKVE [1,1,0,0,0,0|2,0,0]=4 1231 B8R1.1 Cc1nc([nH]n1)CN 1P009VYP [1,1,0,0,0,0|1,0,1]=4 1232 B8R1.1 Cc1nc(co1)CN 1P008SCE [1,1,0,0,0,0|1,0,1]=4 1233 B8R1.1 Cc1nc(co1)CN 1P021MU1 [1,1,0,0,0,0|1,0,1]=4 1234 B8R1.1 Cc1nc(cs1)CN 1P007GCS [1,1,0,0,0,0|1,0,1]=4 1235 B8R1.1 Cc1nc(cs1)CN 1P00932L [1,1,0,0,0,0|1,0,1]=4 1236 B8R1.1 Cc1nc(on1)CN 1P00BHFT [1,1,0,0,0,0|1,0,1]=4 1237 B8R1.1 Cc1nc(sn1)CN 1P028HP8 [1,1,0,0,0,0|1,0,1]=4 1238 B8R1.1 Cc1ncc([nH]1)C=O 1P007GWA [1,1,0,0,0,0|1,0,1]=4 1239 B8R1.1 Cc1ncc(o1)CCl 1P000PRG [1,1,0,0,0,0|2,0,0]=4 1240 B8R1.1 Cc1ncc(o1)CCl 1P028AOH [1,1,0,0,0,0|2,0,0]=4 1241 B8R1.1 Cc1ncc(o1)CN 1P01C312 [1,1,0,0,0,0|1,0,0]=3 1242 B8R1.1 Cc1ncc(o1)CO 1P0092QJ [1,1,0,0,0,0|2,0,0]=4 1243 B8R1.1 Cc1ncc(o1)CS 1P01C9S1 [1,1,0,0,0,0|2,0,0]=4 1244 B8R1.1 Cc1ncc(s1)CBr 1P00IDSU [1,1,0,0,0,0|2,0,0]=4 1245 B8R1.1 Cc1ncc(s1)CBr 1P02939Y [1,1,0,0,0,0|2,0,0]=4 1246 B8R1.1 Cc1ncc(s1)CCl 1P00F69F [1,1,0,0,0,0|2,0,0]=4 1247 B8R1.1 Cc1ncc(s1)CCl 1P01BIY6 [1,1,0,0,0,0|2,0,0]=4 1248 B8R1.1 Cc1ncc(s1)CN 1P00ED8F [1,1,0,0,0,0|1,0,0]=3 1249 B8R1.1 Cc1ncc(s1)CN 1P00HBF4 [1,1,0,0,0,0|1,0,0]=3 1250 B8R1.1 Cc1ncc(s1)CO 1P00DJHY [1,1,0,0,0,0|2,0,0]=4 1251 B8R1.1 Cc1nnc([nH]1)CBr 1P028479 [1,1,0,0,0,0|2,0,0]=4 1252 B8R1.1 Cc1nnc(o1)CN 1P000EDS [1,1,0,0,0,0|2,0,0]=4 1253 B8R1.1 Cc1nnc(s1)CN 1P005BMI [1,1,0,0,0,0|2,0,0]=4 1254 B8R1.1 ClCc1cnc(s1)Cl 1P0033OW [1,1,0,0,0,0|2,0,0]=4 1255 B8R1.1 Clc1ncc(s1)CBr 1P002LBR [1,1,0,0,0,0|2,0,0]=4 1256 B8R1.1 Cn1cc(nc1)CN 1P001BKI [1,1,0,0,0,0|0,0,2]=4 1257 B8R1.1 Cn1cc(nc1)CN 1P006WSU [1,1,0,0,0,0|0,0,2]=4 1258 B8R1.1 Cn1nc(cn1)CN 1P01BBNH [1,1,0,0,0,0|1,0,1]=4 1259 B8R1.1 NCc1[nH][nH]c(=O)c1 1P01C54F [1,1,0,0,0,0|2,0,0]=4 1260 B8R1.1 NCc1[nH]cc(n1)C 1P00G8P1 [1,1,0,0,0,0|2,0,0]=4 1261 B8R1.1 NCc1[nH]nc(c1)C 1P00HBXH [1,1,0,0,0,0|2,0,0]=4 1262 B8R1.1 NCc1[nH]nc(n1)N 1P008UTS [1,1,0,0,0,0|1,0,1]=4 1263 B8R1.1 NCc1[nH]nc(n1)N 1P00I4OY [1,1,0,0,0,0|1,0,1]=4 1264 B8R1.1 NCc1c[nH]c(=O)[nH]1 1P01C51U [1,1,0,0,0,0|0,0,1]=3 1265 B8R1.1 NCc1cc(c[nH]1)Br 1P019TPI [1,1,0,0,0,0|1,0,0]=3 1266 B8R1.1 NCc1cc(co1)Br 1P01KKNK [1,1,0,0,0,0|2,0,0]=4 1267 B8R1.1 NCc1cc(co1)Br 1P028RHQ [1,1,0,0,0,0|2,0,0]=4 1268 B8R1.1 NCc1cc(cs1)Br 1P000EAH [1,1,0,0,0,0|2,0,0]=4 1269 B8R1.1 NCc1cc(cs1)Br 1P00DEUQ [1,1,0,0,0,0|2,0,0]=4 1270 B8R1.1 NCc1cc(cs1)Cl 1P00C1R1 [1,1,0,0,0,0|2,0,0]=4 1271 B8R1.1 NCc1cc(cs1)F 1P028FQL [1,1,0,0,0,0|2,0,0]=4 1272 B8R1.1 NCc1cc(cs1)I 1P028BGB [1,1,0,0,0,0|2,0,0]=4 1273 B8R1.1 NCc1cc(no1)Br 1P002URC [1,1,0,0,0,0|2,0,0]=4 1274 B8R1.1 NCc1cc(no1)Br 1P00GVCJ [1,1,0,0,0,0|2,0,0]=4 1275 B8R1.1 NCc1cc(no1)Cl 1P028MR2 [1,1,0,0,0,0|2,0,0]=4 1276 B8R1.1 NCc1ccc(o1)Br 1P002T5R [1,1,0,0,0,0|2,0,0]=4 1277 B8R1.1 NCc1ccc(o1)Br 1P01AGAI [1,1,0,0,0,0|2,0,0]=4 1278 B8R1.1 NCc1ccc(o1)Cl 1P00BSTO [1,1,0,0,0,0|2,0,0]=4 1279 B8R1.1 NCc1ccc(s1)Br 1P0001JY [1,1,0,0,0,0|2,0,0]=4 1280 B8R1.1 NCc1ccc(s1)Br 1P00ECLH [1,1,0,0,0,0|2,0,0]=4 1281 B8R1.1 NCc1ccc(s1)Cl 1P007QUC [1,1,0,0,0,0|2,0,0]=4 1282 B8R1.1 NCc1ccc(s1)Cl 1P00DFJL [1,1,0,0,0,0|2,0,0]=4 1283 B8R1.1 NCc1ccc(s1)F 1P00CGEU [1,1,0,0,0,0|2,0,0]=4 1284 B8R1.1 NCc1ccc(s1)I 1P028DJT [1,1,0,0,0,0|2,0,0]=4 1285 B8R1.1 NCc1ccn(c1)C 1P002KA3 [1,1,0,0,0,0|1,0,1]=4 1286 B8R1.1 NCc1cnc(s1)Br 1P0001K3 [1,1,0,0,0,0|1,0,0]=3 1287 B8R1.1 NCc1cnc(s1)Br 1P00105E [1,1,0,0,0,0|1,0,0]=3 1288 B8R1.1 NCc1cnc(s1)Br 1P01B9CA [1,1,0,0,0,0|1,0,0]=3 1289 B8R1.1 NCc1cnc(s1)Cl 1P0036LR [1,1,0,0,0,0|1,0,0]=3 1290 B8R1.1 NCc1cnc(s1)Cl 1P00AKVT [1,1,0,0,0,0|1,0,0]=3 1291 B8R1.1 NCc1cnc(s1)N 1P01EKLE [1,1,0,0,0,0|1,0,0]=3 1292 B8R1.1 NCc1cnn(c1)C 1P00397N [1,1,0,0,0,0|2,0,0]=4 1293 B8R1.1 NCc1cnn(c1)C 1P007UMZ [1,1,0,0,0,0|2,0,0]=4 1294 B8R1.1 NCc1cnn(c1)C 1P00915K [1,1,0,0,0,0|2,0,0]=4 1295 B8R1.1 NCc1coc(c1)C 1P01E7IU [1,1,0,0,0,0|2,0,0]=4 1296 B8R1.1 NCc1coc(n1)Cl 1P01ANLV [1,1,0,0,0,0|1,0,1]=4 1297 B8R1.1 NCc1csc(=O)[nH]1 1P01A0VR [1,1,0,0,0,0|1,0,0]=3 1298 B8R1.1 NCc1csc(c1)Br 1P0091TL [1,1,0,0,0,0|2,0,0]=4 1299 B8R1.1 NCc1csc(c1)Br 1P01A838 [1,1,0,0,0,0|2,0,0]=4 1300 B8R1.1 NCc1csc(c1)C 1P01APJ1 [1,1,0,0,0,0|2,0,0]=4 1301 B8R1.1 NCc1csc(c1)Cl 1P0099TB [1,1,0,0,0,0|2,0,0]=4 1302 B8R1.1 NCc1csc(n1)Br 1P027TAK [1,1,0,0,0,0|1,0,1]=4 1303 B8R1.1 NCc1csc(n1)C 1P00932M [1,1,0,0,0,0|1,0,1]=4 1304 B8R1.1 NCc1csc(n1)Cl 1P01K1JR [1,1,0,0,0,0|1,0,1]=4 1305 B8R1.1 NCc1csc(n1)N 1P00J1OY [1,1,0,0,0,0|1,0,1]=4 1306 B8R1.1 NCc1n[nH]c(=O)[nH]1 1P00BZDD [1,1,0,0,0,0|1,0,1]=4 1307 B8R1.1 NCc1ncn(c1)C 1P002311 [1,1,0,0,0,0|0,0,2]=4 1308 B8R1.1 NCc1nnc(o1)N 1P01AG05 [1,1,0,0,0,0|2,0,0]=4 1309 B8R1.1 NCc1nnc(s1)N 1P00EEHT [1,1,0,0,0,0|2,0,0]=4 1310 B8R1.1 NCc1nnc(s1)S 1P028RV5 [1,1,0,0,0,0|2,0,0]=4 1311 B8R1.1 NCc1onc(c1)N 1P028C3Y [1,1,0,0,0,0|2,0,0]=4 1312 B8R1.1 NCc1snc(c1)O 1P027VX8 [1,1,0,0,0,0|2,0,0]=4 1313 B8R1.1 NNc1cnc(s1)C 1P028I3Q [1,1,0,0,0,0|2,0,0]=4 1314 B8R1.1 Nc1ncc(s1)CO 1P000W4R [1,1,0,0,0,0|2,0,0]=4 1315 B8R1.1 O=CC1=CN=C(Br)N1 1P01K7YO [1,1,0,0,0,0|1,0,1]=4 1316 B8R1.1 O=CC1=CN=C(Cl)N1 1P01FX29 [1,1,0,0,0,0|1,0,1]=4 1317 B8R1.1 OCc1cnc([nH]1)Br 1P028M54 [1,1,0,0,0,0|1,0,0]=3 1318 B8R1.1 OCc1cnc(o1)Br 1P0095BO [1,1,0,0,0,0|2,0,0]=4 1319 B8R1.1 OCc1cnc(o1)N 1P01FJXQ [1,1,0,0,0,0|2,0,0]=4 1320 B8R1.1 OCc1cnc(s1)Br 1P006HSF [1,1,0,0,0,0|2,0,0]=4 1321 B8R1.1 OCc1cnc(s1)Cl 1P001KY7 [1,1,0,0,0,0|2,0,0]=4 1322 B8R1.1 SCc1cnc(s1)Cl 1P01FFB6 [1,1,0,0,0,0|2,0,0]=4 1323 B8R1.7 CC(=O)c1ccc[nH]1 1P003GRE [1,1,0,0,0,0|1,0,1]=4 1324 B8R1.7 CC(=O)c1cnco1 1P009KIG [1,1,0,0,0,0|1,0,1]=4 1325 B8R1.7 CC(=O)c1cncs1 1P00GT31 [1,1,0,0,0,0|1,0,1]=4 1326 B8R1.7 CC(=O)c1cnn[nH]1 1P024SAL [1,1,0,0,0,0|1,0,1]=4 1327 B8R1.7 CC(=O)c1nnc[nH]1 1P00ADE4 [1,1,0,0,0,0|1,0,1]=4 1328 B8R1.7 CC(c1[nH]cnc1)N 1P01K4D3 [1,1,0,0,0,0|0,0,0]=2 1329 B8R1.7 CC(c1c[nH]cc1)N 1P01A4UJ [1,1,0,0,0,0|1,0,1]=4 1330 B8R1.7 CC(c1c[nH]nc1)C 1P0013YN [1,1,0,0,0,0|2,0,0]=4 1331 B8R1.7 CC(c1c[nH]nc1)C 1P00J2T0 [1,1,0,0,0,0|2,0,0]=4 1332 B8R1.7 CC(c1c[nH]nc1)N 1P01A3A5 [1,1,0,0,0,0|2,0,0]=4 1333 B8R1.7 CC(c1c[nH]nc1)N 1P01AF15 [1,1,0,0,0,0|2,0,0]=4 1334 B8R1.7 CC(c1c[nH]nc1)N 1P028UUT [1,1,0,0,0,0|2,0,0]=4 1335 B8R1.7 CC(c1c[nH]nc1)O 1P02047V [1,1,0,0,0,0|2,0,0]=4 1336 B8R1.7 CC(c1ccc[nH]1)N 1P01A3OU [1,1,0,0,0,0|1,0,0]=3 1337 B8R1.7 CC(c1ccco1)C 1P003HYG [1,1,0,0,0,0|2,0,0]=4 1338 B8R1.7 CC(c1ccco1)N 1P00BDMZ [1,1,0,0,0,0|2,0,0]=4 1339 B8R1.7 CC(c1ccco1)N 1P019N05 [1,1,0,0,0,0|2,0,0]=4 1340 B8R1.7 CC(c1ccco1)O 1P00I8MZ [1,1,0,0,0,0|2,0,0]=4 1341 B8R1.7 CC(c1ccco1)S 1P01A8IC [1,1,0,0,0,0|2,0,0]=4 1342 B8R1.7 CC(c1cccs1)N 1P0032QU [1,1,0,0,0,0|2,0,0]=4 1343 B8R1.7 CC(c1cccs1)N 1P00ATK3 [1,1,0,0,0,0|2,0,0]=4 1344 B8R1.7 CC(c1cccs1)O 1P002MMU [1,1,0,0,0,0|2,0,0]=4 1345 B8R1.7 CC(c1cccs1)S 1P01AKH2 [1,1,0,0,0,0|2,0,0]=4 1346 B8R1.7 CC(c1ccno1)O 1P0289RW [1,1,0,0,0,0|2,0,0]=4 1347 B8R1.7 CC(c1ccns1)N 1P01BY3O [1,1,0,0,0,0|2,0,0]=4 1348 B8R1.7 CC(c1ccns1)N 1P01BY4V [1,1,0,0,0,0|2,0,0]=4 1349 B8R1.7 CC(c1cnc[nH]1)O 1P00EG08 [1,1,0,0,0,0|0,0,0]=2 1350 B8R1.7 CC(c1cnco1)O 1P028HP9 [1,1,0,0,0,0|1,0,0]=3 1351 B8R1.7 CC(c1cncs1)N 1P0099H5 [1,1,0,0,0,0|1,0,0]=3 1352 B8R1.7 CC(c1cncs1)N 1P01EII7 [1,1,0,0,0,0|1,0,0]=3 1353 B8R1.7 CC(c1cncs1)O 1P00D74H [1,1,0,0,0,0|1,0,0]=3 1354 B8R1.7 CC(c1cocc1)N 1P00BDB1 [1,1,0,0,0,0|2,0,0]=4 1355 B8R1.7 CC(c1cocc1)N 1P01A1FQ [1,1,0,0,0,0|2,0,0]=4 1356 B8R1.7 CC(c1cocc1)S 1P0291JO [1,1,0,0,0,0|2,0,0]=4 1357 B8R1.7 CC(c1cocn1)N 1P0286V2 [1,1,0,0,0,0|1,0,1]=4 1358 B8R1.7 CC(c1cocn1)O 1P020N34 [1,1,0,0,0,0|1,0,1]=4 1359 B8R1.7 CC(c1cscc1)N 1P008U4D [1,1,0,0,0,0|2,0,0]=4 1360 B8R1.7 CC(c1cscc1)O 1P00AT04 [1,1,0,0,0,0|2,0,0]=4 1361 B8R1.7 CC(c1cscn1)N 1P0089QY [1,1,0,0,0,0|1,0,1]=4 1362 B8R1.7 CC(c1cscn1)O 1P01A4T6 [1,1,0,0,0,0|1,0,1]=4 1363 B8R1.7 CC(c1csnc1)N 1P027Z0S [1,1,0,0,0,0|2,0,0]=4 1364 B8R1.7 CC(c1nc[nH]c1)C 1P003M28 [1,1,0,0,0,0|0,0,2]=4 1365 B8R1.7 CC(c1nc[nH]c1)N 1P00HSY9 [1,1,0,0,0,0|0,0,2]=4 1366 B8R1.7 CC(c1ncc[nH]1)C 1P003BPB [1,1,0,0,0,0|2,0,0]=4 1367 B8R1.7 CC(c1ncc[nH]1)N 1P00J2U6 [1,1,0,0,0,0|2,0,0]=4 1368 B8R1.7 CC(c1ncc[nH]1)O 1P00C3YX [1,1,0,0,0,0|2,0,0]=4 1369 B8R1.7 CC(c1ncc[nH]1)O 1P028EA4 [1,1,0,0,0,0|2,0,0]=4 1370 B8R1.7 CC(c1ncn[nH]1)C 1P00C2M9 [1,1,0,0,0,0|1,0,1]=4 1371 B8R1.7 CC(c1ncno1)Cl 1P019SJY [1,1,0,0,0,0|1,0,1]=4 1372 B8R1.7 CC(c1nnc[nH]1)Cl 1P01FINR [1,1,0,0,0,0|1,0,0]=3 1373 B8R1.7 CC(c1nnc[nH]1)O 1P01B7V4 [1,1,0,0,0,0|1,0,0]=3 1374 B8R1.7 CC(c1nnco1)Cl 1P028B33 [1,1,0,0,0,0|2,0,0]=4 1375 B8R1.7 CC(c1nnco1)N 1P00KCOG [1,1,0,0,0,0|2,0,0]=4 1376 B8R1.7 CC(c1nncs1)N 1P028YEU [1,1,0,0,0,0|2,0,0]=4 1377 B8R1.7 CC(c1nnn[nH]1)C 1P00EA2S [1,1,0,0,0,0|2,0,0]=4 1378 B8R1.7 CC(c1nnn[nH]1)N 1P00J1YF [1,1,0,0,0,0|2,0,0]=4 1379 B8R1.7 CC(c1ocnc1)C 1P01E7KI [1,1,0,0,0,0|1,0,0]=3 1380 B8R1.7 CC(c1ocnc1)N 1P01EIHC [1,1,0,0,0,0|1,0,0]=3 1381 B8R1.7 CC(c1ocnn1)C 1P001M1E [1,1,0,0,0,0|2,0,0]=4 1382 B8R1.7 CC(c1scnc1)C 1P001WUZ [1,1,0,0,0,0|1,0,0]=3 1383 B8R1.7 CC(c1scnc1)N 1P024UN9 [1,1,0,0,0,0|1,0,0]=3 1384 B8R1.7 CC(n1cncc1)C 1P003397 [1,1,0,0,0,0|2,0,0]=4 1385 B8R1.7 CC(n1ncnc1)C 1P00EK8B [1,1,0,0,0,0|1,0,1]=4 1386 B8R1.7 CN(c1[nH]cnn1)C 1P0285OW [1,1,0,0,0,0|2,0,0]=4 1387 B8R1.7 CS(=O)c1nnc[nH]1 1P01DUSF [1,1,0,0,0,0|2,0,0]=4 1388 B8R1.7 C[C@@H](c1c[nH]cn1)O 1P028MGD [1,1,0,0,0,0|0,0,2]=4 1389 B8R1.7 C[C@@H](c1ccco1)O 1P0079X7 [1,1,0,0,0,0|2,0,0]=4 1390 B8R1.7 C[C@@H](c1cccs1)N 1P000V48 [1,1,0,0,0,0|2,0,0]=4 1391 B8R1.7 C[C@@H](c1cccs1)N 1P00BJRY [1,1,0,0,0,0|2,0,0]=4 1392 B8R1.7 C[C@@H](c1cccs1)O 1P00BC2M [1,1,0,0,0,0|2,0,0]=4 1393 B8R1.7 C[C@@H](c1ccns1)O 1P027Z4B [1,1,0,0,0,0|2,0,0]=4 1394 B8R1.7 C[C@@H](c1cncs1)O 1P01A5H7 [1,1,0,0,0,0|1,0,0]=3 1395 B8R1.7 C[C@@H](c1cncs1)O 1P01AJLF [1,1,0,0,0,0|1,0,0]=3 1396 B8R1.7 C[C@@H](c1cocc1)N 1P01KKHI [1,1,0,0,0,0|2,0,0]=4 1397 B8R1.7 C[C@@H](c1cocc1)O 1P019ZQQ [1,1,0,0,0,0|2,0,0]=4 1398 B8R1.7 C[C@@H](c1cscc1)N 1P00ASPZ [1,1,0,0,0,0|2,0,0]=4 1399 B8R1.7 C[C@@H](c1cscc1)N 1P029045 [1,1,0,0,0,0|2,0,0]=4 1400 B8R1.7 C[C@@H](c1cscn1)O 1P0283B6 [1,1,0,0,0,0|1,0,1]=4 1401 B8R1.7 C[C@@H](c1ncc[nH]1)N 1P01ALS4 [1,1,0,0,0,0|2,0,0]=4 1402 B8R1.7 C[C@@H](c1ncsc1)N 1P01K4C3 [1,1,0,0,0,0|1,0,1]=4 1403 B8R1.7 C[C@@H](c1scnc1)N 1P01AGG1 [1,1,0,0,0,0|1,0,0]=3 1404 B8R1.7 C[C@H](c1[nH]cnn1)N 1P028KX1 [1,1,0,0,0,0|1,0,0]=3 1405 B8R1.7 C[C@H](c1c[nH]cn1)O 1P028G39 [1,1,0,0,0,0|0,0,2]=4 1406 B8R1.7 C[C@H](c1ccco1)N 1P01JV6O [1,1,0,0,0,0|2,0,0]=4 1407 B8R1.7 C[C@H](c1ccco1)O 1P00IN2M [1,1,0,0,0,0|2,0,0]=4 1408 B8R1.7 C[C@H](c1cccs1)N 1P00BJSF [1,1,0,0,0,0|2,0,0]=4 1409 B8R1.7 C[C@H](c1cccs1)N 1P01JV6J [1,1,0,0,0,0|2,0,0]=4 1410 B8R1.7 C[C@H](c1cccs1)O 1P003BWH [1,1,0,0,0,0|2,0,0]=4 1411 B8R1.7 C[C@H](c1ccns1)O 1P027YNI [1,1,0,0,0,0|2,0,0]=4 1412 B8R1.7 C[C@H](c1cncs1)O 1P01AJLG [1,1,0,0,0,0|1,0,0]=3 1413 B8R1.7 C[C@H](c1cocc1)N 1P028M77 [1,1,0,0,0,0|2,0,0]=4 1414 B8R1.7 C[C@H](c1cocc1)O 1P019ZUH [1,1,0,0,0,0|2,0,0]=4 1415 B8R1.7 C[C@H](c1cscc1)N 1P028ZD0 [1,1,0,0,0,0|2,0,0]=4 1416 B8R1.7 C[C@H](c1cscn1)O 1P0282TD [1,1,0,0,0,0|1,0,1]=4 1417 B8R1.7 C[C@H](c1ncc[nH]1)N 1P01AM7T [1,1,0,0,0,0|2,0,0]=4 1418 B8R1.7 C[C@H](c1ncsc1)N 1P01K4RV [1,1,0,0,0,0|1,0,1]=4 1419 B8R1.7 C[C@H](c1scnc1)N 1P01A5OR [1,1,0,0,0,0|1,0,0]=3 1420 B8R1.7 NC(=N)c1[nH]cnn1 1P028RW0 [1,1,0,0,0,0|1,0,1]=4 1421 B8R1.7 NC(=N)c1ccc[nH]1 1P0284JU [1,1,0,0,0,0|1,0,1]=4 1422 B8R1.7 NC(=N)c1cncs1 1P01BFO7 [1,1,0,0,0,0|1,0,1]=4 1423 B8R1.7 NC(=N)c1nnc[nH]1 1P01A786 [1,1,0,0,0,0|1,0,1]=4 1424 B8R1.7 NC(=N)c1nnc[nH]1 1P01BDNE [1,1,0,0,0,0|1,0,1]=4 1425 B8R1.7 NC(=O)c1ccc[nH]1 1P00DASS [1,1,0,0,0,0|1,0,1]=4 1426 B8R1.7 NC(=O)c1cnco1 1P001QI7 [1,1,0,0,0,0|1,0,1]=4 1427 B8R1.7 NC(=O)c1cncs1 1P008QNN [1,1,0,0,0,0|1,0,1]=4 1428 B8R1.7 NC(=S)c1ccc[nH]1 1P00I7UK [1,1,0,0,0,0|1,0,1]=4 1429 B8R1.7 NC(=S)c1cnco1 1P0046TH [1,1,0,0,0,0|1,0,1]=4 1430 B8R1.7 NC(=S)c1cncs1 1P00BZE4 [1,1,0,0,0,0|1,0,1]=4 1431 B8R1.7 NC(=S)c1nnc[nH]1 1P019N4P [1,1,0,0,0,0|1,0,1]=4 1432 B8R1.7 [O-][N+](=O)c1cnc[nH]1 1P0030A4 [1,1,0,0,0,0|2,0,0]=4 1433 B8R1.11 BrCc1cnnn1C 1P028SZ4 [1,1,0,0,0,0|2,0,0]=4 1434 B8R1.11 CCc1[nH]nnc1N 1P01C64L [1,1,0,0,0,0|1,0,0]=3 1435 B8R1.11 CCc1c(N)cn[nH]1 1P01EIID [1,1,0,0,0,0|2,0,0]=4 1436 B8R1.11 CCc1c[nH]nc1C 1P01UOKS [1,1,0,0,0,0|2,0,0]=4 1437 B8R1.11 CCc1c[nH]nc1N 1P00706L [1,1,0,0,0,0|2,0,0]=4 1438 B8R1.11 CCc1cnnn1C 1P01R4S3 [1,1,0,0,0,0|1,0,0]=3 1439 B8R1.11 CCc1cnoc1N 1P01EIGD [1,1,0,0,0,0|2,0,0]=4 1440 B8R1.11 CCc1conc1N 1P01DVVE [1,1,0,0,0,0|2,0,0]=4 1441 B8R1.11 CCc1cscc1Br 1P01DX5X [1,1,0,0,0,0|2,0,0]=4 1442 B8R1.11 CCc1cscc1N 1P0284R7 [1,1,0,0,0,0|2,0,0]=4 1443 B8R1.11 CCc1ncoc1Br 1P028G5M [1,1,0,0,0,0|1,0,1]=4 1444 B8R1.11 CCc1ncsc1Br 1P00KDXM [1,1,0,0,0,0|1,0,1]=4 1445 B8R1.11 CCc1ncsc1N 1P01A25Z [1,1,0,0,0,0|1,0,1]=4 1446 B8R1.11 CCc1nncn1C 1P01A9K2 [1,1,0,0,0,0|1,0,0]=3 1447 B8R1.11 CCc1nncn1N 1P028EBY [1,1,0,0,0,0|1,0,0]=3 1448 B8R1.11 CCc1nnnn1C 1P006FW8 [1,1,0,0,0,0|2,0,0]=4 1449 B8R1.11 CCc1nonc1N 1P019UTA [1,1,0,0,0,0|1,0,1]=4 1450 B8R1.11 CCc1ocnc1I 1P028UDH [1,1,0,0,0,0|1,0,0]=3 1451 B8R1.11 CCc1oncc1N 1P01B9EE [1,1,0,0,0,0|2,0,0]=4 1452 B8R1.11 CCc1scnc1C 1P00C09C [1,1,0,0,0,0|1,0,0]=3 1453 B8R1.11 CCn1[nH]nnc1=O 1P005ZMF [1,1,0,0,0,0|2,0,0]=4 1454 B8R1.11 CCn1ccnc1Br 1P00FDHC [1,1,0,0,0,0|2,0,0]=4 1455 B8R1.11 CCn1ccnc1Br 1P00J2XU [1,1,0,0,0,0|2,0,0]=4 1456 B8R1.11 CCn1ccnc1C 1P007P91 [1,1,0,0,0,0|2,0,0]=4 1457 B8R1.11 CCn1ccnc1Cl 1P00IIUO [1,1,0,0,0,0|2,0,0]=4 1458 B8R1.11 CCn1ccnc1N 1P01RIE9 [1,1,0,0,0,0|2,0,0]=4 1459 B8R1.11 CCn1ccnc1S 1P007X2J [1,1,0,0,0,0|2,0,0]=4 1460 B8R1.11 CCn1ncnc1Br 1P00F7R1 [1,1,0,0,0,0|1,0,1]=4 1461 B8R1.11 CCn1ncnc1N 1P00EUDY [1,1,0,0,0,0|1,0,1]=4 1462 B8R1.11 CCn1ncnc1N 1P00J1N9 [1,1,0,0,0,0|1,0,1]=4 1463 B8R1.11 CCn1ncnc1O 1P0288C6 [1,1,0,0,0,0|1,0,1]=4 1464 B8R1.11 CNc1nncn1C 1P01A50J [1,1,0,0,0,0|2,0,0]=4 1465 B8R1.11 CSc1nncn1N 1P00JF0L [1,1,0,0,0,0|2,0,0]=4 1466 B8R1.11 Cc1cocc1CN 1P027YZU [1,1,0,0,0,0|2,0,0]=4 1467 B8R1.11 Cc1cscc1CN 1P0091TD [1,1,0,0,0,0|2,0,0]=4 1468 B8R1.11 Cc1n[nH]cc1CN 1P00039D [1,1,0,0,0,0|2,0,0]=4 1469 B8R1.11 Cc1n[nH]cc1CN 1P019XQ2 [1,1,0,0,0,0|2,0,0]=4 1470 B8R1.11 Cc1nc[nH]c1CCl 1P00DFNK [1,1,0,0,0,0|1,0,0]=3 1471 B8R1.11 Cc1nc[nH]c1CN 1P00FS4D [1,1,0,0,0,0|0,0,0]=2 1472 B8R1.11 Cc1nc[nH]c1CO 1P002ZFD [1,1,0,0,0,0|1,0,0]=3 1473 B8R1.11 Cc1nc[nH]c1CO 1P003M7Q [1,1,0,0,0,0|1,0,0]=3 1474 B8R1.11 Cc1ncoc1CCl 1P00DLW6 [1,1,0,0,0,0|2,0,0]=4 1475 B8R1.11 Cc1ncoc1CCl 1P021N13 [1,1,0,0,0,0|2,0,0]=4 1476 B8R1.11 Cc1ncoc1CN 1P01AM79 [1,1,0,0,0,0|1,0,0]=3 1477 B8R1.11 Cc1ncoc1CN 1P01EIJH [1,1,0,0,0,0|1,0,0]=3 1478 B8R1.11 Cc1ncoc1CO 1P003M63 [1,1,0,0,0,0|2,0,0]=4 1479 B8R1.11 Cc1ncsc1CBr 1P00J3DE [1,1,0,0,0,0|2,0,0]=4 1480 B8R1.11 Cc1ncsc1CCl 1P000UJQ [1,1,0,0,0,0|2,0,0]=4 1481 B8R1.11 Cc1ncsc1CN 1P00G55H [1,1,0,0,0,0|1,0,0]=3 1482 B8R1.11 Cc1ncsc1CO 1P002BFI [1,1,0,0,0,0|2,0,0]=4 1483 B8R1.11 Cc1nocc1CN 1P0013IW [1,1,0,0,0,0|2,0,0]=4 1484 B8R1.11 Cc1nocc1CN 1P001BI9 [1,1,0,0,0,0|2,0,0]=4 1485 B8R1.11 Cc1nonc1CN 1P000HSB [1,1,0,0,0,0|1,0,1]=4 1486 B8R1.11 Cc1nonc1CN 1P007HU1 [1,1,0,0,0,0|1,0,1]=4 1487 B8R1.11 Cc1occc1CN 1P00C939 [1,1,0,0,0,0|2,0,0]=4 1488 B8R1.11 Cc1occc1CN 1P019XAT [1,1,0,0,0,0|2,0,0]=4 1489 B8R1.11 Cc1oncc1CN 1P001BIA [1,1,0,0,0,0|2,0,0]=4 1490 B8R1.11 Cc1oncc1CN 1P01DI32 [1,1,0,0,0,0|2,0,0]=4 1491 B8R1.11 Cc1sccc1CN 1P01FJXJ [1,1,0,0,0,0|2,0,0]=4 1492 B8R1.11 Cc1scnc1CN 1P028ZJJ [1,1,0,0,0,0|1,0,1]=4 1493 B8R1.11 ClCc1cnnn1C 1P01BCLU [1,1,0,0,0,0|2,0,0]=4 1494 B8R1.11 Cn1cncc1C#C 1P005QED [1,1,0,0,0,0|0,0,2]=4 1495 B8R1.11 Cn1cncc1C#N 1P00FAET [1,1,0,0,0,0|0,0,2]=4 1496 B8R1.11 Cn1cncc1C=O 1P00772I [1,1,0,0,0,0|1,0,1]=4 1497 B8R1.11 Cn1cncc1CBr 1P01FT49 [1,1,0,0,0,0|1,0,0]=3 1498 B8R1.11 Cn1cncc1CCl 1P0063OI [1,1,0,0,0,0|1,0,0]=3 1499 B8R1.11 Cn1cncc1CCl 1P00IGR0 [1,1,0,0,0,0|1,0,0]=3 1500 B8R1.11 Cn1cncc1CN 1P00D8NH [1,1,0,0,0,0|0,0,0]=2 1501 B8R1.11 Cn1cncc1CO 1P0077J0 [1,1,0,0,0,0|1,0,0]=3 1502 B8R1.11 Cn1cnnc1CBr 1P00HWO7 [1,1,0,0,0,0|2,0,0]=4 1503 B8R1.11 Cn1cnnc1CCl 1P00J369 [1,1,0,0,0,0|2,0,0]=4 1504 B8R1.11 Cn1cnnc1CN 1P001DZQ [1,1,0,0,0,0|1,0,0]=3 1505 B8R1.11 Cn1cnnc1CO 1P00EIT9 [1,1,0,0,0,0|2,0,0]=4 1506 B8R1.11 Cn1cnnc1NN 1P019MVN [1,1,0,0,0,0|2,0,0]=4 1507 B8R1.11 Cn1nccc1CN 1P003MNB [1,1,0,0,0,0|2,0,0]=4 1508 B8R1.11 Cn1nccc1CN 1P0093F9 [1,1,0,0,0,0|2,0,0]=4 1509 B8R1.11 Cn1ncnc1CN 1P002OOE [1,1,0,0,0,0|1,0,1]=4 1510 B8R1.11 Cn1ncnc1CN 1P01A4FS [1,1,0,0,0,0|1,0,1]=4 1511 B8R1.11 NCc1c(Br)cn[nH]1 1P0292UG [1,1,0,0,0,0|2,0,0]=4 1512 B8R1.11 NCc1c[nH]nc1C 1P01A7EA [1,1,0,0,0,0|2,0,0]=4 1513 B8R1.11 NCc1cccn1C 1P00FBQ5 [1,1,0,0,0,0|1,0,0]=3 1514 B8R1.11 NCc1cccn1C 1P01DL4E [1,1,0,0,0,0|1,0,0]=3 1515 B8R1.11 NCc1ccnn1C 1P0091AA [1,1,0,0,0,0|2,0,0]=4 1516 B8R1.11 NCc1ccsc1Br 1P001Q2F [1,1,0,0,0,0|2,0,0]=4 1517 B8R1.11 NCc1ccsc1Cl 1P028ZZB [1,1,0,0,0,0|2,0,0]=4 1518 B8R1.11 NCc1ccsc1I 1P028B92 [1,1,0,0,0,0|2,0,0]=4 1519 B8R1.11 NCc1cncn1C 1P0013QI [1,1,0,0,0,0|0,0,0]=2 1520 B8R1.11 NCc1cnnn1C 1P01BBZ8 [1,1,0,0,0,0|1,0,0]=3 1521 B8R1.11 NCc1cnnn1C 1P01BBZ9 [1,1,0,0,0,0|1,0,0]=3 1522 B8R1.11 NCc1conc1Br 1P0281MB [1,1,0,0,0,0|2,0,0]=4 1523 B8R1.11 NCc1cscc1Br 1P001NHI [1,1,0,0,0,0|2,0,0]=4 1524 B8R1.11 NCc1cscc1I 1P028M4W [1,1,0,0,0,0|2,0,0]=4 1525 B8R1.11 NCc1csnc1C 1P027W0J [1,1,0,0,0,0|2,0,0]=4 1526 B8R1.11 NCc1nc[nH]c1C 1P019TWY [1,1,0,0,0,0|0,0,2]=4 1527 B8R1.11 NCc1nccn1C 1P000MAC [1,1,0,0,0,0|2,0,0]=4 1528 B8R1.11 NCc1nccn1C 1P007XU1 [1,1,0,0,0,0|2,0,0]=4 1529 B8R1.11 NCc1nccn1C 1P00DIDN [1,1,0,0,0,0|2,0,0]=4 1530 B8R1.11 NCc1nnnn1C 1P01A5KF [1,1,0,0,0,0|2,0,0]=4 1531 B8R1.11 NCc1nnnn1C 1P01AGEL [1,1,0,0,0,0|2,0,0]=4 1532 B8R1.11 NCc1occc1C 1P00CM1P [1,1,0,0,0,0|2,0,0]=4 1533 B8R1.11 NCc1sccc1Br 1P0055YI [1,1,0,0,0,0|2,0,0]=4 1534 B8R1.11 NCc1sccc1C 1P003C9G [1,1,0,0,0,0|2,0,0]=4 1535 B8R1.11 NCc1sccc1C 1P00HBEG [1,1,0,0,0,0|2,0,0]=4 1536 B8R1.11 NCc1sccc1Cl 1P00BK1B [1,1,0,0,0,0|2,0,0]=4 1537 B8R1.11 NCc1sccc1Cl 1P00ILE2 [1,1,0,0,0,0|2,0,0]=4 1538 B8R1.11 NCc1sccc1I 1P028CQW [1,1,0,0,0,0|2,0,0]=4 1539 B8R1.11 NCc1sncc1Br 1P01C71U [1,1,0,0,0,0|2,0,0]=4 1540 B8R1.11 NCc1snnc1C 1P0054CL [1,1,0,0,0,0|2,0,0]=4 1541 B8R1.11 NNc1cnnn1C 1P01AMQR [1,1,0,0,0,0|2,0,0]=4 1542 B8R1.11 OCc1cnnn1C 1P0055OK [1,1,0,0,0,0|2,0,0]=4 1543 B8R1.11 OCc1scnc1Br 1P002SVS [1,1,0,0,0,0|2,0,0]=4 1544 B8R1.11 OCc1scnc1Cl 1P0008BK [1,1,0,0,0,0|2,0,0]=4 1545 B8R1.11 [O-]Cc1cccn1C 1P00DAW6 [1,1,0,0,0,0|2,0,0]=4 1546 B10R1.1 BrCCc1ccc(nc1)C 1P028KLW [0,1,0,0,0,1|2,0,0]=4 1547 B10R1.1 BrCCc1ccc(nc1)Cl 1P01B9L7 [0,1,0,0,0,1|2,0,0]=4 1548 B10R1.1 CCCc1ccc(nc1)Br 1P021X59 [0,1,0,0,0,1|2,0,0]=4 1549 B10R1.1 CCCc1cnc(nc1)Cl 1P003HGE [0,1,0,0,0,1|1,0,1]=4 1550 B10R1.1 CCOc1cnc(=N)[nH]c1 1P00C9CJ [0,1,0,0,0,1|2,0,0]=4 1551 B10R1.1 Cc1cnc(cn1)CCN 1P01C2R8 [0,1,0,0,0,1|0,0,1]=3 1552 B10R1.1 Cc1cnc(cn1)CCO 1P01A6ZU [0,1,0,0,0,1|1,0,1]=4 1553 B10R1.1 ClCCc1ccc(nc1)Cl 1P01DVHP [0,1,0,0,0,1|2,0,0]=4 1554 B10R1.1 NCCc1ccc(=O)[nH]c1 1P01C526 [0,1,0,0,0,1|1,0,0]=3 1555 B10R1.1 NCCc1ccc(cc1)Br 1P0033BE [0,1,0,0,0,1|2,0,0]=4 1556 B10R1.1 NCCc1ccc(cc1)Br 1P00C08F [0,1,0,0,0,1|2,0,0]=4 1557 B10R1.1 NCCc1ccc(cc1)C 1P003M91 [0,1,0,0,0,1|2,0,0]=4 1558 B10R1.1 NCCc1ccc(cc1)C 1P00CLFF [0,1,0,0,0,1|2,0,0]=4 1559 B10R1.1 NCCc1ccc(cc1)Cl 1P001OVU [0,1,0,0,0,1|2,0,0]=4 1560 B10R1.1 NCCc1ccc(cc1)Cl 1P002QCJ [0,1,0,0,0,1|2,0,0]=4 1561 B10R1.1 NCCc1ccc(cc1)F 1P001QL6 [0,1,0,0,0,1|2,0,0]=4 1562 B10R1.1 NCCc1ccc(cc1)F 1P003LWH [0,1,0,0,0,1|2,0,0]=4 1563 B10R1.1 NCCc1ccc(cc1)F 1P01DFUD [0,1,0,0,0,1|2,0,0]=4 1564 B10R1.1 NCCc1ccc(cc1)I 1P005JNU [0,1,0,0,0,1|2,0,0]=4 1565 B10R1.1 NCCc1ccc(cc1)I 1P01B5P8 [0,1,0,0,0,1|2,0,0]=4 1566 B10R1.1 NCCc1ccc(cc1)N 1P003FBD [0,1,0,0,0,1|2,0,0]=4 1567 B10R1.1 NCCc1ccc(cc1)N 1P0070N1 [0,1,0,0,0,1|2,0,0]=4 1568 B10R1.1 NCCc1ccc(cc1)O 1P003FD7 [0,1,0,0,0,1|2,0,0]=4 1569 B10R1.1 NCCc1ccc(cc1)O 1P00IB3O [0,1,0,0,0,1|2,0,0]=4 1570 B10R1.1 NCCc1ccc(cn1)Br 1P01XCAI [0,1,0,0,0,1|1,0,1]=4 1571 B10R1.1 NCCc1ccc(cn1)C 1P00G5VS [0,1,0,0,0,1|1,0,1]=4 1572 B10R1.1 NCCc1ccc(cn1)F 1P01B8QR [0,1,0,0,0,1|1,0,1]=4 1573 B10R1.1 NCCc1ccc(cn1)O 1P01C4CQ [0,1,0,0,0,1|1,0,1]=4 1574 B10R1.1 NCCc1ccc(nc1)C 1P006JIH [0,1,0,0,0,1|1,0,0]=3 1575 B10R1.1 NCCc1ccc(nc1)Cl 1P00DL91 [0,1,0,0,0,1|1,0,0]=3 1576 B10R1.1 NCCc1ccc(nc1)Cl 1P01P153 [0,1,0,0,0,1|1,0,0]=3 1577 B10R1.1 NCCc1ccc(nc1)F 1P027VHR [0,1,0,0,0,1|1,0,0]=3 1578 B10R1.1 NCCc1cnc(nc1)O 1P01BRYZ [0,1,0,0,0,1|0,0,1]=3 1579 B10R1.1 NCCc1ncc(cn1)Br 1P028FZK [0,1,0,0,0,1|1,0,1]=4 1580 B10R1.1 NCCc1ncc(cn1)C 1P00I08Q [0,1,0,0,0,1|1,0,1]=4 1581 B10R1.1 NCCc1ncc(cn1)C 1P01A3HN [0,1,0,0,0,1|1,0,1]=4 1582 B10R1.1 NCCc1ncc(cn1)C 1P027YWY [0,1,0,0,0,1|1,0,1]=4 1583 B10R1.1 NCCc1ncc(cn1)F 1P01FJVA [0,1,0,0,0,1|1,0,1]=4 1584 B10R1.1 NNCc1ccc(nc1)Cl 1P000KW7 [0,1,0,0,0,1|2,0,0]=4 1585 B10R1.1 NNCc1ccc(nc1)Cl 1P008UTN [0,1,0,0,0,1|2,0,0]=4 1586 B10R1.1 OCCc1ccc(nc1)Br 1P01KMBY [0,1,0,0,0,1|2,0,0]=4 1587 B10R1.1 OCCc1ccc(nc1)C 1P0001NN [0,1,0,0,0,1|2,0,0]=4 1588 B10R1.1 OCCc1ccc(nc1)Cl 1P0081YG [0,1,0,0,0,1|2,0,0]=4 1589 B10R1.1 OCCc1ccc(nc1)F 1P01DVCR [0,1,0,0,0,1|2,0,0]=4 1590 B10R1.1 OCCc1ccc(nc1)N 1P01BDRP [0,1,0,0,0,1|2,0,0]=4 1591 B10R1.1 OCCc1cnc(=O)[nH]c1 1P01BBWS [0,1,0,0,0,1|1,0,0]=3 1592 B10R1.1 OCCc1cnc(nc1)O 1P01BBE8 [0,1,0,0,0,1|1,0,1]=4 1593 B10R1.1 OCCc1cnc(nc1)S 1P01BBE9 [0,1,0,0,0,1|1,0,1]=4 1594 B10R1.4 CCCc1nccnc1Cl 1P01B7EN [0,1,0,0,0,1|1,0,1]=4 1595 B10R1.4 CCCc1nccnc1N 1P01B74B [0,1,0,0,0,1|1,0,1]=4 1596 B10R1.4 Cc1ccncc1CCN 1P01A10B [0,1,0,0,0,1|1,0,0]=3 1597 B10R1.4 Cc1ncccc1CCN 1P00E8BN [0,1,0,0,0,1|1,0,0]=3 1598 B10R1.4 Cc1nccnc1CCN 1P01AN51 [0,1,0,0,0,1|0,0,1]=3 1599 B10R1.4 Cc1nccnc1CCO 1P00E9U6 [0,1,0,0,0,1|1,0,1]=4 1600 B10R1.4 ClCCc1ccncc1Br 1P028UZ5 [0,1,0,0,0,1|2,0,0]=4 1601 B10R1.4 ClCCc1cncnc1Cl 1P01C5DO [0,1,0,0,0,1|1,0,1]=4 1602 B10R1.4 Clc1ncccc1CCCl 1P01EMD0 [0,1,0,0,0,1|2,0,0]=4 1603 B10R1.4 Fc1ncccc1CCCl 1P028QVG [0,1,0,0,0,1|2,0,0]=4 1604 B10R1.4 NCCc1ccccc1Br 1P0033NE [0,1,0,0,0,1|2,0,0]=4 1605 B10R1.4 NCCc1ccccc1Br 1P009XKK [0,1,0,0,0,1|2,0,0]=4 1606 B10R1.4 NCCc1ccccc1C 1P00IAEQ [0,1,0,0,0,1|2,0,0]=4 1607 B10R1.4 NCCc1ccccc1Cl 1P003F85 [0,1,0,0,0,1|2,0,0]=4 1608 B10R1.4 NCCc1ccccc1F 1P00DERZ [0,1,0,0,0,1|2,0,0]=4 1609 B10R1.4 NCCc1ccccc1I 1P005C61 [0,1,0,0,0,1|2,0,0]=4 1610 B10R1.4 NCCc1ccccc1N 1P000HRK [0,1,0,0,0,1|2,0,0]=4 1611 B10R1.4 NCCc1ccccc1N 1P00DED7 [0,1,0,0,0,1|2,0,0]=4 1612 B10R1.4 NCCc1ccccc1O 1P0029N4 [0,1,0,0,0,1|2,0,0]=4 1613 B10R1.4 NCCc1ccccc1O 1P019VVD [0,1,0,0,0,1|2,0,0]=4 1614 B10R1.4 NCCc1cccnc1Cl 1P028PPO [0,1,0,0,0,1|1,0,0]=3 1615 B10R1.4 NCCc1cccnc1F 1P028R5T [0,1,0,0,0,1|1,0,0]=3 1616 B10R1.4 NCCc1cccnc1O 1P027WOI [0,1,0,0,0,1|1,0,0]=3 1617 B10R1.4 NCCc1cccnc1O 1P028FLD [0,1,0,0,0,1|1,0,0]=3 1618 B10R1.4 NCCc1ccncc1Br 1P01ELK2 [0,1,0,0,0,1|1,0,0]=3 1619 B10R1.4 NCCc1ccncc1C 1P01A31B [0,1,0,0,0,1|1,0,0]=3 1620 B10R1.4 NCCc1ccncc1Cl 1P027XZC [0,1,0,0,0,1|1,0,0]=3 1621 B10R1.4 NCCc1ncccc1Br 1P006RZ7 [0,1,0,0,0,1|1,0,1]=4 1622 B10R1.4 NCCc1ncccc1C 1P004NE2 [0,1,0,0,0,1|1,0,1]=4 1623 B10R1.4 NCCc1ncccc1C 1P01C4WV [0,1,0,0,0,1|1,0,1]=4 1624 B10R1.4 NCCc1ncccc1F 1P00AO5H [0,1,0,0,0,1|1,0,1]=4 1625 B10R1.4 NCCn1cccnc1=O 1P01FJVP [0,1,0,0,0,1|2,0,0]=4 1626 B10R1.4 NCCn1cnccc1=O 1P01C4PJ [0,1,0,0,0,1|2,0,0]=4 1627 B10R1.4 Nc1ncccc1CCN 1P01EKM6 [0,1,0,0,0,1|1,0,0]=3 1628 B10R1.4 OCCc1cccnc1Cl 1P01DVQ8 [0,1,0,0,0,1|2,0,0]=4 1629 B10R1.4 OCCc1cccnc1F 1P00B8Q6 [0,1,0,0,0,1|2,0,0]=4 1630 B10R1.4 OCCc1ccncc1Br 1P01DZQ5 [0,1,0,0,0,1|2,0,0]=4 1631 B10R1.4 OCCc1ccncc1C 1P01C3LX [0,1,0,0,0,1|2,0,0]=4 1632 B10R1.10 CCCc1cc(Cl)ncn1 1P019XCM [0,1,0,0,0,1|1,0,1]=4 1633 B10R1.10 CCCc1cn[nH]c(=O)c1 1P0284RS [0,1,0,0,0,1|2,0,0]=4 1634 B10R1.10 CCCc1cncc(c1)O 1P01B7H3 [0,1,0,0,0,1|2,0,0]=4 1635 B10R1.10 CCCc1cnnc(c1)Cl 1P0285RA [0,1,0,0,0,1|2,0,0]=4 1636 B10R1.10 CCCc1cnnc(c1)N 1P028V6I [0,1,0,0,0,1|2,0,0]=4 1637 B10R1.10 Cc1cccc(n1)CCN 1P003FF8 [0,1,0,0,0,1|1,0,1]=4 1638 B10R1.10 Cc1cncc(n1)CCO 1P01C499 [0,1,0,0,0,1|1,0,1]=4 1639 B10R1.10 ClCCc1cncc(c1)F 1P01EM8Z [0,1,0,0,0,1|2,0,0]=4 1640 B10R1.10 NCCc1cc(Br)ncn1 1P028S37 [0,1,0,0,0,1|0,0,1]=3 1641 B10R1.10 NCCc1cc(O)ncn1 1P0280WI [0,1,0,0,0,1|0,0,1]=3 1642 B10R1.10 NCCc1cccc(=O)[nH]1 1P00J3AI [0,1,0,0,0,1|1,0,0]=3 1643 B10R1.10 NCCc1cccc(c1)Br 1P0037LP [0,1,0,0,0,1|2,0,0]=4 1644 B10R1.10 NCCc1cccc(c1)C 1P00DEU2 [0,1,0,0,0,1|2,0,0]=4 1645 B10R1.10 NCCc1cccc(c1)C 1P00DGLD [0,1,0,0,0,1|2,0,0]=4 1646 B10R1.10 NCCc1cccc(c1)Cl 1P003JRS [0,1,0,0,0,1|2,0,0]=4 1647 B10R1.10 NCCc1cccc(c1)F 1P003JY5 [0,1,0,0,0,1|2,0,0]=4 1648 B10R1.10 NCCc1cccc(c1)I 1P01FXNY [0,1,0,0,0,1|2,0,0]=4 1649 B10R1.10 NCCc1cccc(c1)I 1P027YWC [0,1,0,0,0,1|2,0,0]=4 1650 B10R1.10 NCCc1cccc(c1)N 1P004DKM [0,1,0,0,0,1|2,0,0]=4 1651 B10R1.10 NCCc1cccc(c1)N 1P00G36E [0,1,0,0,0,1|2,0,0]=4 1652 B10R1.10 NCCc1cccc(c1)O 1P003K1G [0,1,0,0,0,1|2,0,0]=4 1653 B10R1.10 NCCc1cccc(c1)O 1P00C9GZ [0,1,0,0,0,1|2,0,0]=4 1654 B10R1.10 NCCc1cccc(c1)O 1P00EA8W [0,1,0,0,0,1|2,0,0]=4 1655 B10R1.10 NCCc1cccc(n1)F 1P01A0E1 [0,1,0,0,0,1|1,0,1]=4 1656 B10R1.10 NCCc1ccnc(c1)C 1P00F9NH [0,1,0,0,0,1|1,0,0]=3 1657 B10R1.10 NCCc1ccnc(c1)C 1P01EIKC [0,1,0,0,0,1|1,0,0]=3 1658 B10R1.10 NCCc1ccnc(c1)Cl 1P028Z1X [0,1,0,0,0,1|1,0,0]=3 1659 B10R1.10 NCCc1ccnc(c1)F 1P023ZSI [0,1,0,0,0,1|1,0,0]=3 1660 B10R1.10 NCCc1ccnc(c1)N 1P01B38D [0,1,0,0,0,1|1,0,0]=3 1661 B10R1.10 NCCc1ccnc(c1)O 1P01BY6E [0,1,0,0,0,1|1,0,0]=3 1662 B10R1.10 NCCc1ccnc(n1)C 1P028RYD [0,1,0,0,0,1|0,0,1]=3 1663 B10R1.10 NCCc1ccnc(n1)N 1P027WCC [0,1,0,0,0,1|0,0,1]=3 1664 B10R1.10 NCCc1ccnc(n1)O 1P0289IN [0,1,0,0,0,1|0,0,1]=3 1665 B10R1.10 NCCc1cncc(c1)F 1P0095P2 [0,1,0,0,0,1|1,0,0]=3 1666 B10R1.10 NCCc1cncc(c1)O 1P01B87N [0,1,0,0,0,1|1,0,0]=3 1667 B10R1.10 NCCc1nccc(=O)[nH]1 1P027KCX [0,1,0,0,0,1|1,0,0]=3 1668 B10R1.10 NCCc1nccc(n1)C 1P01DXCF [0,1,0,0,0,1|1,0,1]=4 1669 B10R1.10 NCCc1ncnc(c1)O 1P0289J1 [0,1,0,0,0,1|0,0,1]=3 1670 B10R1.10 NNCc1cncc(c1)F 1P028MND [0,1,0,0,0,1|2,0,0]=4 1671 B10R1.10 Nc1cc(CCO)ncn1 1P01WK8I [0,1,0,0,0,1|1,0,1]=4 1672 B10R1.10 OCCc1ccnc(c1)Br 1P020KUY [0,1,0,0,0,1|2,0,0]=4 1673 B10R1.10 OCCc1cncc(c1)Br 1P01DZ2M [0,1,0,0,0,1|2,0,0]=4 1674 B10R1.10 OCCc1cncc(c1)F 1P01JUHV [0,1,0,0,0,1|2,0,0]=4 1675 B10R1.10 OCCc1cncc(n1)Cl 1P027UB1 [0,1,0,0,0,1|1,0,1]=4 1676 B10R1.15 CC(c1cnccn1)CN 1P018SI7 [0,1,0,0,0,1|0,0,1]=3 1677 B10R1.15 CC(c1cnccn1)CO 1P0287C3 [0,1,0,0,0,1|1,0,1]=4 1678 B10R1.15 CCC(c1cccnc1)N 1P000K5S [0,1,0,0,0,1|2,0,0]=4 1679 B10R1.15 CCC(c1cccnc1)N 1P003DEE [0,1,0,0,0,1|2,0,0]=4 1680 B10R1.15 CCC(c1ccncc1)N 1P00EEVC [0,1,0,0,0,1|2,0,0]=4 1681 B10R1.15 CCC(c1ccncc1)N 1P01JV71 [0,1,0,0,0,1|2,0,0]=4 1682 B10R1.15 CC[C@@H](c1ccncc1)N 1P00BBD4 [0,1,0,0,0,1|2,0,0]=4 1683 B10R1.15 CC[C@@H](c1ccncc1)N 1P00HVU4 [0,1,0,0,0,1|2,0,0]=4 1684 B10R1.15 CC[C@H](c1ccncc1)N 1P00HRY1 [0,1,0,0,0,1|2,0,0]=4 1685 B10R1.15 NCC(=O)c1cccnc1 1P00DFSO [0,1,0,0,0,1|1,0,1]=4 1686 B10R1.15 NCC(=O)c1ccncc1 1P00DIEI [0,1,0,0,0,1|1,0,1]=4 1687 B10R1.15 NCC(=O)c1nccnc1 1P01EI7X [0,1,0,0,0,1|0,0,2]=4 1688 B10R1.15 NCC(c1ccccc1)F 1P01ADJT [0,1,0,0,0,1|2,0,0]=4 1689 B10R1.15 NCC(c1ccccc1)F 1P01AFLW [0,1,0,0,0,1|2,0,0]=4 1690 B10R1.15 NCC(c1ccccc1)N 1P001X54 [0,1,0,0,0,1|2,0,0]=4 1691 B10R1.15 NCC(c1ccccc1)N 1P00EC97 [0,1,0,0,0,1|2,0,0]=4 1692 B10R1.15 NCC(c1ccccc1)O 1P003GT0 [0,1,0,0,0,1|2,0,0]=4 1693 B10R1.15 NCC(c1ccccn1)O 1P00GSPR [0,1,0,0,0,1|1,0,1]=4 1694 B10R1.15 NCC(c1ccccn1)O 1P00H3HR [0,1,0,0,0,1|1,0,1]=4 1695 B10R1.15 NCC(c1ccccn1)O 1P019LWP [0,1,0,0,0,1|1,0,1]=4 1696 B10R1.15 NCC(c1cccnc1)O 1P006JYO [0,1,0,0,0,1|1,0,0]=3 1697 B10R1.15 NCC(c1cccnc1)O 1P009SDI [0,1,0,0,0,1|1,0,0]=3 1698 B10R1.15 NCC(c1cccnc1)O 1P00J1VN [0,1,0,0,0,1|1,0,0]=3 1699 B10R1.15 NCC(c1ccncc1)C 1P019ULY [0,1,0,0,0,1|1,0,0]=3 1700 B10R1.15 NCC(c1ccncc1)C 1P028YSF [0,1,0,0,0,1|1,0,0]=3 1701 B10R1.15 NCC(c1ccncc1)O 1P00IGKE [0,1,0,0,0,1|1,0,0]=3 1702 B10R1.15 NC[C@@H](c1ccccc1)C 1P003CRB [0,1,0,0,0,1|2,0,0]=4 1703 B10R1.15 NC[C@@H](c1ccccc1)C 1P007LOY [0,1,0,0,0,1|2,0,0]=4 1704 B10R1.15 NC[C@@H](c1ccccc1)O 1P003BFB [0,1,0,0,0,1|2,0,0]=4 1705 B10R1.15 NC[C@@H](c1ccccc1)O 1P00AQ4Y [0,1,0,0,0,1|2,0,0]=4 1706 B10R1.15 NC[C@@H](c1cccnc1)O 1P007FVE [0,1,0,0,0,1|1,0,0]=3 1707 B10R1.15 NC[C@H](c1ccccc1)C 1P0021SD [0,1,0,0,0,1|2,0,0]=4 1708 B10R1.15 NC[C@H](c1ccccc1)F 1P01ALUF [0,1,0,0,0,1|2,0,0]=4 1709 B10R1.15 NC[C@H](c1ccccc1)O 1P003CUG [0,1,0,0,0,1|2,0,0]=4 1710 B10R1.15 NC[C@H](c1cccnc1)O 1P001H7V [0,1,0,0,0,1|1,0,0]=3 1711 B10R1.15 NNC(c1ccncc1)C 1P01C4JV [0,1,0,0,0,1|2,0,0]=4 1712 B10R1.15 NO[C@@H](c1ccncc1)C 1P028PT8 [0,1,0,0,0,1|2,0,0]=4 1713 B10R1.15 NO[C@H](c1ccncc1)C 1P028JYV [0,1,0,0,0,1|2,0,0]=4 1714 B10R1.15 OCC(c1cccnc1)N 1P0092VK [0,1,0,0,0,1|2,0,0]=4 1715 B10R1.15 OCC(c1ccncc1)N 1P00171M [0,1,0,0,0,1|2,0,0]=4 1716 B10R1.15 OCC(c1ccncc1)O 1P01C10Y [0,1,0,0,0,1|2,0,0]=4 1717 B10R1.15 OCC(c1cncnc1)O 1P028XUK [0,1,0,0,0,1|1,0,1]=4 1718 B10R1.15 OC[C@H](c1cccnc1)N 1P01X9M9 [0,1,0,0,0,1|2,0,0]=4 1719 B10R1.15 OC[C@H](c1ccncc1)N 1P01KKX4 [0,1,0,0,0,1|2,0,0]=4 1720 B10R1.17 BrCCCc1cccnc1 1P00C9QQ [0,1,0,0,0,1|2,0,0]=4 1721 B10R1.17 BrCCCc1ccncc1 1P01A6KW [0,1,0,0,0,1|2,0,0]=4 1722 B10R1.17 BrCCOc1cccnc1 1P01AG87 [0,1,0,0,0,1|2,0,0]=4 1723 B10R1.17 C=CCCc1cccnc1 1P00663U [0,1,0,0,0,1|2,0,0]=4 1724 B10R1.17 CCCCc1cccnc1 1P00343V [0,1,0,0,0,1|2,0,0]=4 1725 B10R1.17 CCCCc1ccncc1 1P00I9ZL [0,1,0,0,0,1|2,0,0]=4 1726 B10R1.17 CCCNc1cccnc1 1P019YSP [0,1,0,0,0,1|2,0,0]=4 1727 B10R1.17 CCCOc1cnccn1 1P01BJJ1 [0,1,0,0,0,1|1,0,1]=4 1728 B10R1.17 CCNCc1cccnc1 1P003TH6 [0,1,0,0,0,1|2,0,0]=4 1729 B10R1.17 CCNCc1ccncc1 1P003KOX [0,1,0,0,0,1|2,0,0]=4 1730 B10R1.17 CNCCc1ccccc1 1P003TP4 [0,1,0,0,0,1|2,0,0]=4 1731 B10R1.17 CNCCc1ccccc1 1P00CJS7 [0,1,0,0,0,1|2,0,0]=4 1732 B10R1.17 CNCCc1ccccn1 1P003OMV [0,1,0,0,0,1|1,0,1]=4 1733 B10R1.17 CNCCc1ccccn1 1P003TMX [0,1,0,0,0,1|1,0,1]=4 1734 B10R1.17 CNCCc1ccccn1 1P00IAF0 [0,1,0,0,0,1|1,0,1]=4 1735 B10R1.17 CNCCc1cccnc1 1P00025V [0,1,0,0,0,1|1,0,0]=3 1736 B10R1.17 CNCCc1cccnc1 1P0039D0 [0,1,0,0,0,1|1,0,0]=3 1737 B10R1.17 CNCCc1ccncc1 1P0004J6 [0,1,0,0,0,1|1,0,0]=3 1738 B10R1.17 CNCCc1ccncc1 1P00D8ZU [0,1,0,0,0,1|1,0,0]=3 1739 B10R1.17 CNCCc1cnccn1 1P01A4OO [0,1,0,0,0,1|0,0,1]=3 1740 B10R1.17 CNCCc1ncccn1 1P01FKV1 [0,1,0,0,0,1|1,0,1]=4 1741 B10R1.17 CNNCc1cccnc1 1P00IGF8 [0,1,0,0,0,1|2,0,0]=4 1742 B10R1.17 ClCCCc1cccnc1 1P002L24 [0,1,0,0,0,1|2,0,0]=4 1743 B10R1.17 ClCCCc1ccncc1 1P00AKXB [0,1,0,0,0,1|2,0,0]=4 1744 B10R1.17 N#CCCc1ccncc1 1P004YZ0 [0,1,0,0,0,1|1,0,1]=4 1745 B10R1.17 NCC#Cc1cccnc1 1P00582X [0,1,0,0,0,1|1,0,1]=4 1746 B10R1.17 NCC#Cc1cccnc1 1P01EN8Z [0,1,0,0,0,1|1,0,1]=4 1747 B10R1.17 NCC=Cc1cccnc1 1P01BC7Z [0,1,0,0,0,1|1,0,1]=4 1748 B10R1.17 NCCCc1ccccc1 1P0029L7 [0,1,0,0,0,1|2,0,0]=4 1749 B10R1.17 NCCCc1ccccn1 1P001OQL [0,1,0,0,0,1|1,0,1]=4 1750 B10R1.17 NCCCc1ccccn1 1P01DW4S [0,1,0,0,0,1|1,0,1]=4 1751 B10R1.17 NCCCc1cccnc1 1P003IJD [0,1,0,0,0,1|1,0,0]=3 1752 B10R1.17 NCCCc1cccnc1 1P00G3KB [0,1,0,0,0,1|1,0,0]=3 1753 B10R1.17 NCCCc1cccnc1 1P00GW1W [0,1,0,0,0,1|1,0,0]=3 1754 B10R1.17 NCCCc1ccncc1 1P0030W7 [0,1,0,0,0,1|1,0,0]=3 1755 B10R1.17 NCCCc1ccncn1 1P028A28 [0,1,0,0,0,1|0,0,1]=3 1756 B10R1.17 NCCCc1ccnnc1 1P01DZHV [0,1,0,0,0,1|1,0,0]=3 1757 B10R1.17 NCCCc1cnccn1 1P01A20P [0,1,0,0,0,1|0,0,1]=3 1758 B10R1.17 NCCCc1cncnc1 1P0083W7 [0,1,0,0,0,1|0,0,1]=3 1759 B10R1.17 NCCCc1cncnc1 1P01C52M [0,1,0,0,0,1|0,0,1]=3 1760 B10R1.17 NCCCc1nccnc1 1P028JZE [0,1,0,0,0,1|0,0,1]=3 1761 B10R1.17 NCCNc1ccccc1 1P001X6L [0,1,0,0,0,1|2,0,0]=4 1762 B10R1.17 NCCNc1ccccn1 1P005U60 [0,1,0,0,0,1|1,0,1]=4 1763 B10R1.17 NCCNc1cccnc1 1P00EEGU [0,1,0,0,0,1|1,0,0]=3 1764 B10R1.17 NCCNc1cccnn1 1P01AAKT [0,1,0,0,0,1|1,0,1]=4 1765 B10R1.17 NCCNc1cccnn1 1P01EKLI [0,1,0,0,0,1|1,0,1]=4 1766 B10R1.17 NCCNc1ccncc1 1P00ECDE [0,1,0,0,0,1|1,0,0]=3 1767 B10R1.17 NCCNc1cnccn1 1P019MGE [0,1,0,0,0,1|0,0,1]=3 1768 B10R1.17 NCCNc1ncccn1 1P00141N [0,1,0,0,0,1|1,0,1]=4 1769 B10R1.17 NCCNc1ncccn1 1P01B2V0 [0,1,0,0,0,1|1,0,1]=4 1770 B10R1.17 NCCOc1ccccc1 1P0021OC [0,1,0,0,0,1|2,0,0]=4 1771 B10R1.17 NCCOc1ccccc1 1P0027L1 [0,1,0,0,0,1|2,0,0]=4 1772 B10R1.17 NCCOc1ccccn1 1P002YW0 [0,1,0,0,0,1|1,0,1]=4 1773 B10R1.17 NCCOc1ccccn1 1P027ZNS [0,1,0,0,0,1|1,0,1]=4 1774 B10R1.17 NCCOc1cccnc1 1P0032JP [0,1,0,0,0,1|1,0,0]=3 1775 B10R1.17 NCCOc1ccncc1 1P00DK84 [0,1,0,0,0,1|1,0,0]=3 1776 B10R1.17 NCCOc1ncccn1 1P024VFV [0,1,0,0,0,1|1,0,1]=4 1777 B10R1.17 NCCSc1ccccc1 1P002DUS [0,1,0,0,0,1|2,0,0]=4 1778 B10R1.17 NCCSc1ccccc1 1P00J3FE [0,1,0,0,0,1|2,0,0]=4 1779 B10R1.17 NCCSc1ccccn1 1P00J1LL [0,1,0,0,0,1|1,0,1]=4 1780 B10R1.17 NCCSc1ncccn1 1P028BWD [0,1,0,0,0,1|1,0,1]=4 1781 B10R1.17 NC\C=C\c1cncnc1 1P028001 [0,1,0,0,0,1|0,0,2]=4 1782 B10R1.17 NNCCc1ccccc1 1P001OVR [0,1,0,0,0,1|2,0,0]=4 1783 B10R1.17 NNCCc1ccccc1 1P00B63Y [0,1,0,0,0,1|2,0,0]=4 1784 B10R1.17 NNCCc1ccccc1 1P00DB0J [0,1,0,0,0,1|2,0,0]=4 1785 B10R1.17 NNCCc1ccccc1 1P00I9LM [0,1,0,0,0,1|2,0,0]=4 1786 B10R1.17 NNCCc1ccccn1 1P006VW3 [0,1,0,0,0,1|1,0,1]=4 1787 B10R1.17 NNCCc1ccccn1 1P01A12H [0,1,0,0,0,1|1,0,1]=4 1788 B10R1.17 NNCCc1ccncc1 1P01BA79 [0,1,0,0,0,1|1,0,0]=3 1789 B10R1.17 NOCCc1ccccc1 1P0071ZN [0,1,0,0,0,1|2,0,0]=4 1790 B10R1.17 O=CCCc1cccnc1 1P00228Y [0,1,0,0,0,1|2,0,0]=4 1791 B10R1.17 O=CCCc1ccncc1 1P0075XB [0,1,0,0,0,1|2,0,0]=4 1792 B10R1.17 OCCCc1cccnc1 1P002W8E [0,1,0,0,0,1|2,0,0]=4 1793 B10R1.17 OCCCc1ccncc1 1P002T2T [0,1,0,0,0,1|2,0,0]=4 1794 B10R1.17 OCCCc1ccncn1 1P007B3A [0,1,0,0,0,1|1,0,1]=4 1795 B10R1.17 OCCNc1cccnc1 1P028RNR [0,1,0,0,0,1|2,0,0]=4 1796 B10R1.17 OCCNc1ccncc1 1P002G57 [0,1,0,0,0,1|2,0,0]=4 1797 B10R1.17 OCCNc1ccncn1 1P00AZKO [0,1,0,0,0,1|1,0,1]=4 1798 B10R1.17 OCCNc1cnccn1 1P01BUDW [0,1,0,0,0,1|1,0,1]=4 1799 B10R1.17 OCCOc1cccnc1 1P000QDL [0,1,0,0,0,1|2,0,0]=4 1800 B10R1.17 ONCCc1ccccc1 1P00CZ3B [0,1,0,0,0,1|2,0,0]=4 1801 B10R1.17 SCCCc1ccncc1 1P00CEFN [0,1,0,0,0,1|2,0,0]=4 1802 B10R1.18 CC(Cc1ccccn1)N 1P00D8U4 [0,1,0,0,0,1|1,0,1]=4 1803 B10R1.18 CC(Cc1cccnc1)C 1P001H4I [0,1,0,0,0,1|2,0,0]=4 1804 B10R1.18 CC(Cc1cccnc1)N 1P005KG1 [0,1,0,0,0,1|1,0,0]=3 1805 B10R1.18 CC(Cc1cccnc1)O 1P01A55E [0,1,0,0,0,1|2,0,0]=4 1806 B10R1.18 CC(Cc1ccncc1)Br 1P01B1MD [0,1,0,0,0,1|2,0,0]=4 1807 B10R1.18 CC(Cc1ccncc1)N 1P005PD1 [0,1,0,0,0,1|1,0,0]=3 1808 B10R1.18 CC(Cc1ccncc1)O 1P019TRA [0,1,0,0,0,1|2,0,0]=4 1809 B10R1.18 CC(Cc1cnccn1)N 1P0089WO [0,1,0,0,0,1|0,0,1]=3 1810 B10R1.18 CC(Cc1cnccn1)O 1P00JD7T [0,1,0,0,0,1|1,0,1]=4 1811 B10R1.18 NC(=N)Cc1cccnc1 1P00J2G5 [0,1,0,0,0,1|1,0,1]=4 1812 B10R1.18 NC(=N)Cc1ccncc1 1P01C5XH [0,1,0,0,0,1|1,0,1]=4 1813 B10R1.18 NC(=N)Cc1ccncc1 1P01C62X [0,1,0,0,0,1|1,0,1]=4 1814 B10R1.18 NC(=O)Cc1cccnc1 1P003FL2 [0,1,0,0,0,1|1,0,1]=4 1815 B10R1.18 NC(=O)Cc1ccncc1 1P003UJ8 [0,1,0,0,0,1|1,0,1]=4 1816 B10R1.18 NC(=O)Cc1cncnc1 1P00E15B [0,1,0,0,0,1|0,0,2]=4 1817 B10R1.18 NC(=S)Cc1cccnc1 1P00DJ97 [0,1,0,0,0,1|1,0,1]=4 1818 B10R1.14 Cc1ccc(o1)C(CN)N 1P01A3GH [0,2,0,0,0,0|2,0,0]=4 1819 B10R1.14 Cc1ccc(o1)C(CN)O 1P01AKYQ [0,2,0,0,0,0|2,0,0]=4 1820 B10R1.14 Cc1nc(on1)C(CN)O 1P028D0Z [0,2,0,0,0,0|1,0,1]=4 1821 B10R1.14 Cn1cc(nc1)C(CN)O 1P0289UR [0,2,0,0,0,0|0,0,2]=4 1822 B10R1.14 NCC(c1ccc(s1)Cl)O 1P019T2T [0,2,0,0,0,0|2,0,0]=4 1823 B10R1.14 NCC(c1ccc(s1)Cl)O 1P0285BO [0,2,0,0,0,0|2,0,0]=4 1824 B10R1.14 NCC(c1cnn(c1)C)C 1P0289Q8 [0,2,0,0,0,0|2,0,0]=4 1825 B10R1.14 NCC(c1cnn(c1)C)N 1P01A2Q1 [0,2,0,0,0,0|2,0,0]=4 1826 B10R1.14 NCC(c1cnn(c1)C)O 1P018SDB [0,2,0,0,0,0|2,0,0]=4 1827 B10R1.14 NCC(c1csc(n1)C)N 1P01A5S8 [0,2,0,0,0,0|1,0,1]=4 1828 B10R1.16 CCNCc1cnc(s1)Cl 1P008V8H [0,2,0,0,0,0|2,0,0]=4 1829 B10R1.16 CNCCc1cnn(c1)C 1P008VR0 [0,2,0,0,0,0|2,0,0]=4 1830 B10R1.16 CNCCc1cnn(c1)C 1P0287CF [0,2,0,0,0,0|2,0,0]=4 1831 B10R1.16 COCCc1cnc(s1)N 1P01FJTM [0,2,0,0,0,0|2,0,0]=4 1832 B10R1.16 Cc1cc(on1)CCCN 1P028WEJ [0,2,0,0,0,0|2,0,0]=4 1833 B10R1.16 Cc1ccc(s1)CCCN 1P00016G [0,2,0,0,0,0|2,0,0]=4 1834 B10R1.16 Cc1nc(cs1)CCCN 1P0285WD [0,2,0,0,0,0|1,0,1]=4 1835 B10R1.16 Cc1nc(on1)CCCN 1P00VUE0 [0,2,0,0,0,0|1,0,1]=4 1836 B10R1.16 Cc1nnc([nH]1)CCCCl 1P028XS6 [0,2,0,0,0,0|2,0,0]=4 1837 B10R1.16 Cc1nnc(s1)CCCN 1P01FJTV [0,2,0,0,0,0|2,0,0]=4 1838 B10R1.16 Cn1nc(cn1)CCCN 1P01AMLT [0,2,0,0,0,0|1,0,1]=4 1839 B10R1.16 NCCCc1c[nH]c(=S)[nH]1 1P028O8Z [0,2,0,0,0,0|0,0,1]=3 1840 B10R1.16 NCCCc1cc(no1)O 1P01FIBF [0,2,0,0,0,0|2,0,0]=4 1841 B10R1.16 NCCCc1ccc(s1)Cl 1P01B1O7 [0,2,0,0,0,0|2,0,0]=4 1842 B10R1.16 NCCCc1ccc(s1)Cl 1P027WSC [0,2,0,0,0,0|2,0,0]=4 1843 B10R1.16 NCCCc1cnn(c1)C 1P008VYG [0,2,0,0,0,0|2,0,0]=4 1844 B10R1.16 NCCCc1csc(n1)N 1P00J1OW [0,2,0,0,0,0|1,0,1]=4 1845 B10R1.16 NCCCc1ncn(c1)C 1P028KDF [0,2,0,0,0,0|0,0,2]=4 1846 B10R1.16 NCCCc1nnc([nH]1)N 1P019U1V [0,2,0,0,0,0|1,0,0]=3 1847 B10R1.16 NCCCc1nnc(s1)N 1P00J2A2 [0,2,0,0,0,0|2,0,0]=4 1848 B10R1.16 NCCCn1cnc(c1)C 1P01E43T [0,2,0,0,0,0|2,0,0]=4 1849 B10R1.16 NCCSc1nnc(s1)C 1P00J1TP [0,2,0,0,0,0|2,0,0]=4 1850 B10R1.16 NNCCc1csc(c1)Cl 1P02848F [0,2,0,0,0,0|2,0,0]=4 1851 B10R1.16 NNCCc1csc(c1)Cl 1P0284UW [0,2,0,0,0,0|2,0,0]=4 1852 B10R1.16 NNCCc1csc(n1)Cl 1P0284QA [0,2,0,0,0,0|1,0,1]=4 1853 B10R1.16 Nc1nnc([nH]1)CCCO 1P00AMST [0,2,0,0,0,0|2,0,0]=4 1854 B10R1.54 CC(Cc1ccc(s1)C)N 1P01AKCX [0,2,0,0,0,0|2,0,0]=4 1855 B10R1.54 CC(Cc1ccc(s1)Cl)N 1P01E17F [0,2,0,0,0,0|2,0,0]=4 1856 B10R1.54 CC(Cc1cnc(s1)N)C 1P00CHGE [0,2,0,0,0,0|2,0,0]=4 1857 B10R1.54 CC(Cc1ncn(c1)C)N 1P02835L [0,2,0,0,0,0|0,0,2]=4 1858 B10R1.54 CC(Cc1onc(c1)C)N 1P00945D [0,2,0,0,0,0|2,0,0]=4 1859 B10R1.94 CCCc1nnc(n1N)S 1P00BDHI [0,2,0,0,0,0|2,0,0]=4 1860 B10R1.94 Cc1c(CCN)cnn1C 1P01A0R2 [0,2,0,0,0,0|2,0,0]=4 1861 B10R1.94 Cn1c(CCC)nnc1Cl 1P01EKJE [0,2,0,0,0,0|2,0,0]=4 1862 B10R1.94 Cn1c(CCC)nnc1S 1P01DRC3 [0,2,0,0,0,0|2,0,0]=4 1863 B10R1.94 Cn1c(CCN)n[nH]c1=O 1P00J1F3 [0,2,0,0,0,0|1,0,1]=4 1864 B10R1.94 Cn1c(CCN)nnc1S 1P01ABBS [0,2,0,0,0,0|1,0,0]=3 1865 B10R1.94 Cn1c(CCN)noc1=O 1P0283RJ [0,2,0,0,0,0|2,0,0]=4 1866 B10R1.94 Cn1c(CCO)nnc1S 1P01AD3M [0,2,0,0,0,0|2,0,0]=4 1867 B10R1.94 NCCc1ncn(c1Br)C 1P01EM15 [0,2,0,0,0,0|0,0,2]=4 1868 B10R1.94 NCCc1nnc(n1C)Br 1P028UJT [0,2,0,0,0,0|1,0,0]=3 1869 B10R1.94 NCCc1nnc(n1C)C 1P01B23Y [0,2,0,0,0,0|1,0,0]=3 1870 B10R1.94 NCCn1cnc(c1C)C 1P00J32A [0,2,0,0,0,0|2,0,0]=4 1871 B10R1.96 CSc1nnc(o1)CCN 1P0293F0 [0,2,0,0,0,0|2,0,0]=4 1872 B10R1.96 NCCc1[nH]cc(n1)CO 1P028C0Z [0,2,0,0,0,0|2,0,0]=4 1873 B10R1.96 NCCc1ccc(o1)CO 1P027V2M [0,2,0,0,0,0|2,0,0]=4 1874 B10R1.96 NCCc1cnn(c1)CC 1P02498H [0,2,0,0,0,0|2,0,0]=4 1875 B10R1.96 NCCc1csc(n1)CC 1P00J296 [0,2,0,0,0,0|1,0,1]=4 1876 B10R1.96 NCCc1csc(n1)CC 1P01A9SW [0,2,0,0,0,0|1,0,1]=4 1877 B10R1.96 NCCc1nnc(s1)CO 1P028ECR [0,2,0,0,0,0|2,0,0]=4 1878 B10R1.96 NCCc1onc(c1)CC 1P0281CG [0,2,0,0,0,0|2,0,0]=4 1879 B10R1.96 NCCc1onc(n1)CC 1P00J1FH [0,2,0,0,0,0|1,0,1]=4 1880 B10R1.96 NCCc1onc(n1)CN 1P0287J7 [0,2,0,0,0,0|1,0,1]=4 1881 B10R1.96 NCCn1cnc(c1)CO 1P028R0J [0,2,0,0,0,0|2,0,0]=4 1882 B10R1.96 NCCn1cnc(n1)C#N 1P01BB4O [0,2,0,0,0,0|1,0,1]=4 1883 B10R1.130 Cc1nc(nn1CCN)C 1P008CWR [0,2,0,0,0,0|1,0,1]=4 1884 B10R1.130 Cc1nc(nn1CCN)C 1P01FLXR [0,2,0,0,0,0|1,0,1]=4 1885 B10R1.130 Cc1nc(sc1CCN)C 1P007KCV [0,2,0,0,0,0|1,0,0]=3 1886 B10R1.130 Cc1nc(sc1CCO)C 1P01C86A [0,2,0,0,0,0|2,0,0]=4 1887 B10R1.130 Cc1oc(nc1CCN)C 1P01A3HJ [0,2,0,0,0,0|1,0,1]=4 1888 B10R1.130 Cc1sc(cc1CCN)C 1P028KBK [0,2,0,0,0,0|2,0,0]=4 1889 B10R1.130 Cn1cc(c(n1)Br)CCN 1P027UFG [0,2,0,0,0,0|2,0,0]=4 1890 B10R1.130 NCCC1NC(=O)NC1=O 1P0291QQ [0,2,0,0,0,0|0,0,2]=4 1891 B10R1.130 NCCc1cc(sc1Cl)Cl 1P0288OH [0,2,0,0,0,0|2,0,0]=4 1892 B10R1.130 NCCc1cc(sc1Cl)Cl 1P028ZET [0,2,0,0,0,0|2,0,0]=4 1893 B10R1.130 NCCc1nc(sc1Cl)Cl 1P028C9L [0,2,0,0,0,0|1,0,1]=4 1894 B10R1.130 NCCc1sc(nc1C)N 1P00A47S [0,2,0,0,0,0|1,0,0]=3 1895 B10R1.130 NCCc1sc(nc1C)N 1P01DTW3 [0,2,0,0,0,0|1,0,0]=3 1896 B10R1.130 NCCn1nc(nc1C)C 1P00J2A8 [0,2,0,0,0,0|1,0,1]=4 1897 B10R1.6 C#CC(c1[nH]cnc1)(C)C 1P028RP9 [0,2,0,0,0,0|1,0,1]=4 1898 B10R1.6 N#CC(c1[nH]cnc1)(C)C 1P0288U9 [0,2,0,0,0,0|0,0,2]=4 1899 B10R1.6 NCC(c1[nH]cnc1)(C)C 1P028PH3 [0,2,0,0,0,0|0,0,0]=2 1900 B10R1.6 NCC(c1ccco1)(O)C 1P019Q7F [0,2,0,0,0,0|2,0,0]=4 1901 B10R1.6 NCC(c1cccs1)(C)C 1P00D58A [0,2,0,0,0,0|2,0,0]=4 1902 B10R1.6 NCC(c1cccs1)(C)C 1P028BJ0 [0,2,0,0,0,0|2,0,0]=4 1903 B10R1.6 NCC(c1cccs1)(O)C 1P0193H9 [0,2,0,0,0,0|2,0,0]=4 1904 B10R1.6 NCC(c1cscc1)(C)C 1P028DNT [0,2,0,0,0,0|2,0,0]=4 1905 B10R1.6 NCC(c1cscc1)(O)C 1P01AKWV [0,2,0,0,0,0|2,0,0]=4 1906 B10R1.6 NCC(n1cncc1)(C)C 1P01B701 [0,2,0,0,0,0|2,0,0]=4 1907 B10R1.11 CCOC(=O)c1cnc[nH]1 1P00BCEJ [0,2,0,0,0,0|1,0,1]=4 1908 B10R1.11 CNCC(c1cccs1)O 1P00PKD6 [0,2,0,0,0,0|2,0,0]=4 1909 B10R1.11 CNCC(c1cscc1)O 1P024MCV [0,2,0,0,0,0|2,0,0]=4 1910 B10R1.11 CNCC(c1nnn[nH]1)C 1P01A7E8 [0,2,0,0,0,0|2,0,0]=4 1911 B10R1.11 NCCC(c1c[nH]nc1)C 1P028ZK8 [0,2,0,0,0,0|2,0,0]=4 1912 B10R1.11 NCCC(c1cccs1)O 1P0193H3 [0,2,0,0,0,0|2,0,0]=4 1913 B10R1.11 OCCC(c1scnc1)N 1P01EMW0 [0,2,0,0,0,0|2,0,0]=4 1914 B10R1.11 OCC[C@@H](c1scnc1)N 1P0290UP [0,2,0,0,0,0|2,0,0]=4 1915 B10R1.11 OCC[C@H](c1scnc1)N 1P02917T [0,2,0,0,0,0|2,0,0]=4 1916 B10R1.23 CC(n1cncn1)C(N)C 1P01AH6N [0,2,0,0,0,0|1,0,1]=4 1917 B10R1.23 NC(c1[nH]cnn1)C(C)C 1P01AKMJ [0,2,0,0,0,0|2,0,0]=4 1918 B10R1.149 CCC(=O)c1cncn1C 1P00F3CA [0,2,0,0,0,0|1,0,1]=4 1919 B10R1.149 CC[C@H](c1cnnn1C)N 1P0284CD [0,2,0,0,0,0|2,0,0]=4 1920 B10R1.149 Cc1nc[nH]c1C(=O)NN 1P0063X7 [0,2,0,0,0,0|1,0,1]=4 1921 B10R1.149 Cc1ncsc1C(=O)CN 1P028526 [0,2,0,0,0,0|1,0,1]=4 1922 B10R1.149 Cn1cncc1C(=O)NN 1P002O89 [0,2,0,0,0,0|1,0,1]=4 1923 B10R1.149 Cn1nccc1C(CN)O 1P01C829 [0,2,0,0,0,0|2,0,0]=4 1924 B10R1.149 FCC(c1cnnn1C)N 1P028JSN [0,2,0,0,0,0|2,0,0]=4 1925 B10R1.149 NCC(=O)c1cncn1C 1P027ZYY [0,2,0,0,0,0|0,0,1]=3 1926 B10R1.149 NCC(=O)c1cnnn1C 1P027ZZY [0,2,0,0,0,0|1,0,1]=4 1927 B10R1.149 NCC(c1cccn1C)O 1P01AL3B [0,2,0,0,0,0|1,0,0]=3 1928 B10R1.149 NCC(c1nccn1C)O 1P00J1IN [0,2,0,0,0,0|2,0,0]=4 1929 B10R1.149 NCC(c1nncn1C)C 1P01B1RP [0,2,0,0,0,0|1,0,0]=3 1930 B10R1.149 NCC(c1nncn1C)C 1P01B1RP [0,2,0,0,0,0|1,0,0]=3 1931 B10R1.149 OCC(c1cncn1C)N 1P01B6YB [0,2,0,0,0,0|1,0,0]=3 1932 B10R1.149 OCC(c1nncn1C)N 1P01B7DP [0,2,0,0,0,0|2,0,0]=4 1933 B10R1.21 CCNCCc1cccs1 1P019MCF [0,2,0,0,0,0|2,0,0]=4 1934 B10R1.21 CCNCCn1cncc1 1P003TG3 [0,2,0,0,0,0|2,0,0]=4 1935 B10R1.21 CNCCCc1ccco1 1P001ZKU [0,2,0,0,0,0|2,0,0]=4 1936 B10R1.21 CNCCCn1cncc1 1P01A1KJ [0,2,0,0,0,0|2,0,0]=4 1937 B10R1.21 NCCCCc1c[nH]cn1 1P028BZZ [0,2,0,0,0,0|0,0,2]=4 1938 B10R1.21 NCCCCc1c[nH]nc1 1P019SOG [0,2,0,0,0,0|2,0,0]=4 1939 B10R1.21 NCCCCc1cccs1 1P028R9O [0,2,0,0,0,0|2,0,0]=4 1940 B10R1.21 NCCCCc1ncc[nH]1 1P01AMSS [0,2,0,0,0,0|2,0,0]=4 1941 B10R1.21 NCCCCn1cncc1 1P006342 [0,2,0,0,0,0|2,0,0]=4 1942 B10R1.21 NCCSCc1ccco1 1P007AJD [0,2,0,0,0,0|2,0,0]=4 1943 B10R1.21 NCCSCc1cscc1 1P019P7M [0,2,0,0,0,0|2,0,0]=4 1944 B10R1.21 NCCSCc1cscc1 1P019Y7Y [0,2,0,0,0,0|2,0,0]=4 1945 B10R1.21 NNCCCn1cncc1 1P01B35H [0,2,0,0,0,0|2,0,0]=4 1946 B10R1.27 CC(NC)Cc1cncs1 1P028BD4 [0,2,0,0,0,0|1,0,0]=3 1947 B10R1.27 CCC(Cc1c[nH]cc1)N 1P027Z2R [0,2,0,0,0,0|1,0,1]=4 1948 B10R1.27 CCC(Cn1cncc1)N 1P00J1RI [0,2,0,0,0,0|2,0,0]=4 1949 B10R1.27 CCC(Cn1cncn1)N 1P024SCQ [0,2,0,0,0,0|1,0,1]=4 1950 B10R1.27 CNC(Cc1c[nH]nc1)C 1P0281AS [0,2,0,0,0,0|2,0,0]=4 1951 B10R1.27 CNC(Cc1cscc1)C 1P019U95 [0,2,0,0,0,0|2,0,0]=4 1952 B10R1.27 COC(=O)Cc1cnc[nH]1 1P00CMO1 [0,2,0,0,0,0|1,0,1]=4 1953 B10R1.27 NCC(Cc1c[nH]nc1)C 1P028BRP [0,2,0,0,0,0|2,0,0]=4 1954 B10R1.27 NCC(Cc1cccs1)C 1P019Q9M [0,2,0,0,0,0|2,0,0]=4 1955 B10R1.27 NCC(Cn1cncc1)C 1P019VK7 [0,2,0,0,0,0|2,0,0]=4 1956 B10R1.27 NCC(Cn1cncc1)O 1P01DVG5 [0,2,0,0,0,0|2,0,0]=4 1957 B10R1.27 OCC(Cc1ccco1)N 1P028BPO [0,2,0,0,0,0|2,0,0]=4 1958 B10R1.27 OCC(Cc1cccs1)N 1P01EMU8 [0,2,0,0,0,0|2,0,0]=4 1959 B10R1.27 OCC(Cc1cocc1)N 1P0288V3 [0,2,0,0,0,0|2,0,0]=4 1960 B10R1.27 OCC(Cc1scnc1)N 1P01BRZS [0,2,0,0,0,0|1,0,0]=3 1961 B10R1.27 OC[C@H](Cc1nc[nH]c1)N 1P001ROW [0,2,0,0,0,0|0,0,2]=4 1962 B10R1.29 CCNCc1cncn1C 1P01DVUP [0,2,0,0,0,0|1,0,0]=3 1963 B10R1.29 CCNCc1cnnn1C 1P0286RG [0,2,0,0,0,0|2,0,0]=4 1964 B10R1.29 CNCCc1ccnn1C 1P027YY8 [0,2,0,0,0,0|2,0,0]=4 1965 B10R1.29 CNCCn1ccnc1C 1P00J1PF [0,2,0,0,0,0|2,0,0]=4 1966 B10R1.29 CNCCn1ccnc1C 1P0281ZE [0,2,0,0,0,0|2,0,0]=4 1967 B10R1.29 Cc1n[nH]cc1CCCN 1P002WRW [0,2,0,0,0,0|2,0,0]=4 1968 B10R1.29 Cc1nccn1CCCN 1P0039C1 [0,2,0,0,0,0|2,0,0]=4 1969 B10R1.29 Cc1nccn1CCCN 1P00G3EO [0,2,0,0,0,0|2,0,0]=4 1970 B10R1.29 Cc1ncsc1CCCBr 1P028AQR [0,2,0,0,0,0|2,0,0]=4 1971 B10R1.29 Cc1ncsc1CCCCl 1P02917C [0,2,0,0,0,0|2,0,0]=4 1972 B10R1.29 Cc1ncsc1CCCN 1P00I6MO [0,2,0,0,0,0|1,0,0]=3 1973 B10R1.29 Cc1ncsc1CCCN 1P00J1HA [0,2,0,0,0,0|1,0,0]=3 1974 B10R1.29 Cc1ncsc1CCCO 1P00F4GG [0,2,0,0,0,0|2,0,0]=4 1975 B10R1.29 Cc1nocc1CCCN 1P0287OL [0,2,0,0,0,0|2,0,0]=4 1976 B10R1.29 Cc1nonc1OCCN 1P00J3GJ [0,2,0,0,0,0|1,0,1]=4 1977 B10R1.29 Cn1cncc1C=CCN 1P0289JR [0,2,0,0,0,0|0,0,1]=3 1978 B10R1.29 Cn1cncc1CCCBr 1P01C2XA [0,2,0,0,0,0|1,0,0]=3 1979 B10R1.29 Cn1cncc1CCCO 1P00EXKP [0,2,0,0,0,0|1,0,0]=3 1980 B10R1.29 Cn1nccc1CCCN 1P01DVPG [0,2,0,0,0,0|2,0,0]=4 1981 B10R1.29 NCCCc1ccnn1C 1P028JTN [0,2,0,0,0,0|2,0,0]=4 1982 B10R1.29 NCCCc1n[nH]nc1C 1P028Y2U [0,2,0,0,0,0|1,0,1]=4 1983 B10R1.29 NCCCc1ncnn1C 1P01C5BS [0,2,0,0,0,0|1,0,1]=4 1984 B10R1.29 NCCCc1nncn1C 1P01A1Q4 [0,2,0,0,0,0|1,0,0]=3 1985 B10R1.29 NCCCn1ccnc1C 1P00J1M4 [0,2,0,0,0,0|2,0,0]=4 1986 B10R1.29 NCCCn1cncc1C 1P01A1Z3 [0,2,0,0,0,0|2,0,0]=4 1987 B10R1.29 NCCNc1ccnn1C 1P01BE37 [0,2,0,0,0,0|2,0,0]=4 1988 B10R1.29 NCCNc1nnnn1C 1P019YM8 [0,2,0,0,0,0|2,0,0]=4 1989 B10R1.29 NCCSc1nccn1C 1P007KGK [0,2,0,0,0,0|2,0,0]=4 1990 B10R1.29 NCCSc1nccn1C 1P00J1E8 [0,2,0,0,0,0|2,0,0]=4 1991 B10R1.29 NCCSc1nncn1C 1P00J1EG [0,2,0,0,0,0|1,0,0]=3 1992 B10R1.29 NCCSc1nnnn1C 1P00J1NI [0,2,0,0,0,0|2,0,0]=4 1993 B10R1.66 CC(CCc1c[nH]nc1)N 1P028OX3 [0,2,0,0,0,0|2,0,0]=4 1994 B10R1.66 CC(CCc1c[nH]nc1)N 1P028TJZ [0,2,0,0,0,0|2,0,0]=4 1995 B10R1.66 CC(CCc1ccco1)N 1P005SKI [0,2,0,0,0,0|2,0,0]=4 1996 B10R1.66 CC(CCn1cncn1)N 1P019YRP [0,2,0,0,0,0|1,0,1]=4 1997 B10R1.66 CN(CCc1c[nH]cc1)C 1P028ANN [0,2,0,0,0,0|1,0,1]=4 1998 B10R1.66 NC(=N)CCn1cncc1 1P019Y45 [0,2,0,0,0,0|2,0,0]=4 1999 B10R1.66 NC(=N)CCn1ncnc1 1P01A8NZ [0,2,0,0,0,0|1,0,1]=4 2000 B10R1.66 NC(=O)CCn1cncc1 1P00J7M6 [0,2,0,0,0,0|2,0,0]=4 2001 B10R1.66 OC(=O)CCc1ccc[nH]1 1P00CJ7G [0,2,0,0,0,0|2,0,0]=4 2002 B10R1.66 OC(=O)CCc1cnc[nH]1 1P00IA3B [0,2,0,0,0,0|1,0,0]=3 2003 B10R1.66 OC(=O)CCc1cnco1 1P02013X [0,2,0,0,0,0|2,0,0]=4 2004 B10R1.66 OC(=O)CCc1cncs1 1P00645C [0,2,0,0,0,0|2,0,0]=4 2005 B10R1.66 OC(=O)CCc1cncs1 1P01AMID [0,2,0,0,0,0|2,0,0]=4 2006 B10R1.66 OC(=O)CCc1nnc[nH]1 1P01E8YY [0,2,0,0,0,0|2,0,0]=4 2007 B10R1.64 CC(Cc1cccn1C)N 1P01C0S6 [0,2,0,0,0,0|1,0,0]=3 2008 B10R1.64 CC(Cc1ccnn1C)N 1P00HVJC [0,2,0,0,0,0|2,0,0]=4 2009 B10R1.64 CC(Cc1cncn1C)N 1P020LME [0,2,0,0,0,0|0,0,0]=2 2010 B10R1.64 CC(Cc1nccn1C)N 1P01DXAR [0,2,0,0,0,0|2,0,0]=4 2011 B10R1.64 CC(Cc1ncnn1C)N 1P028R15 [0,2,0,0,0,0|1,0,1]=4 2012 B10R1.64 CC(Cc1nncn1C)N 1P0281FE [0,2,0,0,0,0|1,0,0]=3 2013 B10R1.64 C[C@@H](Cc1ccnn1C)N 1P028GDL [0,2,0,0,0,0|2,0,0]=4 2014 B10R1.64 C[C@H](Cc1ccnn1C)N 1P027ZBB [0,2,0,0,0,0|2,0,0]=4 2015 B10R1.64 Cn1cncc1CC(=O)O 1P01AFND [0,2,0,0,0,0|1,0,1]=4 2016 B10R1.281 CC(Cc1ccc[nH]1)(N)C 1P02908Q [0,2,0,0,0,0|1,0,0]=3 2017 B10R1.281 CS(=O)(=O)Cc1[nH]cnc1 1P01RJV8 [0,2,0,0,0,0|2,0,0]=4 2018 B10R1.5 CNCc1cncn1CC 1P01DVV9 [0,2,0,0,0,0|2,0,0]=4 2019 B10R1.5 NCCc1cccn1CC 1P028KLI [0,2,0,0,0,0|1,0,0]=3 2020 B10R1.5 NCCc1nncn1CC 1P00J1Z6 [0,2,0,0,0,0|1,0,0]=3 2021 B10R1.5 NCCc1nncn1CC 1P01AH47 [0,2,0,0,0,0|1,0,0]=3 2022 B10R1.5 NCCc1ocnc1CO 1P0291Y4 [0,2,0,0,0,0|1,0,0]=3 2023 B10R1.5 NCCn1ccnc1CC 1P0009Z1 [0,2,0,0,0,0|2,0,0]=4 2024 B10R1.5 NCCn1ccnc1CC 1P00HDIT [0,2,0,0,0,0|2,0,0]=4 2025 B10R1.5 NCCn1ccnc1CC 1P01EIJR [0,2,0,0,0,0|2,0,0]=4 2026 B10R1.187 Cn1ncc(c1CCN)Br 1P008V73 [0,2,0,0,0,0|2,0,0]=4 2027 B10R1.187 NCCc1c(C)n[nH]c1C 1P00C0EZ [0,2,0,0,0,0|2,0,0]=4 2028 B10R1.187 NCCc1c(C)n[nH]c1C 1P00J3YQ [0,2,0,0,0,0|2,0,0]=4 2029 B10R1.187 NCCc1c(C)noc1C 1P00D9T9 [0,2,0,0,0,0|2,0,0]=4 2030 B8R1.2 NCc1cccnc1 1P003UIR [0,0,1,1,0,0|1,0,1]=4 2031 B8R1.2 NCc1cccnc1 1P01XEWA [0,0,1,1,0,0|1,0,1]=4 2032 B8R1.2 NCc1ccncc1 1P0034LV [0,0,1,1,0,0|1,0,1]=4 2033 B8R1.2 NCc1ccncc1 1P00ED63 [0,0,1,1,0,0|1,0,1]=4 2034 B8R1.2 NCc1ccncn1 1P000A6H [0,0,1,1,0,0|0,0,2]=4 2035 B8R1.2 NCc1ccncn1 1P0038A7 [0,0,1,1,0,0|0,0,2]=4 2036 B8R1.2 NCc1ccncn1 1P00EMBN [0,0,1,1,0,0|0,0,2]=4 2037 B8R1.2 NCc1cncnc1 1P002RBY [0,0,1,1,0,0|0,0,2]=4 2038 B8R1.2 NCc1cncnc1 1P00ILSS [0,0,1,1,0,0|0,0,2]=4 2039 B8R1.5 Nc1ncccc1N 1P00396H [0,0,1,1,0,0|0,0,2]=4 2040 B8R1.5 Nc1nccnc1N 1P000WG1 [0,0,1,1,0,0|1,0,1]=4 2041 B8R1.22 O=C1NCCC=CC1 1P01DWJ5 [0,0,1,1,0,0|2,0,0]=4 2042 B8R1.4 CC1=CC(=N)NCC1 1P028G47 [0,0,1,1,0,0|1,0,1]=4 2043 B8R1.4 Nc1cncc(c1)N 1P00396A [0,0,1,1,0,0|0,0,2]=4 2044 B8R1.4 Nc1cncc(c1)N 1P01EKHM [0,0,1,1,0,0|0,0,2]=4 2045 B8R1.4 Nc1cncc(c1)N 1P02836T [0,0,1,1,0,0|0,0,2]=4 2046 B8R1.4 Nc1cncc(n1)N 1P00137A [0,0,1,1,0,0|1,0,1]=4 2047 B8R1.4 Nc1cncc(n1)N 1P0033HL [0,0,1,1,0,0|1,0,1]=4 2048 B8R1.4 O=C1CCNC(=O)N1 1P00DF59 [0,0,1,1,0,0|2,0,0]=4 2049 B8R1.18 O=C1CC(C(=O)N1)N 1P01C7UN [0,0,1,1,0,0|2,0,0]=4 2050 B8R1.18 O=C1C[C@@H](C(=O)N1)N 1P005ZEX [0,0,1,1,0,0|2,0,0]=4 2051 B8R1.18 O=C1C[C@@H](C(=O)N1)N 1P028866 [0,0,1,1,0,0|2,0,0]=4 2052 B8R1.18 O=C1C[C@H](C(=O)N1)N 1P01LIZ9 [0,0,1,1,0,0|2,0,0]=4 2053 B8R1.18 O=C1C[C@H](C(=O)N1)N 1P029030 [0,0,1,1,0,0|2,0,0]=4 2054 B10R2.6 C1CC1c2ccncc2 1P01EKJC [0,0,0,1,0,1|2,0,0]=4 2055 B10R2.6 N1CC1c2ccccc2 1P001MKW [0,0,0,1,0,1|2,0,0]=4 2056 B10R2.6 c1ccc(cn1)C2CC2 1P002HZK [0,0,0,1,0,1|2,0,0]=4 2057 B10R2.6 c1ccc(cn1)C2CO2 1P00ELQC [0,0,0,1,0,1|2,0,0]=4 2058 B10R2.7 C1Cc2c(N1)ccnc2 1P002OA9 [0,0,0,1,0,1|1,0,0]=3 2059 B10R2.7 C1Cc2c(N1)ccnc2 1P00EKG2 [0,0,0,1,0,1|1,0,0]=3 2060 B10R2.7 C1Cc2c(N1)cncc2 1P00338T [0,0,0,1,0,1|1,0,0]=3 2061 B10R2.7 C1Cc2c(N1)cncc2 1P009I2T [0,0,0,1,0,1|1,0,0]=3 2062 B10R2.7 C1Cc2c(N1)cncc2 1P00HZ3J [0,0,0,1,0,1|1,0,0]=3 2063 B10R2.7 C1Cc2c(N1)nccc2 1P003FZJ [0,0,0,1,0,1|1,0,0]=3 2064 B10R2.7 C1Cc2c(N1)ncnc2 1P01BY0P [0,0,0,1,0,1|0,0,1]=3 2065 B10R2.7 C1Cc2c(N1)nncc2 1P027VME [0,0,0,1,0,1|1,0,0]=3 2066 B10R2.7 C1Nc2c(C1)nccc2 1P009I2U [0,0,0,1,0,1|1,0,1]=4 2067 B10R2.7 C1Nc2c(C1)nccc2 1P00AO2E [0,0,0,1,0,1|1,0,1]=4 2068 B10R2.7 C1Nc2c(C1)nncc2 1P01AV5F [0,0,0,1,0,1|1,0,1]=4 2069 B10R2.7 C1Nc2c(C1)nncc2 1P01AV5G [0,0,0,1,0,1|1,0,1]=4 2070 B10R2.7 c1cnc2c(c1)CCC2 1P003FX5 [0,0,0,1,0,1|2,0,0]=4 2071 B10R2.7 c1cnc2c(n1)NCC2 1P01XAC3 [0,0,0,1,0,1|0,0,1]=3 2072 B10R2.7 c1ncc2c(c1)CCC2 1P00DL6X [0,0,0,1,0,1|2,0,0]=4 2073 B10R2.320 NC1Cc2c1cccc2 1P002M98 [0,0,0,1,0,1|2,0,0]=4 2074 B10R2.2 Brc1sc2c(n1)CCC2 1P0084EX [0,1,0,1,0,0|2,0,0]=4 2075 B10R2.2 Clc1sc2c(n1)CCC2 1P00BTAG [0,1,0,1,0,0|2,0,0]=4 2076 B10R2.2 NC1Cc2c(C1)csc2 1P028JLQ [0,1,0,1,0,0|2,0,0]=4 2077 B10R2.2 NC1Cn2c(C1)cnc2 1P01AV0G [0,1,0,1,0,0|0,0,0]=2 2078 B10R2.2 NC1Cn2c(C1)nnn2 1P027WUG [0,1,0,1,0,0|2,0,0]=4 2079 B10R2.2 Nc1sc2c(n1)CCC2 1P006UA1 [0,1,0,1,0,0|2,0,0]=4 2080 B10R2.2 Nc1sc2c(n1)CCC2 1P00G2WQ [0,1,0,1,0,0|2,0,0]=4 2081 B10R2.2 Nc1sc2c(n1)CCC2 1P01FJXE [0,1,0,1,0,0|2,0,0]=4 2082 B10R2.2 O=c1[nH]c2c(s1)CCC2 1P01AB7A [0,1,0,1,0,0|2,0,0]=4 2083 B10R2.2 SC1C[n+]2n(C1)cnc2 1P007HYR [0,1,0,1,0,0|2,0,0]=4 2084 B10R2.2 Sc1[nH]c2c(n1)CCC2 1P01BAT9 [0,1,0,1,0,0|1,0,0]=3 2085 B10R2.14 Brc1ncc([nH]1)C2CC2 1P01JWLZ [0,1,0,1,0,0|1,0,0]=3 2086 B10R2.14 Brc1ncc(o1)C2CC2 1P020M7A [0,1,0,1,0,0|2,0,0]=4 2087 B10R2.14 Brc1ncc(s1)C2CC2 1P000HRA [0,1,0,1,0,0|2,0,0]=4 2088 B10R2.14 Nc1ncc([nH]1)C2CC2 1P00I0IC [0,1,0,1,0,0|1,0,0]=3 2089 B10R2.14 Nc1nnc([nH]1)C2CC2 1P00D8LJ [0,1,0,1,0,0|2,0,0]=4 2090 B10R2.32 Brc1ncn2c1CCC2 1P0283OT [0,1,0,1,0,0|1,0,0]=3 2091 B10R2.32 Brc1nnc2n1CCC2 1P01C9M4 [0,1,0,1,0,0|2,0,0]=4 2092 B10R2.32 Brc1nnn2c1CCC2 1P027RAT [0,1,0,1,0,0|2,0,0]=4 2093 B10R2.32 C1CC(=O)c2c1[nH]cc2 1P027Q2J [0,1,0,1,0,0|2,0,0]=4 2094 B10R2.32 C1CC(=O)c2n1cnc2 1P007M3O [0,1,0,1,0,0|1,0,1]=4 2095 B10R2.32 Ic1nnc2n1CCC2 1P0287U4 [0,1,0,1,0,0|2,0,0]=4 2096 B10R2.32 NC1CCc2c1cn[nH]2 1P02932D [0,1,0,1,0,0|2,0,0]=4 2097 B10R2.32 NC1CCn2c1cnc2 1P01AV22 [0,1,0,1,0,0|1,0,0]=3 2098 B10R2.32 Nc1nnn2c1CCC2 1P0285AW [0,1,0,1,0,0|2,0,0]=4 2099 B10R2.32 Sc1ncc2n1CCC2 1P027YOA [0,1,0,1,0,0|1,0,0]=3 2100 B10R2.5 N[C@@H]1C[C@H]1c2ccco2 1P0280KE [0,1,0,1,0,0|2,0,0]=4 2101 B10R2.5 N[C@@H]1C[C@H]1c2ncsc2 1P027WSS [0,1,0,1,0,0|1,0,1]=4 2102 B10R2.5 N[C@@H]1C[C@H]1c2scnc2 1P02805I [0,1,0,1,0,0|1,0,0]=3 2103 B10R2.16 NC1(CC1)c2[nH]cnn2 1P028LH9 [0,1,0,1,0,0|2,0,0]=4 2104 B10R2.136 C1CC(C1)c2ocnc2 1P01EJ6U [0,1,0,1,0,0|2,0,0]=4 2105 B10R2.136 N1CC(C1)c2[nH]cnc2 1P027Z51 [0,1,0,1,0,0|0,0,0]=2 2106 B10R2.136 N1CC(C1)c2[nH]cnc2 1P028LKX [0,1,0,1,0,0|0,0,0]=2 2107 B10R2.136 N1CC(C1)c2c[nH]nc2 1P028V33 [0,1,0,1,0,0|2,0,0]=4 2108 B10R2.136 N1CC(C1)c2ncc[nH]2 1P01FKVP [0,1,0,1,0,0|2,0,0]=4 2109 B10R2.136 N1CC(C1)c2ncno2 1P0284K7 [0,1,0,1,0,0|1,0,1]=4 2110 B10R2.136 N1CC(C1)c2ncsc2 1P027XVE [0,1,0,1,0,0|1,0,1]=4 2111 B10R2.136 N1CC(C1)c2ocnc2 1P027YH1 [0,1,0,1,0,0|1,0,0]=3 2112 B10R2.136 N1CC(C1)c2scnn2 1P028ECF [0,1,0,1,0,0|2,0,0]=4 2113 B10R2.136 N1CC(C1)n2cncc2 1P007YCG [0,1,0,1,0,0|2,0,0]=4 2114 B10R2.136 N1CC(C1)n2ncnc2 1P01AAEO [0,1,0,1,0,0|1,0,1]=4 2115 B10R2.21 Brc1ncoc1C2CC2 1P028NLT [0,1,0,1,0,0|2,0,0]=4 2116 B10R2.21 Brc1ncsc1C2CC2 1P028P3N [0,1,0,1,0,0|2,0,0]=4 2117 B10R2.21 Cc1ncsc1C2CC2 1P0282DB [0,1,0,1,0,0|2,0,0]=4 2118 B10R2.21 Cn1cncc1C2CC2 1P02223K [0,1,0,1,0,0|1,0,0]=3 2119 B10R2.21 Cn1cnnc1C2CC2 1P009E6Y [0,1,0,1,0,0|2,0,0]=4 2120 B10R2.21 Cn1cnnc1C2CC2 1P00J2UF [0,1,0,1,0,0|2,0,0]=4 2121 B10R2.21 Ic1ncoc1C2CC2 1P028G2D [0,1,0,1,0,0|2,0,0]=4