0 B8R1.2 BrCc1ccccc1 1P0000N4 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.2 BrCc1ccccn1 1P00BC33 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.2 BrCc1cccnc1 1P0033XF [0,0,0,0,0,0|2,0,0]=2 3 B8R1.2 BrCc1cccnn1 1P001L60 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.2 BrCc1ccncc1 1P00349W [0,0,0,0,0,0|4,0,0]=4 5 B8R1.2 BrCc1ccncn1 1P0013LN [0,0,0,0,0,0|3,0,0]=3 6 B8R1.2 BrCc1ccnnc1 1P01V2SC [0,0,0,0,0,0|3,0,0]=3 7 B8R1.2 BrCc1cnccn1 1P001ID7 [0,0,0,0,0,0|1,0,0]=1 8 B8R1.2 BrCc1cncnc1 1P00H1HO [0,0,0,0,0,0|3,0,0]=3 9 B8R1.2 BrCc1ncccn1 1P00IA52 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.2 BrCc1ncccn1 1P023O77 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.2 Br[Mg]c1ccccc1 1P0000NW [0,0,0,0,0,0|4,0,0]=4 12 B8R1.2 Br[Se]c1ccccc1 1P00399Q [0,0,0,0,0,0|4,0,0]=4 13 B8R1.2 C#Cc1ccccc1 1P0037R1 [0,0,0,0,0,0|2,0,2]=4 14 B8R1.2 C#Cc1ccccn1 1P003HOZ [0,0,0,0,0,0|1,0,2]=3 15 B8R1.2 C#Cc1cccnc1 1P002QXU [0,0,0,0,0,0|1,0,2]=3 16 B8R1.2 C#Cc1cccnn1 1P00060E [0,0,0,0,0,0|2,0,2]=4 17 B8R1.2 C#Cc1ccncn1 1P000PRI [0,0,0,0,0,0|2,0,2]=4 18 B8R1.2 C#Cc1cnccn1 1P00ADUU [0,0,0,0,0,0|0,0,2]=2 19 B8R1.2 C#Cc1cncnc1 1P00387D [0,0,0,0,0,0|2,0,2]=4 20 B8R1.2 C#Cc1ncccn1 1P0037ZB [0,0,0,0,0,0|2,0,2]=4 21 B8R1.2 C=Cc1ccccc1 1P0000N1 [0,0,0,0,0,0|2,0,2]=4 22 B8R1.2 C=Cc1ccccc1 1P00C4A8 [0,0,0,0,0,0|2,0,2]=4 23 B8R1.2 C=Cc1cccnc1 1P003491 [0,0,0,0,0,0|1,0,2]=3 24 B8R1.2 C=Cc1cccnn1 1P01E0FL [0,0,0,0,0,0|2,0,2]=4 25 B8R1.2 C=Cc1cnccn1 1P003IFF [0,0,0,0,0,0|0,0,2]=2 26 B8R1.2 C=Cc1cncnc1 1P00DHZ5 [0,0,0,0,0,0|2,0,2]=4 27 B8R1.2 C=Cc1ncccn1 1P00DIF0 [0,0,0,0,0,0|2,0,2]=4 28 B8R1.2 CCN1CC=CC=C1 1P004M7X [0,0,0,0,0,0|3,0,0]=3 29 B8R1.2 CC[n+]1ccccc1 1P002F4L [0,0,0,0,0,0|3,0,0]=3 30 B8R1.2 CC[n+]1ccccc1 1P002M2C [0,0,0,0,0,0|3,0,0]=3 31 B8R1.2 CC[n+]1ccccc1 1P00CL4T [0,0,0,0,0,0|3,0,0]=3 32 B8R1.2 CCc1ccccc1 1P0000N2 [0,0,0,0,0,0|2,0,0]=2 33 B8R1.2 CCc1ccccn1 1P0000NJ [0,0,0,0,0,0|1,0,0]=1 34 B8R1.2 CCc1cccnc1 1P00DE9B [0,0,0,0,0,0|1,0,0]=1 35 B8R1.2 CCc1cccnn1 1P00BI37 [0,0,0,0,0,0|2,0,0]=2 36 B8R1.2 CCc1ccncc1 1P003LT3 [0,0,0,0,0,0|3,0,0]=3 37 B8R1.2 CCc1ccncn1 1P0030XP [0,0,0,0,0,0|2,0,0]=2 38 B8R1.2 CCc1cnccn1 1P003HNC [0,0,0,0,0,0|0,0,0]=0 39 B8R1.2 CCc1cncnc1 1P002RAM [0,0,0,0,0,0|2,0,0]=2 40 B8R1.2 CCc1ncccn1 1P00EGF2 [0,0,0,0,0,0|2,0,0]=2 41 B8R1.2 CN=c1nncc[nH]1 1P00FGZ2 [0,0,0,0,0,0|2,0,1]=3 42 B8R1.2 CNc1ccccc1 1P0000NT [0,0,0,0,0,0|3,0,0]=3 43 B8R1.2 CNc1ccccc1 1P003TNS [0,0,0,0,0,0|3,0,0]=3 44 B8R1.2 CNc1ccccn1 1P003TP7 [0,0,0,0,0,0|2,0,0]=2 45 B8R1.2 CNc1cccnc1 1P00289C [0,0,0,0,0,0|2,0,0]=2 46 B8R1.2 CNc1cccnn1 1P00DM46 [0,0,0,0,0,0|3,0,0]=3 47 B8R1.2 CNc1ccncc1 1P007CLZ [0,0,0,0,0,0|4,0,0]=4 48 B8R1.2 CNc1ccncn1 1P00CCF5 [0,0,0,0,0,0|3,0,0]=3 49 B8R1.2 CNc1ccnnc1 1P0035V9 [0,0,0,0,0,0|3,0,0]=3 50 B8R1.2 CNc1cnccn1 1P00CL7Z [0,0,0,0,0,0|1,0,0]=1 51 B8R1.2 CNc1cncnc1 1P00CMNJ [0,0,0,0,0,0|3,0,0]=3 52 B8R1.2 CNc1ncccn1 1P00H1G9 [0,0,0,0,0,0|3,0,0]=3 53 B8R1.2 COc1[c-]nccc1 1P008UE4 [0,0,0,0,0,0|2,0,1]=3 54 B8R1.2 COc1ccccc1 1P0000NO [0,0,0,0,0,0|3,0,0]=3 55 B8R1.2 COc1ccccn1 1P001TWH [0,0,0,0,0,0|2,0,0]=2 56 B8R1.2 COc1cccnc1 1P00347L [0,0,0,0,0,0|2,0,0]=2 57 B8R1.2 COc1cccnn1 1P002F5K [0,0,0,0,0,0|3,0,0]=3 58 B8R1.2 COc1ccncc1 1P003M5N [0,0,0,0,0,0|4,0,0]=4 59 B8R1.2 COc1ccncn1 1P00EFLG [0,0,0,0,0,0|3,0,0]=3 60 B8R1.2 COc1ccnnc1 1P002JGU [0,0,0,0,0,0|3,0,0]=3 61 B8R1.2 COc1cnccn1 1P003I17 [0,0,0,0,0,0|1,0,0]=1 62 B8R1.2 COc1cncnc1 1P00BXRG [0,0,0,0,0,0|3,0,0]=3 63 B8R1.2 COc1ncccn1 1P003I1A [0,0,0,0,0,0|3,0,0]=3 64 B8R1.2 CSc1ccccc1 1P0000NM [0,0,0,0,0,0|3,0,0]=3 65 B8R1.2 CSc1ccccn1 1P00AP6U [0,0,0,0,0,0|2,0,0]=2 66 B8R1.2 CSc1cccnc1 1P002H17 [0,0,0,0,0,0|2,0,0]=2 67 B8R1.2 CSc1ccncc1 1P00CCG6 [0,0,0,0,0,0|4,0,0]=4 68 B8R1.2 CSc1cnccn1 1P003BJ9 [0,0,0,0,0,0|1,0,0]=1 69 B8R1.2 CSc1cncnc1 1P009JCV [0,0,0,0,0,0|3,0,0]=3 70 B8R1.2 CSc1ncccn1 1P00G4ZC [0,0,0,0,0,0|3,0,0]=3 71 B8R1.2 CSc1nccnn1 1P002WQZ [0,0,0,0,0,0|2,0,0]=2 72 B8R1.2 CSc1ncncn1 1P01Q3RJ [0,0,0,0,0,0|4,0,0]=4 73 B8R1.2 C[SiH2]c1ccccc1 1P005JR8 [0,0,0,0,0,0|2,1,0]=3 74 B8R1.2 ClCc1ccccn1 1P0033BZ [0,0,0,0,0,0|2,0,0]=2 75 B8R1.2 ClCc1ccccn1 1P0073L5 [0,0,0,0,0,0|2,0,0]=2 76 B8R1.2 ClCc1cccnc1 1P005WS5 [0,0,0,0,0,0|2,0,0]=2 77 B8R1.2 ClCc1cccnn1 1P00BJDE [0,0,0,0,0,0|3,0,0]=3 78 B8R1.2 ClCc1ccncc1 1P0023Y0 [0,0,0,0,0,0|4,0,0]=4 79 B8R1.2 ClCc1ccncn1 1P00349Y [0,0,0,0,0,0|3,0,0]=3 80 B8R1.2 ClCc1ccnnc1 1P028UKA [0,0,0,0,0,0|3,0,0]=3 81 B8R1.2 ClCc1cnccn1 1P002KZH [0,0,0,0,0,0|1,0,0]=1 82 B8R1.2 ClCc1cncnc1 1P009EMG [0,0,0,0,0,0|3,0,0]=3 83 B8R1.2 ClCc1ncccn1 1P003FHC [0,0,0,0,0,0|3,0,0]=3 84 B8R1.2 ClCc1ncccn1 1P00DEW1 [0,0,0,0,0,0|3,0,0]=3 85 B8R1.2 Cl[Mg]c1ccccc1 1P0000NV [0,0,0,0,0,0|4,0,0]=4 86 B8R1.2 Cl[Se]c1ccccc1 1P0035XY [0,0,0,0,0,0|4,0,0]=4 87 B8R1.2 FCc1cccnc1 1P004R6V [0,0,0,0,0,0|2,0,0]=2 88 B8R1.2 FCc1ccncc1 1P004SSU [0,0,0,0,0,0|4,0,0]=4 89 B8R1.2 ICc1ccccc1 1P0037QF [0,0,0,0,0,0|3,0,0]=3 90 B8R1.2 ICc1cccnc1 1P005TG6 [0,0,0,0,0,0|2,0,0]=2 91 B8R1.2 ICc1ccncc1 1P001AK8 [0,0,0,0,0,0|4,0,0]=4 92 B8R1.2 N#Cc1ccccc1 1P0000MW [0,0,0,0,0,0|3,0,1]=4 93 B8R1.2 N#Cc1ccccc1 1P001LN2 [0,0,0,0,0,0|3,0,1]=4 94 B8R1.2 N#Cc1ccccc1 1P003OQS [0,0,0,0,0,0|3,0,1]=4 95 B8R1.2 N#Cc1ccccn1 1P0000NK [0,0,0,0,0,0|2,0,1]=3 96 B8R1.2 N#Cc1cccnc1 1P0000O0 [0,0,0,0,0,0|2,0,1]=3 97 B8R1.2 N#Cc1ccncn1 1P003LQB [0,0,0,0,0,0|3,0,1]=4 98 B8R1.2 N#Cc1ccnnc1 1P0061S0 [0,0,0,0,0,0|3,0,1]=4 99 B8R1.2 N#Cc1cncnc1 1P003NF6 [0,0,0,0,0,0|3,0,1]=4 100 B8R1.2 N#Cc1ncccn1 1P001D8I [0,0,0,0,0,0|3,0,1]=4 101 B8R1.2 N#[N+]c1ccccc1 1P00CLKS [0,0,0,0,0,0|4,0,0]=4 102 B8R1.2 NCc1ccccc1 1P0000MX [0,0,0,0,0,0|3,0,0]=3 103 B8R1.2 NCc1ccccc1 1P003OLG [0,0,0,0,0,0|3,0,0]=3 104 B8R1.2 NCc1ccccc1 1P00BYUK [0,0,0,0,0,0|3,0,0]=3 105 B8R1.2 NCc1ccccc1 1P00DH5Y [0,0,0,0,0,0|3,0,0]=3 106 B8R1.2 NCc1ccccn1 1P003IDS [0,0,0,0,0,0|2,0,0]=2 107 B8R1.2 NCc1cccnc1 1P003UIR [0,0,0,0,0,0|2,0,0]=2 108 B8R1.2 NCc1cccnc1 1P01XEWA [0,0,0,0,0,0|2,0,0]=2 109 B8R1.2 NCc1cccnn1 1P00GS3J [0,0,0,0,0,0|3,0,0]=3 110 B8R1.2 NCc1cccnn1 1P01JUG1 [0,0,0,0,0,0|3,0,0]=3 111 B8R1.2 NCc1ccncc1 1P0034LV [0,0,0,0,0,0|4,0,0]=4 112 B8R1.2 NCc1ccncc1 1P00ED63 [0,0,0,0,0,0|4,0,0]=4 113 B8R1.2 NCc1ccncn1 1P000A6H [0,0,0,0,0,0|3,0,0]=3 114 B8R1.2 NCc1ccncn1 1P0038A7 [0,0,0,0,0,0|3,0,0]=3 115 B8R1.2 NCc1ccncn1 1P00EMBN [0,0,0,0,0,0|3,0,0]=3 116 B8R1.2 NCc1ccnnc1 1P003AHQ [0,0,0,0,0,0|3,0,0]=3 117 B8R1.2 NCc1ccnnc1 1P006ZTS [0,0,0,0,0,0|3,0,0]=3 118 B8R1.2 NCc1cnccn1 1P002CZT [0,0,0,0,0,0|1,0,0]=1 119 B8R1.2 NCc1cnccn1 1P00397Q [0,0,0,0,0,0|1,0,0]=1 120 B8R1.2 NCc1cncnc1 1P002RBY [0,0,0,0,0,0|3,0,0]=3 121 B8R1.2 NCc1cncnc1 1P00ILSS [0,0,0,0,0,0|3,0,0]=3 122 B8R1.2 NCc1ncccn1 1P001ILN [0,0,0,0,0,0|3,0,0]=3 123 B8R1.2 NCc1ncccn1 1P0033KZ [0,0,0,0,0,0|3,0,0]=3 124 B8R1.2 NCc1ncccn1 1P005HA7 [0,0,0,0,0,0|3,0,0]=3 125 B8R1.2 NCc1nccnc1 1P00HE98 [0,0,0,0,0,0|1,0,0]=1 126 B8R1.2 NNc1ccccc1 1P0000NR [0,0,0,0,0,0|4,0,0]=4 127 B8R1.2 NNc1ccccc1 1P0035XW [0,0,0,0,0,0|4,0,0]=4 128 B8R1.2 NNc1ccccc1 1P003U6F [0,0,0,0,0,0|4,0,0]=4 129 B8R1.2 NNc1ccccn1 1P003HU7 [0,0,0,0,0,0|3,0,0]=3 130 B8R1.2 NNc1ccccn1 1P00DIES [0,0,0,0,0,0|3,0,0]=3 131 B8R1.2 NNc1ccccn1 1P00I9B1 [0,0,0,0,0,0|3,0,0]=3 132 B8R1.2 NNc1cccnc1 1P0037EA [0,0,0,0,0,0|3,0,0]=3 133 B8R1.2 NNc1cccnc1 1P00398X [0,0,0,0,0,0|3,0,0]=3 134 B8R1.2 NNc1cccnc1 1P003JZP [0,0,0,0,0,0|3,0,0]=3 135 B8R1.2 NNc1cccnn1 1P000E2H [0,0,0,0,0,0|4,0,0]=4 136 B8R1.2 NNc1ccncn1 1P003B7Q [0,0,0,0,0,0|4,0,0]=4 137 B8R1.2 NNc1ccncn1 1P01APGO [0,0,0,0,0,0|4,0,0]=4 138 B8R1.2 NNc1ccnnc1 1P028LF6 [0,0,0,0,0,0|4,0,0]=4 139 B8R1.2 NNc1cncnc1 1P01BA7I [0,0,0,0,0,0|4,0,0]=4 140 B8R1.2 NNc1ncccn1 1P0039KN [0,0,0,0,0,0|4,0,0]=4 141 B8R1.2 NNc1ncccn1 1P00J3ST [0,0,0,0,0,0|4,0,0]=4 142 B8R1.2 NNc1nncnn1 1P028G3H [0,0,0,0,0,0|4,0,0]=4 143 B8R1.2 NOc1ccccc1 1P0037K5 [0,0,0,0,0,0|4,0,0]=4 144 B8R1.2 N\N=c/1\cncc[nH]1 1P00394I [0,0,0,0,0,0|2,0,1]=3 145 B8R1.2 O=Cc1ccccn1 1P0033WE [0,0,0,0,0,0|2,0,1]=3 146 B8R1.2 O=Cc1cccnc1 1P00348S [0,0,0,0,0,0|2,0,1]=3 147 B8R1.2 O=Cc1cccnn1 1P00EGBR [0,0,0,0,0,0|3,0,1]=4 148 B8R1.2 O=Cc1ccncn1 1P00360K [0,0,0,0,0,0|3,0,1]=4 149 B8R1.2 O=Cc1ccnnc1 1P0037UD [0,0,0,0,0,0|3,0,1]=4 150 B8R1.2 O=Cc1cnccn1 1P003937 [0,0,0,0,0,0|1,0,1]=2 151 B8R1.2 O=Cc1cncnc1 1P00034V [0,0,0,0,0,0|3,0,1]=4 152 B8R1.2 O=Cc1ncccn1 1P003A3I [0,0,0,0,0,0|3,0,1]=4 153 B8R1.2 O=Nc1ccccc1 1P003AHD [0,0,0,0,0,0|4,0,0]=4 154 B8R1.2 O=Nc1ccccn1 1P004ZQ7 [0,0,0,0,0,0|3,0,0]=3 155 B8R1.2 O=[As]c1ccccc1 1P003U68 [0,0,0,0,0,0|4,0,0]=4 156 B8R1.2 O=[I]c1ccccc1 1P0037R0 [0,0,0,0,0,0|4,0,0]=4 157 B8R1.2 OCc1ccccc1 1P0000MS [0,0,0,0,0,0|3,0,0]=3 158 B8R1.2 OCc1ccccn1 1P003UIQ [0,0,0,0,0,0|2,0,0]=2 159 B8R1.2 OCc1cccnc1 1P0000NZ [0,0,0,0,0,0|2,0,0]=2 160 B8R1.2 OCc1cccnn1 1P0037RV [0,0,0,0,0,0|3,0,0]=3 161 B8R1.2 OCc1ccncc1 1P0034J2 [0,0,0,0,0,0|4,0,0]=4 162 B8R1.2 OCc1ccncc1 1P00IBZH [0,0,0,0,0,0|4,0,0]=4 163 B8R1.2 OCc1ccncn1 1P00BXTK [0,0,0,0,0,0|3,0,0]=3 164 B8R1.2 OCc1ccnnc1 1P00DBTI [0,0,0,0,0,0|3,0,0]=3 165 B8R1.2 OCc1cnccn1 1P0033WD [0,0,0,0,0,0|1,0,0]=1 166 B8R1.2 OCc1cncnc1 1P002RAL [0,0,0,0,0,0|3,0,0]=3 167 B8R1.2 OCc1cncnc1 1P028QCV [0,0,0,0,0,0|3,0,0]=3 168 B8R1.2 OCc1ncccn1 1P003FJF [0,0,0,0,0,0|3,0,0]=3 169 B8R1.2 ONc1ccccc1 1P0000NP [0,0,0,0,0,0|4,0,0]=4 170 B8R1.2 ONc1ccccc1 1P00G4MK [0,0,0,0,0,0|4,0,0]=4 171 B8R1.2 SCc1ccccc1 1P0000O1 [0,0,0,0,0,0|3,0,0]=3 172 B8R1.2 SCc1ccccn1 1P0029Y2 [0,0,0,0,0,0|2,0,0]=2 173 B8R1.2 SCc1cccnc1 1P0024X6 [0,0,0,0,0,0|2,0,0]=2 174 B8R1.2 SCc1ccncc1 1P0023XZ [0,0,0,0,0,0|4,0,0]=4 175 B8R1.2 [C-]#[N+]c1ccccc1 1P006IKG [0,0,0,0,0,0|3,0,1]=4 176 B8R1.2 [Mg+]Cc1ccccc1 1P005L1K [0,0,0,0,0,0|3,0,0]=3 177 B8R1.2 c1ccnnc1C#N 1P00DDD9 [0,0,0,0,0,0|3,0,1]=4 178 B8R1.2 c1nccnc1C#N 1P002BZY [0,0,0,0,0,0|1,0,1]=2 179 B7R1.3 Br[13c]1[13cH][13cH][13cH][13cH][13cH]1 1P008T6V [1,0,0,0,0,0|3,0,0]=4 180 B7R1.3 Brc1cc[c]nc1 1P003MWR [1,0,0,0,0,0|2,0,1]=4 181 B7R1.3 Brc1ccccn1 1P0033NM [1,0,0,0,0,0|2,0,0]=3 182 B7R1.3 Brc1cccnc1 1P00343S [1,0,0,0,0,0|2,0,0]=3 183 B7R1.3 Brc1cccnn1 1P00343R [1,0,0,0,0,0|3,0,0]=4 184 B7R1.3 Brc1ccncn1 1P0039MI [1,0,0,0,0,0|3,0,0]=4 185 B7R1.3 Brc1ccnnc1 1P000WQH [1,0,0,0,0,0|3,0,0]=4 186 B7R1.3 Brc1ccnnc1 1P00171L [1,0,0,0,0,0|3,0,0]=4 187 B7R1.3 Brc1cnccn1 1P0033NL [1,0,0,0,0,0|1,0,0]=2 188 B7R1.3 Brc1cnccn1 1P01ANMT [1,0,0,0,0,0|1,0,0]=2 189 B7R1.3 Brc1cncnc1 1P0034P7 [1,0,0,0,0,0|3,0,0]=4 190 B7R1.3 Brc1ncccn1 1P00I90J [1,0,0,0,0,0|3,0,0]=4 191 B7R1.3 Brc1nncnn1 1P0283W3 [1,0,0,0,0,0|3,0,0]=4 192 B7R1.3 CC1=C=C[N]C=C1 1P008USL [1,0,0,0,0,0|3,0,0]=4 193 B7R1.3 C[n+]1ccccc1 1P003EZK [1,0,0,0,0,0|3,0,0]=4 194 B7R1.3 C[n+]1ccccc1 1P00GUZE [1,0,0,0,0,0|3,0,0]=4 195 B7R1.3 Cc1ccccn1 1P0023GU [1,0,0,0,0,0|1,0,0]=2 196 B7R1.3 Cc1ccccn1 1P0037Z6 [1,0,0,0,0,0|1,0,0]=2 197 B7R1.3 Cc1cccnc1 1P003486 [1,0,0,0,0,0|1,0,0]=2 198 B7R1.3 Cc1cccnn1 1P001UBK [1,0,0,0,0,0|2,0,0]=3 199 B7R1.3 Cc1ccncn1 1P003M9B [1,0,0,0,0,0|2,0,0]=3 200 B7R1.3 Cc1ccnnc1 1P00HCT0 [1,0,0,0,0,0|2,0,0]=3 201 B7R1.3 Cc1cnccn1 1P003I6Y [1,0,0,0,0,0|0,0,0]=1 202 B7R1.3 Cc1cncnc1 1P0029HT [1,0,0,0,0,0|2,0,0]=3 203 B7R1.3 Cc1ncccn1 1P003I70 [1,0,0,0,0,0|2,0,0]=3 204 B7R1.3 Cc1nccnn1 1P00C4US [1,0,0,0,0,0|1,0,0]=2 205 B7R1.3 Clc1c[c-]ccn1 1P008UMS [1,0,0,0,0,0|2,0,0]=3 206 B7R1.3 Clc1ccccc1 1P003522 [1,0,0,0,0,0|3,0,0]=4 207 B7R1.3 Clc1cccnc1 1P003JSA [1,0,0,0,0,0|2,0,0]=3 208 B7R1.3 Clc1cccnn1 1P00345B [1,0,0,0,0,0|3,0,0]=4 209 B7R1.3 Clc1cccnn1 1P003ARR [1,0,0,0,0,0|3,0,0]=4 210 B7R1.3 Clc1ccncn1 1P00276O [1,0,0,0,0,0|3,0,0]=4 211 B7R1.3 Clc1ccncn1 1P0029FC [1,0,0,0,0,0|3,0,0]=4 212 B7R1.3 Clc1ccncn1 1P0038PQ [1,0,0,0,0,0|3,0,0]=4 213 B7R1.3 Clc1ccnnc1 1P000J2M [1,0,0,0,0,0|3,0,0]=4 214 B7R1.3 Clc1ccnnc1 1P007DV7 [1,0,0,0,0,0|3,0,0]=4 215 B7R1.3 Clc1cnccn1 1P001L0E [1,0,0,0,0,0|1,0,0]=2 216 B7R1.3 Clc1cncnc1 1P007DV6 [1,0,0,0,0,0|3,0,0]=4 217 B7R1.3 Clc1n[c]ccn1 1P00DK24 [1,0,0,0,0,0|3,0,0]=4 218 B7R1.3 Clc1ncccn1 1P0033QC [1,0,0,0,0,0|3,0,0]=4 219 B7R1.3 Clc1nncnn1 1P027VF0 [1,0,0,0,0,0|3,0,0]=4 220 B7R1.3 Fc1ccccc1 1P0035E9 [1,0,0,0,0,0|3,0,0]=4 221 B7R1.3 Fc1ccccn1 1P0033SI [1,0,0,0,0,0|2,0,0]=3 222 B7R1.3 Fc1cccnc1 1P003JYE [1,0,0,0,0,0|2,0,0]=3 223 B7R1.3 Fc1cnccn1 1P00D9L3 [1,0,0,0,0,0|1,0,0]=2 224 B7R1.3 Fc1cncnc1 1P0060KF [1,0,0,0,0,0|3,0,0]=4 225 B7R1.3 Fc1ncccn1 1P00I6G6 [1,0,0,0,0,0|3,0,0]=4 226 B7R1.3 Ic1ccccc1 1P0035HS [1,0,0,0,0,0|3,0,0]=4 227 B7R1.3 Ic1ccccn1 1P0036MH [1,0,0,0,0,0|2,0,0]=3 228 B7R1.3 Ic1cccnc1 1P003476 [1,0,0,0,0,0|2,0,0]=3 229 B7R1.3 Ic1cccnn1 1P01BGGD [1,0,0,0,0,0|3,0,0]=4 230 B7R1.3 Ic1ccncn1 1P00CLGQ [1,0,0,0,0,0|3,0,0]=4 231 B7R1.3 Ic1ccnnc1 1P019GH6 [1,0,0,0,0,0|3,0,0]=4 232 B7R1.3 Ic1cnccn1 1P0035HV [1,0,0,0,0,0|1,0,0]=2 233 B7R1.3 Ic1cncnc1 1P0037VD [1,0,0,0,0,0|3,0,0]=4 234 B7R1.3 Ic1ncccn1 1P00C7DI [1,0,0,0,0,0|3,0,0]=4 235 B7R1.3 N[13c]1[13cH][13cH][13cH][13cH][13cH]1 1P0003HD [1,0,0,0,0,0|3,0,0]=4 236 B7R1.3 Nc1ccccc1 1P003OD2 [1,0,0,0,0,0|3,0,0]=4 237 B7R1.3 Nc1ccccc1 1P003OD4 [1,0,0,0,0,0|3,0,0]=4 238 B7R1.3 Nc1ccccc1 1P003OD5 [1,0,0,0,0,0|3,0,0]=4 239 B7R1.3 Nc1ccccc1 1P00DANN [1,0,0,0,0,0|3,0,0]=4 240 B7R1.3 Nc1ccccn1 1P00CMJB [1,0,0,0,0,0|2,0,0]=3 241 B7R1.3 Nc1cccnc1 1P003JEQ [1,0,0,0,0,0|2,0,0]=3 242 B7R1.3 Nc1cccnn1 1P003426 [1,0,0,0,0,0|3,0,0]=4 243 B7R1.3 Nc1cccnn1 1P0089JT [1,0,0,0,0,0|3,0,0]=4 244 B7R1.3 Nc1ccncn1 1P00IAZ2 [1,0,0,0,0,0|3,0,0]=4 245 B7R1.3 Nc1ccnnc1 1P001CGL [1,0,0,0,0,0|3,0,0]=4 246 B7R1.3 Nc1ccnnc1 1P002JIJ [1,0,0,0,0,0|3,0,0]=4 247 B7R1.3 Nc1cnccn1 1P003H0L [1,0,0,0,0,0|1,0,0]=2 248 B7R1.3 Nc1cncnc1 1P0034NO [1,0,0,0,0,0|3,0,0]=4 249 B7R1.3 Nc1cnncn1 1P0050GR [1,0,0,0,0,0|2,0,0]=3 250 B7R1.3 Nc1ncccn1 1P0033L4 [1,0,0,0,0,0|3,0,0]=4 251 B7R1.3 Nc1nccnn1 1P003JAB [1,0,0,0,0,0|2,0,0]=3 252 B7R1.3 O=c1cc[nH]nc1 1P001ZYO [1,0,0,0,0,0|3,0,0]=4 253 B7R1.3 O=c1cccc[nH]1 1P00HWQR [1,0,0,0,0,0|2,0,1]=4 254 B7R1.3 O=c1cccco1 1P003O98 [1,0,0,0,0,0|3,0,0]=4 255 B7R1.3 O=c1cncc[nH]1 1P003HWP [1,0,0,0,0,0|1,0,1]=3 256 B7R1.3 O[13c]1[13cH][13cH][13cH][13cH][13cH]1 1P00GVQD [1,0,0,0,0,0|3,0,0]=4 257 B7R1.3 Oc1ccccc1 1P0000NN [1,0,0,0,0,0|3,0,0]=4 258 B7R1.3 Oc1ccccn1 1P003UF8 [1,0,0,0,0,0|2,0,0]=3 259 B7R1.3 Oc1ccccn1 1P003UIP [1,0,0,0,0,0|2,0,0]=3 260 B7R1.3 Oc1cccnc1 1P003K1M [1,0,0,0,0,0|2,0,0]=3 261 B7R1.3 Oc1cccnn1 1P00DEIH [1,0,0,0,0,0|3,0,0]=4 262 B7R1.3 Oc1ccncn1 1P003M0J [1,0,0,0,0,0|3,0,0]=4 263 B7R1.3 Oc1ccnnc1 1P002JFR [1,0,0,0,0,0|3,0,0]=4 264 B7R1.3 Oc1cnccn1 1P000N6P [1,0,0,0,0,0|1,0,0]=2 265 B7R1.3 Oc1cncnc1 1P002TRI [1,0,0,0,0,0|3,0,0]=4 266 B7R1.3 Oc1ncccn1 1P003HWR [1,0,0,0,0,0|3,0,0]=4 267 B7R1.3 Oc1ncccn1 1P00DGHM [1,0,0,0,0,0|3,0,0]=4 268 B7R1.3 Pc1ccccc1 1P003U5W [1,0,0,0,0,0|3,0,0]=4 269 B7R1.3 S=c1cccc[nH]1 1P002TDH [1,0,0,0,0,0|2,0,1]=4 270 B7R1.3 S=c1cccn[nH]1 1P002W4Y [1,0,0,0,0,0|3,0,0]=4 271 B7R1.3 S=c1nccc[nH]1 1P001KWV [1,0,0,0,0,0|3,0,0]=4 272 B7R1.3 Sc1cccnc1 1P001SU2 [1,0,0,0,0,0|2,0,0]=3 273 B7R1.3 Sc1cnccn1 1P003HZ3 [1,0,0,0,0,0|1,0,0]=2 274 B7R1.3 Sc1ncccn1 1P000W8T [1,0,0,0,0,0|3,0,0]=4 275 B7R1.3 [15NH2]c1ccccc1 1P00FDEF [1,0,0,0,0,0|3,0,0]=4 276 B7R1.3 [NH3+]c1ccccc1 1P00DL00 [1,0,0,0,0,0|3,0,0]=4 277 B7R1.3 [O-][n+]1ccccn1 1P001DSO [1,0,0,0,0,0|3,0,0]=4 278 B7R1.3 [O]c1cncnc1 1P002VWK [1,0,0,0,0,0|3,0,0]=4 279 B7R1.3 [S-]c1ccccc1 1P00BLKE [1,0,0,0,0,0|3,0,0]=4 280 B7R1.3 [SeH]c1ccccc1 1P003U6T [1,0,0,0,0,0|3,0,0]=4 281 B7R1.3 [SiH3]c1ccccc1 1P0039OY [1,0,0,0,0,0|2,1,0]=4 282 B9R1.1 BrCc1ccc(cc1)Br 1P0034EX [0,1,0,0,0,0|3,0,0]=4 283 B9R1.1 BrCc1ccc(cc1)C 1P003M85 [0,1,0,0,0,0|3,0,0]=4 284 B9R1.1 BrCc1ccc(cc1)Cl 1P0036O0 [0,1,0,0,0,0|3,0,0]=4 285 B9R1.1 BrCc1ccc(cc1)F 1P0034I2 [0,1,0,0,0,0|3,0,0]=4 286 B9R1.1 BrCc1ccc(cc1)I 1P001S36 [0,1,0,0,0,0|3,0,0]=4 287 B9R1.1 BrCc1ccc(cc1)N 1P00ED7U [0,1,0,0,0,0|3,0,0]=4 288 B9R1.1 BrCc1ccc(cn1)Br 1P001L4P [0,1,0,0,0,0|2,0,0]=3 289 B9R1.1 BrCc1ccc(cn1)Br 1P00ARJA [0,1,0,0,0,0|2,0,0]=3 290 B9R1.1 BrCc1ccc(cn1)C 1P01KL0I [0,1,0,0,0,0|2,0,0]=3 291 B9R1.1 BrCc1ccc(cn1)Cl 1P001VGA [0,1,0,0,0,0|2,0,0]=3 292 B9R1.1 BrCc1ccc(cn1)Cl 1P00EIVB [0,1,0,0,0,0|2,0,0]=3 293 B9R1.1 BrCc1ccc(cn1)F 1P01BE31 [0,1,0,0,0,0|2,0,0]=3 294 B9R1.1 BrCc1ccc(nc1)Br 1P0006NA [0,1,0,0,0,0|2,0,0]=3 295 B9R1.1 BrCc1ccc(nc1)C 1P003AJ4 [0,1,0,0,0,0|2,0,0]=3 296 B9R1.1 BrCc1ccc(nc1)Cl 1P0024PV [0,1,0,0,0,0|2,0,0]=3 297 B9R1.1 BrCc1ccc(nc1)F 1P008U70 [0,1,0,0,0,0|2,0,0]=3 298 B9R1.1 BrCc1ccc(nc1)F 1P01FTR4 [0,1,0,0,0,0|2,0,0]=3 299 B9R1.1 BrCc1ccc(nc1)N 1P01B29T [0,1,0,0,0,0|2,0,0]=3 300 B9R1.1 BrCc1ccc(nn1)Br 1P002FOS [0,1,0,0,0,0|3,0,0]=4 301 B9R1.1 BrCc1cnc(cn1)Br 1P00HVPQ [0,1,0,0,0,0|1,0,0]=2 302 B9R1.1 BrCc1cnc(nc1)C 1P00G7HX [0,1,0,0,0,0|3,0,0]=4 303 B9R1.1 BrCc1ncc(cn1)Br 1P000J1W [0,1,0,0,0,0|3,0,0]=4 304 B9R1.1 BrCc1ncc(cn1)C 1P01EDQB [0,1,0,0,0,0|3,0,0]=4 305 B9R1.1 BrCc1ncc(cn1)C 1P01XCCN [0,1,0,0,0,0|3,0,0]=4 306 B9R1.1 BrCc1ncc(cn1)F 1P01AMTG [0,1,0,0,0,0|3,0,0]=4 307 B9R1.1 Brc1cnc(cn1)C#N 1P0070KA [0,1,0,0,0,0|1,0,1]=3 308 B9R1.1 Brc1cnc(cn1)C=O 1P009W0Q [0,1,0,0,0,0|1,0,1]=3 309 B9R1.1 C#Cc1ccc(cn1)Br 1P00HCND [0,1,0,0,0,0|1,0,2]=4 310 B9R1.1 C#Cc1ccc(cn1)C 1P0030IR [0,1,0,0,0,0|1,0,2]=4 311 B9R1.1 C#Cc1ccc(cn1)Cl 1P000PRV [0,1,0,0,0,0|1,0,2]=4 312 B9R1.1 C#Cc1ccc(cn1)Cl 1P00IN3G [0,1,0,0,0,0|1,0,2]=4 313 B9R1.1 C#Cc1ccc(cn1)F 1P004HS2 [0,1,0,0,0,0|1,0,2]=4 314 B9R1.1 C#Cc1ccc(cn1)N 1P00A0YZ [0,1,0,0,0,0|1,0,2]=4 315 B9R1.1 C#Cc1ccc(nc1)Br 1P00EFUK [0,1,0,0,0,0|1,0,2]=4 316 B9R1.1 C#Cc1ccc(nc1)C 1P0092A5 [0,1,0,0,0,0|1,0,2]=4 317 B9R1.1 C#Cc1ccc(nc1)C 1P00ARIA [0,1,0,0,0,0|1,0,2]=4 318 B9R1.1 C#Cc1ccc(nc1)Cl 1P002T37 [0,1,0,0,0,0|1,0,2]=4 319 B9R1.1 C#Cc1ccc(nc1)F 1P004L78 [0,1,0,0,0,0|1,0,2]=4 320 B9R1.1 C#Cc1ccc(nc1)N 1P008K1E [0,1,0,0,0,0|1,0,2]=4 321 B9R1.1 C=Cc1ccc(cn1)Br 1P00C2U8 [0,1,0,0,0,0|1,0,2]=4 322 B9R1.1 C=Cc1ccc(cn1)C 1P00BYO4 [0,1,0,0,0,0|1,0,2]=4 323 B9R1.1 C=Cc1ccc(cn1)C 1P0201WE [0,1,0,0,0,0|1,0,2]=4 324 B9R1.1 C=Cc1ccc(cn1)Cl 1P00CGW3 [0,1,0,0,0,0|1,0,2]=4 325 B9R1.1 C=Cc1ccc(nc1)Br 1P01DLDS [0,1,0,0,0,0|1,0,2]=4 326 B9R1.1 C=Cc1ccc(nc1)C 1P001CDY [0,1,0,0,0,0|1,0,2]=4 327 B9R1.1 C=Cc1ccc(nc1)Cl 1P001Q28 [0,1,0,0,0,0|1,0,2]=4 328 B9R1.1 C=Cc1ccc(nc1)Cl 1P028BUU [0,1,0,0,0,0|1,0,2]=4 329 B9R1.1 C=Cc1ccc(nc1)F 1P0008U5 [0,1,0,0,0,0|1,0,2]=4 330 B9R1.1 C=Cc1ccc(nc1)O 1P01DH08 [0,1,0,0,0,0|1,0,2]=4 331 B9R1.1 CC1=CCC(=CC1)CO 1P01DU33 [0,1,0,0,0,0|3,0,0]=4 332 B9R1.1 CC[n+]1ccc(cc1)C 1P0036F3 [0,1,0,0,0,0|3,0,0]=4 333 B9R1.1 CCc1cc[n+](cc1)[O-] 1P003LT4 [0,1,0,0,0,0|3,0,0]=4 334 B9R1.1 CCc1ccc(cc1)Br 1P001QP9 [0,1,0,0,0,0|2,0,0]=3 335 B9R1.1 CCc1ccc(cc1)C 1P003LT6 [0,1,0,0,0,0|2,0,0]=3 336 B9R1.1 CCc1ccc(cc1)Cl 1P00337G [0,1,0,0,0,0|2,0,0]=3 337 B9R1.1 CCc1ccc(cc1)F 1P003ERU [0,1,0,0,0,0|2,0,0]=3 338 B9R1.1 CCc1ccc(cc1)I 1P003ERV [0,1,0,0,0,0|2,0,0]=3 339 B9R1.1 CCc1ccc(cc1)N 1P003LSI [0,1,0,0,0,0|2,0,0]=3 340 B9R1.1 CCc1ccc(cc1)O 1P000KDC [0,1,0,0,0,0|2,0,0]=3 341 B9R1.1 CCc1ccc(cc1)S 1P003LT5 [0,1,0,0,0,0|2,0,0]=3 342 B9R1.1 CCc1ccc(cn1)Br 1P00C7IF [0,1,0,0,0,0|1,0,0]=2 343 B9R1.1 CCc1ccc(cn1)C 1P00235T [0,1,0,0,0,0|1,0,0]=2 344 B9R1.1 CCc1ccc(cn1)Cl 1P000HRE [0,1,0,0,0,0|1,0,0]=2 345 B9R1.1 CCc1ccc(cn1)N 1P000TDY [0,1,0,0,0,0|1,0,0]=2 346 B9R1.1 CCc1ccc(nc1)Br 1P002BZE [0,1,0,0,0,0|1,0,0]=2 347 B9R1.1 CCc1ccc(nc1)C 1P003N6Q [0,1,0,0,0,0|1,0,0]=2 348 B9R1.1 CCc1ccc(nc1)Cl 1P00GVTP [0,1,0,0,0,0|1,0,0]=2 349 B9R1.1 CCc1ccc(nc1)F 1P024ZTD [0,1,0,0,0,0|1,0,0]=2 350 B9R1.1 CCc1ccc(nc1)N 1P002BZF [0,1,0,0,0,0|1,0,0]=2 351 B9R1.1 CCc1ccc(nc1)O 1P00D8JL [0,1,0,0,0,0|1,0,0]=2 352 B9R1.1 CCc1ccc(nn1)N 1P004Q81 [0,1,0,0,0,0|2,0,0]=3 353 B9R1.1 CCc1ccc(nn1)O 1P00E29X [0,1,0,0,0,0|2,0,0]=3 354 B9R1.1 CCc1cnc(cn1)C 1P0036KU [0,1,0,0,0,0|0,0,0]=1 355 B9R1.1 CCc1cnc(cn1)N 1P006ZHR [0,1,0,0,0,0|0,0,0]=1 356 B9R1.1 CCc1cnc(nc1)Br 1P01V5X6 [0,1,0,0,0,0|2,0,0]=3 357 B9R1.1 CCc1cnc(nc1)Cl 1P003HF4 [0,1,0,0,0,0|2,0,0]=3 358 B9R1.1 CCc1cnc(nc1)F 1P027UUX [0,1,0,0,0,0|2,0,0]=3 359 B9R1.1 CCc1cnc(nc1)N 1P00CJFN [0,1,0,0,0,0|2,0,0]=3 360 B9R1.1 CCc1cnc(nc1)O 1P00EYG6 [0,1,0,0,0,0|2,0,0]=3 361 B9R1.1 CCc1ncc(cn1)Br 1P004LIC [0,1,0,0,0,0|2,0,0]=3 362 B9R1.1 CCc1ncc(cn1)N 1P000GYO [0,1,0,0,0,0|2,0,0]=3 363 B9R1.1 CN=c1ccc(c[nH]1)F 1P00IEPB [0,1,0,0,0,0|2,0,1]=4 364 B9R1.1 CN=c1ncc(c[nH]1)Cl 1P00E3SL [0,1,0,0,0,0|3,0,0]=4 365 B9R1.1 CNc1ccc(cc1)C 1P0034AC [0,1,0,0,0,0|3,0,0]=4 366 B9R1.1 CNc1ccc(cc1)Cl 1P003270 [0,1,0,0,0,0|3,0,0]=4 367 B9R1.1 CNc1ccc(cc1)Cl 1P003LO9 [0,1,0,0,0,0|3,0,0]=4 368 B9R1.1 CNc1ccc(cc1)F 1P003LWA [0,1,0,0,0,0|3,0,0]=4 369 B9R1.1 CNc1ccc(cc1)I 1P00IB6M [0,1,0,0,0,0|3,0,0]=4 370 B9R1.1 CNc1ccc(cc1)I 1P019GFT [0,1,0,0,0,0|3,0,0]=4 371 B9R1.1 CNc1ccc(cc1)N 1P00DF30 [0,1,0,0,0,0|3,0,0]=4 372 B9R1.1 CNc1ccc(cc1)N 1P00IBGX [0,1,0,0,0,0|3,0,0]=4 373 B9R1.1 CNc1ccc(cc1)O 1P001MOT [0,1,0,0,0,0|3,0,0]=4 374 B9R1.1 CNc1ccc(cc1)O 1P003M7V [0,1,0,0,0,0|3,0,0]=4 375 B9R1.1 CNc1ccc(cc1)S 1P01BL04 [0,1,0,0,0,0|3,0,0]=4 376 B9R1.1 CNc1ccc(cn1)Br 1P0054DA [0,1,0,0,0,0|2,0,0]=3 377 B9R1.1 CNc1ccc(cn1)C 1P00DKLV [0,1,0,0,0,0|2,0,0]=3 378 B9R1.1 CNc1ccc(cn1)Cl 1P007433 [0,1,0,0,0,0|2,0,0]=3 379 B9R1.1 CNc1ccc(cn1)I 1P00BK8S [0,1,0,0,0,0|2,0,0]=3 380 B9R1.1 CNc1ccc(cn1)N 1P008V2F [0,1,0,0,0,0|2,0,0]=3 381 B9R1.1 CNc1ccc(cn1)N 1P00BEJL [0,1,0,0,0,0|2,0,0]=3 382 B9R1.1 CNc1ccc(cn1)N 1P01FATH [0,1,0,0,0,0|2,0,0]=3 383 B9R1.1 CNc1ccc(nc1)Br 1P00941T [0,1,0,0,0,0|2,0,0]=3 384 B9R1.1 CNc1ccc(nc1)C 1P00943F [0,1,0,0,0,0|2,0,0]=3 385 B9R1.1 CNc1ccc(nc1)Cl 1P008UXG [0,1,0,0,0,0|2,0,0]=3 386 B9R1.1 CNc1ccc(nc1)F 1P00AOFA [0,1,0,0,0,0|2,0,0]=3 387 B9R1.1 CNc1ccc(nc1)N 1P019SL4 [0,1,0,0,0,0|2,0,0]=3 388 B9R1.1 CNc1ccc(nn1)Br 1P008W41 [0,1,0,0,0,0|3,0,0]=4 389 B9R1.1 CNc1ccc(nn1)C 1P01AIY7 [0,1,0,0,0,0|3,0,0]=4 390 B9R1.1 CNc1ccc(nn1)Cl 1P001MB8 [0,1,0,0,0,0|3,0,0]=4 391 B9R1.1 CNc1cnc(cn1)Br 1P00DGIV [0,1,0,0,0,0|1,0,0]=2 392 B9R1.1 CNc1cnc(cn1)C 1P003I46 [0,1,0,0,0,0|1,0,0]=2 393 B9R1.1 CNc1cnc(cn1)Cl 1P01K02E [0,1,0,0,0,0|1,0,0]=2 394 B9R1.1 CNc1ncc(cn1)Br 1P00BZXO [0,1,0,0,0,0|3,0,0]=4 395 B9R1.1 CNc1ncc(cn1)F 1P001U5K [0,1,0,0,0,0|3,0,0]=4 396 B9R1.1 CNc1ncc(cn1)I 1P001UKN [0,1,0,0,0,0|3,0,0]=4 397 B9R1.1 CNc1ncc(cn1)N 1P00HF84 [0,1,0,0,0,0|3,0,0]=4 398 B9R1.1 COc1ccc(=O)[nH]c1 1P00EF6N [0,1,0,0,0,0|2,0,1]=4 399 B9R1.1 COc1ccc(=O)[nH]n1 1P00B4RM [0,1,0,0,0,0|3,0,0]=4 400 B9R1.1 COc1ccc(cc1)Br 1P0039GO [0,1,0,0,0,0|3,0,0]=4 401 B9R1.1 COc1ccc(cc1)C 1P003M7W [0,1,0,0,0,0|3,0,0]=4 402 B9R1.1 COc1ccc(cc1)Cl 1P003LMY [0,1,0,0,0,0|3,0,0]=4 403 B9R1.1 COc1ccc(cc1)F 1P0034HW [0,1,0,0,0,0|3,0,0]=4 404 B9R1.1 COc1ccc(cc1)I 1P003M17 [0,1,0,0,0,0|3,0,0]=4 405 B9R1.1 COc1ccc(cc1)N 1P0028TX [0,1,0,0,0,0|3,0,0]=4 406 B9R1.1 COc1ccc(cc1)N 1P0035WX [0,1,0,0,0,0|3,0,0]=4 407 B9R1.1 COc1ccc(cc1)O 1P001MOS [0,1,0,0,0,0|3,0,0]=4 408 B9R1.1 COc1ccc(cn1)Br 1P003MY9 [0,1,0,0,0,0|2,0,0]=3 409 B9R1.1 COc1ccc(cn1)C 1P0070MX [0,1,0,0,0,0|2,0,0]=3 410 B9R1.1 COc1ccc(cn1)Cl 1P003N3Y [0,1,0,0,0,0|2,0,0]=3 411 B9R1.1 COc1ccc(cn1)F 1P003N7M [0,1,0,0,0,0|2,0,0]=3 412 B9R1.1 COc1ccc(cn1)I 1P0032QK [0,1,0,0,0,0|2,0,0]=3 413 B9R1.1 COc1ccc(cn1)N 1P0033U7 [0,1,0,0,0,0|2,0,0]=3 414 B9R1.1 COc1ccc(cn1)O 1P003954 [0,1,0,0,0,0|2,0,0]=3 415 B9R1.1 COc1ccc(cn1)S 1P01L022 [0,1,0,0,0,0|2,0,0]=3 416 B9R1.1 COc1ccc(nc1)Br 1P0038TC [0,1,0,0,0,0|2,0,0]=3 417 B9R1.1 COc1ccc(nc1)C 1P00IABL [0,1,0,0,0,0|2,0,0]=3 418 B9R1.1 COc1ccc(nc1)Cl 1P001BS1 [0,1,0,0,0,0|2,0,0]=3 419 B9R1.1 COc1ccc(nc1)F 1P00130G [0,1,0,0,0,0|2,0,0]=3 420 B9R1.1 COc1ccc(nc1)I 1P001U9H [0,1,0,0,0,0|2,0,0]=3 421 B9R1.1 COc1ccc(nc1)N 1P0005LO [0,1,0,0,0,0|2,0,0]=3 422 B9R1.1 COc1ccc(nn1)Br 1P001Z6P [0,1,0,0,0,0|3,0,0]=4 423 B9R1.1 COc1ccc(nn1)C 1P00254Z [0,1,0,0,0,0|3,0,0]=4 424 B9R1.1 COc1ccc(nn1)Cl 1P007WL3 [0,1,0,0,0,0|3,0,0]=4 425 B9R1.1 COc1ccc(nn1)F 1P01DZOM [0,1,0,0,0,0|3,0,0]=4 426 B9R1.1 COc1ccc(nn1)I 1P001Z6N [0,1,0,0,0,0|3,0,0]=4 427 B9R1.1 COc1ccc(nn1)N 1P001RI7 [0,1,0,0,0,0|3,0,0]=4 428 B9R1.1 COc1ccc(nn1)N 1P00377J [0,1,0,0,0,0|3,0,0]=4 429 B9R1.1 COc1cnc(cn1)Br 1P0033MJ [0,1,0,0,0,0|1,0,0]=2 430 B9R1.1 COc1cnc(cn1)Cl 1P00BZ0W [0,1,0,0,0,0|1,0,0]=2 431 B9R1.1 COc1cnc(cn1)N 1P003GXX [0,1,0,0,0,0|1,0,0]=2 432 B9R1.1 COc1cnc(nc1)Br 1P0036KE [0,1,0,0,0,0|3,0,0]=4 433 B9R1.1 COc1cnc(nc1)Cl 1P003HFS [0,1,0,0,0,0|3,0,0]=4 434 B9R1.1 COc1cnc(nc1)N 1P009DL2 [0,1,0,0,0,0|3,0,0]=4 435 B9R1.1 COc1ncc(cn1)Br 1P001CEG [0,1,0,0,0,0|3,0,0]=4 436 B9R1.1 COc1ncc(cn1)Cl 1P00BXV7 [0,1,0,0,0,0|3,0,0]=4 437 B9R1.1 COc1ncc(cn1)F 1P00AMWK [0,1,0,0,0,0|3,0,0]=4 438 B9R1.1 COc1ncc(cn1)I 1P00062U [0,1,0,0,0,0|3,0,0]=4 439 B9R1.1 COc1ncc(cn1)N 1P003MU2 [0,1,0,0,0,0|3,0,0]=4 440 B9R1.1 COc1ncc(cn1)O 1P00H58U [0,1,0,0,0,0|3,0,0]=4 441 B9R1.1 COc1ncc(cn1)S 1P01V0GS [0,1,0,0,0,0|3,0,0]=4 442 B9R1.1 COc1ncc(nn1)C 1P01GLRT [0,1,0,0,0,0|2,0,0]=3 443 B9R1.1 CSc1ccc(=O)[nH]n1 1P0285ZR [0,1,0,0,0,0|3,0,0]=4 444 B9R1.1 CSc1ccc(cc1)Br 1P003LHW [0,1,0,0,0,0|3,0,0]=4 445 B9R1.1 CSc1ccc(cc1)C 1P003CD6 [0,1,0,0,0,0|3,0,0]=4 446 B9R1.1 CSc1ccc(cc1)Cl 1P000KDA [0,1,0,0,0,0|3,0,0]=4 447 B9R1.1 CSc1ccc(cc1)F 1P003LX0 [0,1,0,0,0,0|3,0,0]=4 448 B9R1.1 CSc1ccc(cc1)I 1P00BY6Q [0,1,0,0,0,0|3,0,0]=4 449 B9R1.1 CSc1ccc(cc1)N 1P003KPS [0,1,0,0,0,0|3,0,0]=4 450 B9R1.1 CSc1ccc(cc1)O 1P0034AH [0,1,0,0,0,0|3,0,0]=4 451 B9R1.1 CSc1ccc(cc1)S 1P003KQA [0,1,0,0,0,0|3,0,0]=4 452 B9R1.1 CSc1ccc(cn1)Br 1P00D8H6 [0,1,0,0,0,0|2,0,0]=3 453 B9R1.1 CSc1ccc(cn1)N 1P00CFUQ [0,1,0,0,0,0|2,0,0]=3 454 B9R1.1 CSc1ccc(nc1)Br 1P009EF8 [0,1,0,0,0,0|2,0,0]=3 455 B9R1.1 CSc1ccc(nc1)Cl 1P00CKSD [0,1,0,0,0,0|2,0,0]=3 456 B9R1.1 CSc1ccc(nc1)N 1P008P9S [0,1,0,0,0,0|2,0,0]=3 457 B9R1.1 CSc1ccc(nn1)Br 1P000HV7 [0,1,0,0,0,0|3,0,0]=4 458 B9R1.1 CSc1ccc(nn1)Cl 1P005UUE [0,1,0,0,0,0|3,0,0]=4 459 B9R1.1 CSc1cnc(cn1)Br 1P007GKA [0,1,0,0,0,0|1,0,0]=2 460 B9R1.1 CSc1cnc(cn1)N 1P002R50 [0,1,0,0,0,0|1,0,0]=2 461 B9R1.1 CSc1cnc(nc1)Cl 1P000GO4 [0,1,0,0,0,0|3,0,0]=4 462 B9R1.1 CSc1ncc(cn1)Br 1P001CEF [0,1,0,0,0,0|3,0,0]=4 463 B9R1.1 CSc1ncc(cn1)Cl 1P003N2M [0,1,0,0,0,0|3,0,0]=4 464 B9R1.1 CSc1ncc(cn1)F 1P00EDR1 [0,1,0,0,0,0|3,0,0]=4 465 B9R1.1 CSc1ncc(cn1)N 1P003MTM [0,1,0,0,0,0|3,0,0]=4 466 B9R1.1 CSc1ncc(cn1)O 1P003N91 [0,1,0,0,0,0|3,0,0]=4 467 B9R1.1 Cc1ccc(nn1)CBr 1P028FUE [0,1,0,0,0,0|3,0,0]=4 468 B9R1.1 Cc1ccc(nn1)CCl 1P01DWLI [0,1,0,0,0,0|3,0,0]=4 469 B9R1.1 Cc1ccc(nn1)CO 1P004R3E [0,1,0,0,0,0|3,0,0]=4 470 B9R1.1 Cc1ccc(nn1)CO 1P0282HR [0,1,0,0,0,0|3,0,0]=4 471 B9R1.1 Cc1cnc(cn1)C#C 1P008X25 [0,1,0,0,0,0|0,0,2]=3 472 B9R1.1 Cc1cnc(cn1)C#N 1P0037CI [0,1,0,0,0,0|1,0,1]=3 473 B9R1.1 Cc1cnc(cn1)C=C 1P007ZUI [0,1,0,0,0,0|0,0,2]=3 474 B9R1.1 Cc1cnc(cn1)C=O 1P0037UJ [0,1,0,0,0,0|1,0,1]=3 475 B9R1.1 Cc1cnc(cn1)CCl 1P000YCK [0,1,0,0,0,0|1,0,0]=2 476 B9R1.1 Cc1cnc(cn1)CN 1P0011FS [0,1,0,0,0,0|1,0,0]=2 477 B9R1.1 Cc1cnc(cn1)CO 1P00EITF [0,1,0,0,0,0|1,0,0]=2 478 B9R1.1 Cc1cnc(cn1)NN 1P001VP6 [0,1,0,0,0,0|2,0,0]=3 479 B9R1.1 ClCc1ccc(cc1)Br 1P003LG2 [0,1,0,0,0,0|3,0,0]=4 480 B9R1.1 ClCc1ccc(cc1)C 1P007GSP [0,1,0,0,0,0|3,0,0]=4 481 B9R1.1 ClCc1ccc(cc1)Cl 1P0039GP [0,1,0,0,0,0|3,0,0]=4 482 B9R1.1 ClCc1ccc(cc1)F 1P003LVW [0,1,0,0,0,0|3,0,0]=4 483 B9R1.1 ClCc1ccc(cc1)I 1P00DCW1 [0,1,0,0,0,0|3,0,0]=4 484 B9R1.1 ClCc1ccc(cn1)Br 1P001YS4 [0,1,0,0,0,0|2,0,0]=3 485 B9R1.1 ClCc1ccc(cn1)Br 1P0037DA [0,1,0,0,0,0|2,0,0]=3 486 B9R1.1 ClCc1ccc(cn1)C 1P0033Q3 [0,1,0,0,0,0|2,0,0]=3 487 B9R1.1 ClCc1ccc(cn1)Cl 1P0005WP [0,1,0,0,0,0|2,0,0]=3 488 B9R1.1 ClCc1ccc(cn1)Cl 1P000MGX [0,1,0,0,0,0|2,0,0]=3 489 B9R1.1 ClCc1ccc(cn1)F 1P003AH4 [0,1,0,0,0,0|2,0,0]=3 490 B9R1.1 ClCc1ccc(cn1)F 1P01AD1L [0,1,0,0,0,0|2,0,0]=3 491 B9R1.1 ClCc1ccc(nc1)Br 1P001YD1 [0,1,0,0,0,0|2,0,0]=3 492 B9R1.1 ClCc1ccc(nc1)Br 1P0094YF [0,1,0,0,0,0|2,0,0]=3 493 B9R1.1 ClCc1ccc(nc1)C 1P008YVG [0,1,0,0,0,0|2,0,0]=3 494 B9R1.1 ClCc1ccc(nc1)Cl 1P00378I [0,1,0,0,0,0|2,0,0]=3 495 B9R1.1 ClCc1ccc(nc1)F 1P00CMTI [0,1,0,0,0,0|2,0,0]=3 496 B9R1.1 ClCc1ccc(nc1)N 1P01EIRM [0,1,0,0,0,0|2,0,0]=3 497 B9R1.1 ClCc1ccc(nn1)Cl 1P008Y68 [0,1,0,0,0,0|3,0,0]=4 498 B9R1.1 ClCc1ccc(nn1)Cl 1P00ABEF [0,1,0,0,0,0|3,0,0]=4 499 B9R1.1 ClCc1cnc(cn1)Cl 1P00853R [0,1,0,0,0,0|1,0,0]=2 500 B9R1.1 ClCc1cnc(nc1)C 1P009X03 [0,1,0,0,0,0|3,0,0]=4 501 B9R1.1 ClCc1cnc(nc1)Cl 1P001LCU [0,1,0,0,0,0|3,0,0]=4 502 B9R1.1 ClCc1ncc(cn1)C 1P0019M9 [0,1,0,0,0,0|3,0,0]=4 503 B9R1.1 ClCc1ncc(cn1)Cl 1P00HX2D [0,1,0,0,0,0|3,0,0]=4 504 B9R1.1 ClCc1ncc(cn1)F 1P000PR4 [0,1,0,0,0,0|3,0,0]=4 505 B9R1.1 ClCc1ncc(cn1)I 1P028HI8 [0,1,0,0,0,0|3,0,0]=4 506 B9R1.1 Clc1cnc(cn1)C#N 1P0037SL [0,1,0,0,0,0|1,0,1]=3 507 B9R1.1 Clc1cnc(cn1)C=O 1P004AM6 [0,1,0,0,0,0|1,0,1]=3 508 B9R1.1 FCc1ccc(cc1)Br 1P00DL86 [0,1,0,0,0,0|3,0,0]=4 509 B9R1.1 FCc1ccc(nc1)F 1P028KGL [0,1,0,0,0,0|2,0,0]=3 510 B9R1.1 FCc1ncc(cn1)O 1P00HVWZ [0,1,0,0,0,0|3,0,0]=4 511 B9R1.1 Fc1cnc(cn1)C#N 1P019DIC [0,1,0,0,0,0|1,0,1]=3 512 B9R1.1 ICc1ccc(cc1)Br 1P01B2VK [0,1,0,0,0,0|3,0,0]=4 513 B9R1.1 ICc1ccc(cc1)Cl 1P01C1RU [0,1,0,0,0,0|3,0,0]=4 514 B9R1.1 N#Cc1ccc(cn1)Br 1P0034P5 [0,1,0,0,0,0|2,0,1]=4 515 B9R1.1 N#Cc1ccc(cn1)C 1P001T2K [0,1,0,0,0,0|2,0,1]=4 516 B9R1.1 N#Cc1ccc(cn1)Cl 1P003N30 [0,1,0,0,0,0|2,0,1]=4 517 B9R1.1 N#Cc1ccc(cn1)F 1P00BZEG [0,1,0,0,0,0|2,0,1]=4 518 B9R1.1 N#Cc1ccc(cn1)I 1P00CB7O [0,1,0,0,0,0|2,0,1]=4 519 B9R1.1 N#Cc1ccc(cn1)N 1P003MV8 [0,1,0,0,0,0|2,0,1]=4 520 B9R1.1 N#Cc1ccc(cn1)O 1P004PZF [0,1,0,0,0,0|2,0,1]=4 521 B9R1.1 N#Cc1ccc(cn1)S 1P028GQC [0,1,0,0,0,0|2,0,1]=4 522 B9R1.1 N#Cc1ccc(nc1)Br 1P001BRZ [0,1,0,0,0,0|2,0,1]=4 523 B9R1.1 N#Cc1ccc(nc1)C 1P00383W [0,1,0,0,0,0|2,0,1]=4 524 B9R1.1 N#Cc1ccc(nc1)Cl 1P0033OX [0,1,0,0,0,0|2,0,1]=4 525 B9R1.1 N#Cc1ccc(nc1)F 1P0034Q3 [0,1,0,0,0,0|2,0,1]=4 526 B9R1.1 N#Cc1ccc(nc1)I 1P002XMK [0,1,0,0,0,0|2,0,1]=4 527 B9R1.1 N#Cc1ccc(nc1)N 1P00I8N3 [0,1,0,0,0,0|2,0,1]=4 528 B9R1.1 N#Cc1ccc(nc1)O 1P00IJYR [0,1,0,0,0,0|2,0,1]=4 529 B9R1.1 N#Cc1ccc(nc1)S 1P00C2IY [0,1,0,0,0,0|2,0,1]=4 530 B9R1.1 NCc1ccc(=O)[nH]c1 1P003MNG [0,1,0,0,0,0|2,0,1]=4 531 B9R1.1 NCc1ccc(=O)[nH]n1 1P01ANME [0,1,0,0,0,0|3,0,0]=4 532 B9R1.1 NCc1ccc(cc1)Br 1P002SK4 [0,1,0,0,0,0|3,0,0]=4 533 B9R1.1 NCc1ccc(cc1)Br 1P0034EY [0,1,0,0,0,0|3,0,0]=4 534 B9R1.1 NCc1ccc(cc1)C 1P007GSC [0,1,0,0,0,0|3,0,0]=4 535 B9R1.1 NCc1ccc(cc1)Cl 1P0034GM [0,1,0,0,0,0|3,0,0]=4 536 B9R1.1 NCc1ccc(cc1)Cl 1P00CMJJ [0,1,0,0,0,0|3,0,0]=4 537 B9R1.1 NCc1ccc(cc1)F 1P001CDZ [0,1,0,0,0,0|3,0,0]=4 538 B9R1.1 NCc1ccc(cc1)F 1P00FB8G [0,1,0,0,0,0|3,0,0]=4 539 B9R1.1 NCc1ccc(cc1)I 1P003M1E [0,1,0,0,0,0|3,0,0]=4 540 B9R1.1 NCc1ccc(cc1)I 1P003M1F [0,1,0,0,0,0|3,0,0]=4 541 B9R1.1 NCc1ccc(cc1)N 1P003L7R [0,1,0,0,0,0|3,0,0]=4 542 B9R1.1 NCc1ccc(cc1)N 1P00DE7Z [0,1,0,0,0,0|3,0,0]=4 543 B9R1.1 NCc1ccc(cc1)O 1P0002CY [0,1,0,0,0,0|3,0,0]=4 544 B9R1.1 NCc1ccc(cc1)O 1P0069EG [0,1,0,0,0,0|3,0,0]=4 545 B9R1.1 NCc1ccc(cc1)O 1P00GSKB [0,1,0,0,0,0|3,0,0]=4 546 B9R1.1 NCc1ccc(cc1)O 1P00IM7V [0,1,0,0,0,0|3,0,0]=4 547 B9R1.1 NCc1ccc(cc1)S 1P01FKXD [0,1,0,0,0,0|3,0,0]=4 548 B9R1.1 NCc1ccc(cn1)Br 1P000M47 [0,1,0,0,0,0|2,0,0]=3 549 B9R1.1 NCc1ccc(cn1)Br 1P000NSJ [0,1,0,0,0,0|2,0,0]=3 550 B9R1.1 NCc1ccc(cn1)Br 1P001ZTJ [0,1,0,0,0,0|2,0,0]=3 551 B9R1.1 NCc1ccc(cn1)C 1P001W8Q [0,1,0,0,0,0|2,0,0]=3 552 B9R1.1 NCc1ccc(cn1)C 1P00D9BM [0,1,0,0,0,0|2,0,0]=3 553 B9R1.1 NCc1ccc(cn1)C 1P00J1OP [0,1,0,0,0,0|2,0,0]=3 554 B9R1.1 NCc1ccc(cn1)Cl 1P000P3Q [0,1,0,0,0,0|2,0,0]=3 555 B9R1.1 NCc1ccc(cn1)Cl 1P00FB1Q [0,1,0,0,0,0|2,0,0]=3 556 B9R1.1 NCc1ccc(cn1)Cl 1P00GWHG [0,1,0,0,0,0|2,0,0]=3 557 B9R1.1 NCc1ccc(cn1)F 1P003FFL [0,1,0,0,0,0|2,0,0]=3 558 B9R1.1 NCc1ccc(cn1)I 1P027W72 [0,1,0,0,0,0|2,0,0]=3 559 B9R1.1 NCc1ccc(cn1)N 1P0055YJ [0,1,0,0,0,0|2,0,0]=3 560 B9R1.1 NCc1ccc(cn1)N 1P00IHOK [0,1,0,0,0,0|2,0,0]=3 561 B9R1.1 NCc1ccc(cn1)O 1P000XNW [0,1,0,0,0,0|2,0,0]=3 562 B9R1.1 NCc1ccc(cn1)O 1P028RPU [0,1,0,0,0,0|2,0,0]=3 563 B9R1.1 NCc1ccc(nc1)Br 1P000NSI [0,1,0,0,0,0|2,0,0]=3 564 B9R1.1 NCc1ccc(nc1)Br 1P007Q3R [0,1,0,0,0,0|2,0,0]=3 565 B9R1.1 NCc1ccc(nc1)C 1P00EEYH [0,1,0,0,0,0|2,0,0]=3 566 B9R1.1 NCc1ccc(nc1)C 1P00I8VC [0,1,0,0,0,0|2,0,0]=3 567 B9R1.1 NCc1ccc(nc1)Cl 1P00ARA3 [0,1,0,0,0,0|2,0,0]=3 568 B9R1.1 NCc1ccc(nc1)Cl 1P00IKCY [0,1,0,0,0,0|2,0,0]=3 569 B9R1.1 NCc1ccc(nc1)F 1P002ARS [0,1,0,0,0,0|2,0,0]=3 570 B9R1.1 NCc1ccc(nc1)I 1P027Y1N [0,1,0,0,0,0|2,0,0]=3 571 B9R1.1 NCc1ccc(nc1)N 1P001PLB [0,1,0,0,0,0|2,0,0]=3 572 B9R1.1 NCc1ccc(nc1)N 1P00BFS2 [0,1,0,0,0,0|2,0,0]=3 573 B9R1.1 NCc1ccc(nc1)O 1P01AJNO [0,1,0,0,0,0|2,0,0]=3 574 B9R1.1 NCc1ccc(nn1)C 1P00HZBB [0,1,0,0,0,0|3,0,0]=4 575 B9R1.1 NCc1ccc(nn1)Cl 1P001I8T [0,1,0,0,0,0|3,0,0]=4 576 B9R1.1 NCc1ccc(nn1)Cl 1P00GT8M [0,1,0,0,0,0|3,0,0]=4 577 B9R1.1 NCc1cnc(cn1)Br 1P00HV74 [0,1,0,0,0,0|1,0,0]=2 578 B9R1.1 NCc1cnc(cn1)Cl 1P007ELF [0,1,0,0,0,0|1,0,0]=2 579 B9R1.1 NCc1cnc(cn1)Cl 1P01C3G8 [0,1,0,0,0,0|1,0,0]=2 580 B9R1.1 NCc1cnc(cn1)N 1P0290B5 [0,1,0,0,0,0|1,0,0]=2 581 B9R1.1 NCc1cnc(nc1)C 1P009I20 [0,1,0,0,0,0|3,0,0]=4 582 B9R1.1 NCc1cnc(nc1)C 1P01K1SW [0,1,0,0,0,0|3,0,0]=4 583 B9R1.1 NCc1cnc(nc1)Cl 1P000YZP [0,1,0,0,0,0|3,0,0]=4 584 B9R1.1 NCc1cnc(nc1)Cl 1P00H1ER [0,1,0,0,0,0|3,0,0]=4 585 B9R1.1 NCc1cnc(nc1)N 1P00FHHG [0,1,0,0,0,0|3,0,0]=4 586 B9R1.1 NCc1cnc(nc1)S 1P02890I [0,1,0,0,0,0|3,0,0]=4 587 B9R1.1 NCc1ncc(cn1)Br 1P000LY0 [0,1,0,0,0,0|3,0,0]=4 588 B9R1.1 NCc1ncc(cn1)Br 1P000LZU [0,1,0,0,0,0|3,0,0]=4 589 B9R1.1 NCc1ncc(cn1)Br 1P001UCM [0,1,0,0,0,0|3,0,0]=4 590 B9R1.1 NCc1ncc(cn1)C 1P00H3KY [0,1,0,0,0,0|3,0,0]=4 591 B9R1.1 NCc1ncc(cn1)Cl 1P001VZH [0,1,0,0,0,0|3,0,0]=4 592 B9R1.1 NCc1ncc(cn1)F 1P000WN1 [0,1,0,0,0,0|3,0,0]=4 593 B9R1.1 NCc1ncc(nc1)C 1P01JUG0 [0,1,0,0,0,0|1,0,0]=2 594 B9R1.1 NN=c1cnc(c[nH]1)Cl 1P00BIFD [0,1,0,0,0,0|2,0,1]=4 595 B9R1.1 NNc1ccc(cn1)Br 1P003HU6 [0,1,0,0,0,0|3,0,0]=4 596 B9R1.1 NNc1ccc(cn1)C 1P00DEJR [0,1,0,0,0,0|3,0,0]=4 597 B9R1.1 NNc1ccc(cn1)C 1P00HVIX [0,1,0,0,0,0|3,0,0]=4 598 B9R1.1 NNc1ccc(cn1)Cl 1P00BEHW [0,1,0,0,0,0|3,0,0]=4 599 B9R1.1 NNc1ccc(cn1)Cl 1P01K21L [0,1,0,0,0,0|3,0,0]=4 600 B9R1.1 NNc1ccc(cn1)F 1P001DZV [0,1,0,0,0,0|3,0,0]=4 601 B9R1.1 NNc1ccc(cn1)F 1P009X08 [0,1,0,0,0,0|3,0,0]=4 602 B9R1.1 NNc1ccc(nc1)Br 1P000TVP [0,1,0,0,0,0|3,0,0]=4 603 B9R1.1 NNc1ccc(nc1)C 1P003UIV [0,1,0,0,0,0|3,0,0]=4 604 B9R1.1 NNc1ccc(nc1)C 1P028DYO [0,1,0,0,0,0|3,0,0]=4 605 B9R1.1 NNc1ccc(nc1)Cl 1P001DZW [0,1,0,0,0,0|3,0,0]=4 606 B9R1.1 NNc1ccc(nc1)F 1P00H108 [0,1,0,0,0,0|3,0,0]=4 607 B9R1.1 NNc1ccc(nc1)F 1P028K4X [0,1,0,0,0,0|3,0,0]=4 608 B9R1.1 Nc1ccc(nn1)CCl 1P01BSLY [0,1,0,0,0,0|3,0,0]=4 609 B9R1.1 Nc1ccc(nn1)CO 1P01BSN4 [0,1,0,0,0,0|3,0,0]=4 610 B9R1.1 Nc1cnc(cn1)C#C 1P00DM40 [0,1,0,0,0,0|0,0,2]=3 611 B9R1.1 Nc1cnc(cn1)C#N 1P003GXK [0,1,0,0,0,0|1,0,1]=3 612 B9R1.1 Nc1cnc(cn1)C=O 1P01FPZZ [0,1,0,0,0,0|1,0,1]=3 613 B9R1.1 Nc1cnc(cn1)CO 1P01A06C [0,1,0,0,0,0|1,0,0]=2 614 B9R1.1 O=Cc1ccc(cn1)Br 1P003N1J [0,1,0,0,0,0|2,0,1]=4 615 B9R1.1 O=Cc1ccc(cn1)C 1P0037VI [0,1,0,0,0,0|2,0,1]=4 616 B9R1.1 O=Cc1ccc(cn1)Cl 1P0034PX [0,1,0,0,0,0|2,0,1]=4 617 B9R1.1 O=Cc1ccc(cn1)F 1P0036BB [0,1,0,0,0,0|2,0,1]=4 618 B9R1.1 O=Cc1ccc(cn1)N 1P0095PU [0,1,0,0,0,0|2,0,1]=4 619 B9R1.1 O=Cc1ccc(cn1)O 1P00BFVO [0,1,0,0,0,0|2,0,1]=4 620 B9R1.1 O=Cc1ccc(nc1)Br 1P001MI1 [0,1,0,0,0,0|2,0,1]=4 621 B9R1.1 O=Cc1ccc(nc1)C 1P003NRI [0,1,0,0,0,0|2,0,1]=4 622 B9R1.1 O=Cc1ccc(nc1)Cl 1P002MNQ [0,1,0,0,0,0|2,0,1]=4 623 B9R1.1 O=Cc1ccc(nc1)F 1P0036MR [0,1,0,0,0,0|2,0,1]=4 624 B9R1.1 O=Cc1ccc(nc1)N 1P001REZ [0,1,0,0,0,0|2,0,1]=4 625 B9R1.1 O=Cc1ccc(nc1)N 1P00668Q [0,1,0,0,0,0|2,0,1]=4 626 B9R1.1 O=c1cnc(c[nH]1)C#N 1P01DUSL [0,1,0,0,0,0|1,0,2]=4 627 B9R1.1 OCc1ccc(=O)[nH]c1 1P007U3P [0,1,0,0,0,0|2,0,1]=4 628 B9R1.1 OCc1ccc(cc1)Br 1P003LGD [0,1,0,0,0,0|3,0,0]=4 629 B9R1.1 OCc1ccc(cc1)C 1P003M84 [0,1,0,0,0,0|3,0,0]=4 630 B9R1.1 OCc1ccc(cc1)Cl 1P003LNJ [0,1,0,0,0,0|3,0,0]=4 631 B9R1.1 OCc1ccc(cc1)F 1P003LVV [0,1,0,0,0,0|3,0,0]=4 632 B9R1.1 OCc1ccc(cc1)I 1P0024MX [0,1,0,0,0,0|3,0,0]=4 633 B9R1.1 OCc1ccc(cc1)N 1P00IBGW [0,1,0,0,0,0|3,0,0]=4 634 B9R1.1 OCc1ccc(cc1)O 1P0034IT [0,1,0,0,0,0|3,0,0]=4 635 B9R1.1 OCc1ccc(cc1)S 1P0037SK [0,1,0,0,0,0|3,0,0]=4 636 B9R1.1 OCc1ccc(cn1)Br 1P0033TK [0,1,0,0,0,0|2,0,0]=3 637 B9R1.1 OCc1ccc(cn1)C 1P002M2Y [0,1,0,0,0,0|2,0,0]=3 638 B9R1.1 OCc1ccc(cn1)Cl 1P002KQQ [0,1,0,0,0,0|2,0,0]=3 639 B9R1.1 OCc1ccc(cn1)F 1P005O1X [0,1,0,0,0,0|2,0,0]=3 640 B9R1.1 OCc1ccc(cn1)N 1P003MTL [0,1,0,0,0,0|2,0,0]=3 641 B9R1.1 OCc1ccc(cn1)O 1P003AD7 [0,1,0,0,0,0|2,0,0]=3 642 B9R1.1 OCc1ccc(cn1)O 1P028BAO [0,1,0,0,0,0|2,0,0]=3 643 B9R1.1 OCc1ccc(nc1)Br 1P0017JZ [0,1,0,0,0,0|2,0,0]=3 644 B9R1.1 OCc1ccc(nc1)C 1P003N9G [0,1,0,0,0,0|2,0,0]=3 645 B9R1.1 OCc1ccc(nc1)Cl 1P003HFN [0,1,0,0,0,0|2,0,0]=3 646 B9R1.1 OCc1ccc(nc1)F 1P00778N [0,1,0,0,0,0|2,0,0]=3 647 B9R1.1 OCc1ccc(nc1)N 1P008S78 [0,1,0,0,0,0|2,0,0]=3 648 B9R1.1 OCc1ccc(nn1)Cl 1P0004AM [0,1,0,0,0,0|3,0,0]=4 649 B9R1.1 OCc1ccc(nn1)Cl 1P01A7C2 [0,1,0,0,0,0|3,0,0]=4 650 B9R1.1 OCc1ccc(nn1)O 1P01BGJB [0,1,0,0,0,0|3,0,0]=4 651 B9R1.1 OCc1cnc(cn1)Br 1P00FGRP [0,1,0,0,0,0|1,0,0]=2 652 B9R1.1 OCc1cnc(cn1)Cl 1P003HEP [0,1,0,0,0,0|1,0,0]=2 653 B9R1.1 OCc1cnc(nc1)Br 1P01JSMM [0,1,0,0,0,0|3,0,0]=4 654 B9R1.1 OCc1cnc(nc1)C 1P0033UT [0,1,0,0,0,0|3,0,0]=4 655 B9R1.1 OCc1cnc(nc1)Cl 1P008Y6A [0,1,0,0,0,0|3,0,0]=4 656 B9R1.1 OCc1cnc(nc1)N 1P0075NQ [0,1,0,0,0,0|3,0,0]=4 657 B9R1.1 OCc1ncc(cn1)Br 1P0034NW [0,1,0,0,0,0|3,0,0]=4 658 B9R1.1 OCc1ncc(cn1)C 1P00IGSM [0,1,0,0,0,0|3,0,0]=4 659 B9R1.1 OCc1ncc(cn1)Cl 1P003N2J [0,1,0,0,0,0|3,0,0]=4 660 B9R1.1 OCc1ncc(cn1)F 1P000JRN [0,1,0,0,0,0|3,0,0]=4 661 B9R1.1 OCc1ncc(cn1)I 1P028DGG [0,1,0,0,0,0|3,0,0]=4 662 B9R1.1 OCc1ncc(cn1)N 1P024WA6 [0,1,0,0,0,0|3,0,0]=4 663 B9R1.1 Oc1ccc(nn1)CCl 1P028PW7 [0,1,0,0,0,0|3,0,0]=4 664 B9R1.1 SCc1ccc(cc1)Br 1P003LGE [0,1,0,0,0,0|3,0,0]=4 665 B9R1.1 SCc1ccc(cc1)C 1P003M88 [0,1,0,0,0,0|3,0,0]=4 666 B9R1.1 SCc1ccc(cc1)Cl 1P0034GJ [0,1,0,0,0,0|3,0,0]=4 667 B9R1.1 SCc1ccc(cc1)F 1P001RI5 [0,1,0,0,0,0|3,0,0]=4 668 B9R1.1 SCc1ccc(cc1)I 1P028LXK [0,1,0,0,0,0|3,0,0]=4 669 B9R1.2 BrC1=CC=CC(=N1)CN 1P01FWU4 [0,1,0,0,0,0|2,0,0]=3 670 B9R1.2 BrCc1cccc(c1)Br 1P003JKT [0,1,0,0,0,0|3,0,0]=4 671 B9R1.2 BrCc1cccc(c1)C 1P003K7H [0,1,0,0,0,0|3,0,0]=4 672 B9R1.2 BrCc1cccc(c1)Cl 1P003JR7 [0,1,0,0,0,0|3,0,0]=4 673 B9R1.2 BrCc1cccc(c1)F 1P003469 [0,1,0,0,0,0|3,0,0]=4 674 B9R1.2 BrCc1cccc(c1)I 1P003DJ8 [0,1,0,0,0,0|3,0,0]=4 675 B9R1.2 BrCc1cccc(c1)O 1P005WI3 [0,1,0,0,0,0|3,0,0]=4 676 B9R1.2 BrCc1cccc(n1)Br 1P005E9F [0,1,0,0,0,0|2,0,0]=3 677 B9R1.2 BrCc1cccc(n1)Br 1P00D1BM [0,1,0,0,0,0|2,0,0]=3 678 B9R1.2 BrCc1cccc(n1)C 1P003BJ3 [0,1,0,0,0,0|2,0,0]=3 679 B9R1.2 BrCc1cccc(n1)C 1P00EDKW [0,1,0,0,0,0|2,0,0]=3 680 B9R1.2 BrCc1cccc(n1)Cl 1P0039W2 [0,1,0,0,0,0|2,0,0]=3 681 B9R1.2 BrCc1cccc(n1)F 1P0001PJ [0,1,0,0,0,0|2,0,0]=3 682 B9R1.2 BrCc1cccc(n1)I 1P0285UW [0,1,0,0,0,0|2,0,0]=3 683 B9R1.2 BrCc1cccc(n1)N 1P01BD5Y [0,1,0,0,0,0|2,0,0]=3 684 B9R1.2 BrCc1cncc(c1)Br 1P001DTK [0,1,0,0,0,0|2,0,0]=3 685 B9R1.2 BrCc1cncc(c1)Br 1P01A763 [0,1,0,0,0,0|2,0,0]=3 686 B9R1.2 BrCc1nccc(c1)Br 1P0096AI [0,1,0,0,0,0|2,0,0]=3 687 B9R1.2 Brc1cc(C=C)cnc1 1P002FIU [0,1,0,0,0,0|1,0,2]=4 688 B9R1.2 Brc1cc(C=C)ncc1 1P00DMJL [0,1,0,0,0,0|1,0,2]=4 689 B9R1.2 Brc1cc(C=O)cnc1 1P0034P6 [0,1,0,0,0,0|2,0,1]=4 690 B9R1.2 Brc1cc(C=O)ncc1 1P00104V [0,1,0,0,0,0|2,0,1]=4 691 B9R1.2 Brc1cc(cnc1)C#C 1P00GXWD [0,1,0,0,0,0|1,0,2]=4 692 B9R1.2 Brc1cc(cnc1)C#N 1P0034P2 [0,1,0,0,0,0|2,0,1]=4 693 B9R1.2 Brc1cc(ncc1)C#N 1P003HKR [0,1,0,0,0,0|2,0,1]=4 694 B9R1.2 Brc1cncc(n1)C#N 1P004X32 [0,1,0,0,0,0|1,0,1]=3 695 B9R1.2 C#Cc1cccc(n1)Br 1P007219 [0,1,0,0,0,0|1,0,2]=4 696 B9R1.2 C#Cc1cccc(n1)C 1P0030IT [0,1,0,0,0,0|1,0,2]=4 697 B9R1.2 C#Cc1cccc(n1)Cl 1P00GWXF [0,1,0,0,0,0|1,0,2]=4 698 B9R1.2 C#Cc1cccc(n1)F 1P000KSS [0,1,0,0,0,0|1,0,2]=4 699 B9R1.2 C#Cc1cccc(n1)N 1P00BAOZ [0,1,0,0,0,0|1,0,2]=4 700 B9R1.2 C=Cc1cccc(n1)Br 1P006IKD [0,1,0,0,0,0|1,0,2]=4 701 B9R1.2 C=Cc1cccc(n1)C 1P007C8U [0,1,0,0,0,0|1,0,2]=4 702 B9R1.2 C=Cc1cccc(n1)F 1P01DP5U [0,1,0,0,0,0|1,0,2]=4 703 B9R1.2 CC[n+]1cccc(c1)C 1P00337W [0,1,0,0,0,0|3,0,0]=4 704 B9R1.2 CCc1cc(=O)[nH]cn1 1P000N4E [0,1,0,0,0,0|2,0,0]=3 705 B9R1.2 CCc1cc(=O)[nH]nc1 1P00EL0P [0,1,0,0,0,0|2,0,0]=3 706 B9R1.2 CCc1cc(Br)ccn1 1P001PG2 [0,1,0,0,0,0|1,0,0]=2 707 B9R1.2 CCc1cc(Br)cnc1 1P009BLX [0,1,0,0,0,0|1,0,0]=2 708 B9R1.2 CCc1cc(Br)ncn1 1P01AJ42 [0,1,0,0,0,0|2,0,0]=3 709 B9R1.2 CCc1cc(Cl)cnc1 1P01BUJN [0,1,0,0,0,0|1,0,0]=2 710 B9R1.2 CCc1cc(Cl)ncn1 1P001H4U [0,1,0,0,0,0|2,0,0]=3 711 B9R1.2 CCc1cc(Cl)nnc1 1P01DZKU [0,1,0,0,0,0|2,0,0]=3 712 B9R1.2 CCc1cc(N)ccn1 1P00DGSU [0,1,0,0,0,0|1,0,0]=2 713 B9R1.2 CCc1cc(N)cnc1 1P0092A4 [0,1,0,0,0,0|1,0,0]=2 714 B9R1.2 CCc1cc(N)ncn1 1P004UL8 [0,1,0,0,0,0|2,0,0]=3 715 B9R1.2 CCc1cc(O)cnc1 1P01IO5Q [0,1,0,0,0,0|1,0,0]=2 716 B9R1.2 CCc1cc[nH]c(=O)c1 1P01HJV9 [0,1,0,0,0,0|3,0,0]=4 717 B9R1.2 CCc1cccc(c1)C 1P00345O [0,1,0,0,0,0|2,0,0]=3 718 B9R1.2 CCc1cccc(c1)Cl 1P00E960 [0,1,0,0,0,0|2,0,0]=3 719 B9R1.2 CCc1cccc(c1)F 1P005KEQ [0,1,0,0,0,0|2,0,0]=3 720 B9R1.2 CCc1cccc(c1)I 1P002FVF [0,1,0,0,0,0|2,0,0]=3 721 B9R1.2 CCc1cccc(c1)N 1P00345L [0,1,0,0,0,0|2,0,0]=3 722 B9R1.2 CCc1cccc(c1)O 1P003JVD [0,1,0,0,0,0|2,0,0]=3 723 B9R1.2 CCc1cccc(c1)S 1P00EC7S [0,1,0,0,0,0|2,0,0]=3 724 B9R1.2 CCc1cccc(n1)Br 1P00370H [0,1,0,0,0,0|1,0,0]=2 725 B9R1.2 CCc1cccc(n1)C 1P0083JM [0,1,0,0,0,0|1,0,0]=2 726 B9R1.2 CCc1cccc(n1)F 1P00KE64 [0,1,0,0,0,0|1,0,0]=2 727 B9R1.2 CCc1cccc(n1)N 1P003NNZ [0,1,0,0,0,0|1,0,0]=2 728 B9R1.2 CCc1ccnc(c1)Br 1P00IA74 [0,1,0,0,0,0|3,0,0]=4 729 B9R1.2 CCc1ccnc(c1)Cl 1P00C9HG [0,1,0,0,0,0|3,0,0]=4 730 B9R1.2 CCc1ccnc(c1)N 1P00383Q [0,1,0,0,0,0|3,0,0]=4 731 B9R1.2 CCc1ccnc(n1)Cl 1P002HN6 [0,1,0,0,0,0|2,0,0]=3 732 B9R1.2 CCc1ccnc(n1)N 1P0094C6 [0,1,0,0,0,0|2,0,0]=3 733 B9R1.2 CCc1cncc(n1)C 1P003HO1 [0,1,0,0,0,0|0,0,0]=1 734 B9R1.2 CCc1cncc(n1)C 1P00CUFF [0,1,0,0,0,0|0,0,0]=1 735 B9R1.2 CCc1cncc(n1)N 1P006ZHQ [0,1,0,0,0,0|0,0,0]=1 736 B9R1.2 CCc1nc(Cl)ccn1 1P009IDQ [0,1,0,0,0,0|2,0,0]=3 737 B9R1.2 CCc1nc(N)ncn1 1P01A4SB [0,1,0,0,0,0|3,0,0]=4 738 B9R1.2 CCc1nc(O)ccn1 1P00AI8S [0,1,0,0,0,0|2,0,0]=3 739 B9R1.2 CN=c1[nH]ccc(c1)C 1P00DKLU [0,1,0,0,0,0|2,0,1]=4 740 B9R1.2 CNc1cc(=O)[nH]nc1 1P019TGI [0,1,0,0,0,0|3,0,0]=4 741 B9R1.2 CNc1cc(=O)[nH]nc1 1P01EJIK [0,1,0,0,0,0|3,0,0]=4 742 B9R1.2 CNc1cc(Br)ccn1 1P00DKLE [0,1,0,0,0,0|2,0,0]=3 743 B9R1.2 CNc1cc(Br)cnc1 1P003AL0 [0,1,0,0,0,0|2,0,0]=3 744 B9R1.2 CNc1cc(Br)ncn1 1P01AVG3 [0,1,0,0,0,0|3,0,0]=4 745 B9R1.2 CNc1cc(Cl)ccn1 1P00G2NA [0,1,0,0,0,0|2,0,0]=3 746 B9R1.2 CNc1cc(Cl)ncn1 1P00FC0H [0,1,0,0,0,0|3,0,0]=4 747 B9R1.2 CNc1cc(Cl)nnc1 1P01DZC5 [0,1,0,0,0,0|3,0,0]=4 748 B9R1.2 CNc1cc(F)ccn1 1P00A16T [0,1,0,0,0,0|2,0,0]=3 749 B9R1.2 CNc1cc(N)ccn1 1P009X0L [0,1,0,0,0,0|2,0,0]=3 750 B9R1.2 CNc1cc(N)ncn1 1P00FGIG [0,1,0,0,0,0|3,0,0]=4 751 B9R1.2 CNc1cc(O)ncn1 1P0083JN [0,1,0,0,0,0|3,0,0]=4 752 B9R1.2 CNc1cc[nH]c(=O)n1 1P01AG09 [0,1,0,0,0,0|3,0,0]=4 753 B9R1.2 CNc1cccc(c1)Br 1P003TMD [0,1,0,0,0,0|3,0,0]=4 754 B9R1.2 CNc1cccc(c1)Br 1P00FEPZ [0,1,0,0,0,0|3,0,0]=4 755 B9R1.2 CNc1cccc(c1)C 1P003TOM [0,1,0,0,0,0|3,0,0]=4 756 B9R1.2 CNc1cccc(c1)Cl 1P003JRL [0,1,0,0,0,0|3,0,0]=4 757 B9R1.2 CNc1cccc(c1)Cl 1P003JRM [0,1,0,0,0,0|3,0,0]=4 758 B9R1.2 CNc1cccc(c1)F 1P002BI5 [0,1,0,0,0,0|3,0,0]=4 759 B9R1.2 CNc1cccc(c1)F 1P00AN6L [0,1,0,0,0,0|3,0,0]=4 760 B9R1.2 CNc1cccc(c1)I 1P00F5KV [0,1,0,0,0,0|3,0,0]=4 761 B9R1.2 CNc1cccc(c1)I 1P01S6IV [0,1,0,0,0,0|3,0,0]=4 762 B9R1.2 CNc1cccc(c1)N 1P00DKBG [0,1,0,0,0,0|3,0,0]=4 763 B9R1.2 CNc1cccc(c1)O 1P001F0G [0,1,0,0,0,0|3,0,0]=4 764 B9R1.2 CNc1cccc(c1)S 1P028M43 [0,1,0,0,0,0|3,0,0]=4 765 B9R1.2 CNc1cccc(n1)Br 1P0088O5 [0,1,0,0,0,0|2,0,0]=3 766 B9R1.2 CNc1cccc(n1)C 1P01AJJZ [0,1,0,0,0,0|2,0,0]=3 767 B9R1.2 CNc1cccc(n1)Cl 1P00437Y [0,1,0,0,0,0|2,0,0]=3 768 B9R1.2 CNc1cccc(n1)F 1P00CLTI [0,1,0,0,0,0|2,0,0]=3 769 B9R1.2 CNc1cccc(n1)N 1P00GALK [0,1,0,0,0,0|2,0,0]=3 770 B9R1.2 CNc1cccc(n1)O 1P00BU94 [0,1,0,0,0,0|2,0,0]=3 771 B9R1.2 CNc1ccnc(n1)Br 1P01KKQM [0,1,0,0,0,0|3,0,0]=4 772 B9R1.2 CNc1ccnc(n1)C 1P00D1QH [0,1,0,0,0,0|3,0,0]=4 773 B9R1.2 CNc1ccnc(n1)Cl 1P00FB90 [0,1,0,0,0,0|3,0,0]=4 774 B9R1.2 CNc1cncc(c1)C 1P01KHHK [0,1,0,0,0,0|2,0,0]=3 775 B9R1.2 CNc1cncc(n1)Br 1P00J2W5 [0,1,0,0,0,0|1,0,0]=2 776 B9R1.2 CNc1cncc(n1)C 1P00IG75 [0,1,0,0,0,0|1,0,0]=2 777 B9R1.2 CNc1cncc(n1)Cl 1P008GPP [0,1,0,0,0,0|1,0,0]=2 778 B9R1.2 CNc1nc(Br)ccn1 1P0074X3 [0,1,0,0,0,0|3,0,0]=4 779 B9R1.2 CNc1nc(Cl)ccn1 1P00C1MU [0,1,0,0,0,0|3,0,0]=4 780 B9R1.2 CNc1nc(N)ccn1 1P00C1RI [0,1,0,0,0,0|3,0,0]=4 781 B9R1.2 CNc1nccc(c1)C 1P019S75 [0,1,0,0,0,0|2,0,0]=3 782 B9R1.2 CNc1nccc(n1)C 1P00B5G7 [0,1,0,0,0,0|3,0,0]=4 783 B9R1.2 CNc1ncnc(c1)C 1P00E31Y [0,1,0,0,0,0|3,0,0]=4 784 B9R1.2 COc1cc(=O)[nH]cn1 1P00EYFD [0,1,0,0,0,0|3,0,0]=4 785 B9R1.2 COc1cc(=O)[nH]nc1 1P000LEQ [0,1,0,0,0,0|3,0,0]=4 786 B9R1.2 COc1cc(Br)ccn1 1P00027I [0,1,0,0,0,0|2,0,0]=3 787 B9R1.2 COc1cc(Br)cnc1 1P003JJQ [0,1,0,0,0,0|2,0,0]=3 788 B9R1.2 COc1cc(Br)ncn1 1P005LBC [0,1,0,0,0,0|3,0,0]=4 789 B9R1.2 COc1cc(Cl)ccn1 1P0033U6 [0,1,0,0,0,0|2,0,0]=3 790 B9R1.2 COc1cc(Cl)cnc1 1P005XEU [0,1,0,0,0,0|2,0,0]=3 791 B9R1.2 COc1cc(Cl)ncn1 1P002TQW [0,1,0,0,0,0|3,0,0]=4 792 B9R1.2 COc1cc(Cl)nnc1 1P000LEP [0,1,0,0,0,0|3,0,0]=4 793 B9R1.2 COc1cc(F)ccn1 1P00360G [0,1,0,0,0,0|2,0,0]=3 794 B9R1.2 COc1cc(F)cnc1 1P007ELO [0,1,0,0,0,0|2,0,0]=3 795 B9R1.2 COc1cc(F)ncn1 1P00E2DV [0,1,0,0,0,0|3,0,0]=4 796 B9R1.2 COc1cc(I)ccn1 1P0034JF [0,1,0,0,0,0|2,0,0]=3 797 B9R1.2 COc1cc(I)cnc1 1P003K23 [0,1,0,0,0,0|2,0,0]=3 798 B9R1.2 COc1cc(I)ncn1 1P00APKX [0,1,0,0,0,0|3,0,0]=4 799 B9R1.2 COc1cc(N)ccn1 1P0034CU [0,1,0,0,0,0|2,0,0]=3 800 B9R1.2 COc1cc(N)cnc1 1P003JDA [0,1,0,0,0,0|2,0,0]=3 801 B9R1.2 COc1cc(N)ncn1 1P00ICF2 [0,1,0,0,0,0|3,0,0]=4 802 B9R1.2 COc1cc(O)ccn1 1P00FCFK [0,1,0,0,0,0|2,0,0]=3 803 B9R1.2 COc1cc(O)cnc1 1P003NB5 [0,1,0,0,0,0|2,0,0]=3 804 B9R1.2 COc1cc(S)ccn1 1P028W86 [0,1,0,0,0,0|2,0,0]=3 805 B9R1.2 COc1cccc(=O)[nH]1 1P00BEPL [0,1,0,0,0,0|2,0,1]=4 806 B9R1.2 COc1cccc(c1)Br 1P003JKL [0,1,0,0,0,0|3,0,0]=4 807 B9R1.2 COc1cccc(c1)C 1P0000OJ [0,1,0,0,0,0|3,0,0]=4 808 B9R1.2 COc1cccc(c1)Cl 1P003JQZ [0,1,0,0,0,0|3,0,0]=4 809 B9R1.2 COc1cccc(c1)F 1P003JXQ [0,1,0,0,0,0|3,0,0]=4 810 B9R1.2 COc1cccc(c1)I 1P003K27 [0,1,0,0,0,0|3,0,0]=4 811 B9R1.2 COc1cccc(c1)N 1P003RX0 [0,1,0,0,0,0|3,0,0]=4 812 B9R1.2 COc1cccc(c1)N 1P00IA0Z [0,1,0,0,0,0|3,0,0]=4 813 B9R1.2 COc1cccc(c1)O 1P001MO6 [0,1,0,0,0,0|3,0,0]=4 814 B9R1.2 COc1cccc(c1)S 1P001OLM [0,1,0,0,0,0|3,0,0]=4 815 B9R1.2 COc1cccc(n1)Br 1P003H7O [0,1,0,0,0,0|2,0,0]=3 816 B9R1.2 COc1cccc(n1)C 1P003I0A [0,1,0,0,0,0|2,0,0]=3 817 B9R1.2 COc1cccc(n1)Cl 1P0033PJ [0,1,0,0,0,0|2,0,0]=3 818 B9R1.2 COc1cccc(n1)F 1P000CH1 [0,1,0,0,0,0|2,0,0]=3 819 B9R1.2 COc1cccc(n1)I 1P00240L [0,1,0,0,0,0|2,0,0]=3 820 B9R1.2 COc1cccc(n1)N 1P0027BO [0,1,0,0,0,0|2,0,0]=3 821 B9R1.2 COc1ccnc(n1)Br 1P00H7YB [0,1,0,0,0,0|3,0,0]=4 822 B9R1.2 COc1ccnc(n1)C 1P005RCN [0,1,0,0,0,0|3,0,0]=4 823 B9R1.2 COc1ccnc(n1)Cl 1P007OST [0,1,0,0,0,0|3,0,0]=4 824 B9R1.2 COc1ccnc(n1)F 1P00772D [0,1,0,0,0,0|3,0,0]=4 825 B9R1.2 COc1ccnc(n1)I 1P002SUG [0,1,0,0,0,0|3,0,0]=4 826 B9R1.2 COc1ccnc(n1)N 1P001O07 [0,1,0,0,0,0|3,0,0]=4 827 B9R1.2 COc1cncc(n1)Br 1P006RQE [0,1,0,0,0,0|1,0,0]=2 828 B9R1.2 COc1cncc(n1)C 1P002X48 [0,1,0,0,0,0|1,0,0]=2 829 B9R1.2 COc1cncc(n1)Cl 1P007GOB [0,1,0,0,0,0|1,0,0]=2 830 B9R1.2 COc1cncc(n1)I 1P00EA5I [0,1,0,0,0,0|1,0,0]=2 831 B9R1.2 COc1cncc(n1)N 1P003NQM [0,1,0,0,0,0|1,0,0]=2 832 B9R1.2 COc1nc(Br)ccn1 1P00H6PR [0,1,0,0,0,0|3,0,0]=4 833 B9R1.2 COc1nc(Cl)ccn1 1P00388H [0,1,0,0,0,0|3,0,0]=4 834 B9R1.2 COc1nc(N)ccn1 1P00C823 [0,1,0,0,0,0|3,0,0]=4 835 B9R1.2 COc1nccc(=O)[nH]1 1P006VNT [0,1,0,0,0,0|3,0,0]=4 836 B9R1.2 COc1nccc(c1)C 1P0003HE [0,1,0,0,0,0|2,0,0]=3 837 B9R1.2 COc1nccc(n1)C 1P001CEL [0,1,0,0,0,0|3,0,0]=4 838 B9R1.2 COc1nncc(c1)Cl 1P01XFP3 [0,1,0,0,0,0|3,0,0]=4 839 B9R1.2 COc1nncc(c1)N 1P01QHU7 [0,1,0,0,0,0|3,0,0]=4 840 B9R1.2 CSc1cc(Br)cnc1 1P007ZGD [0,1,0,0,0,0|2,0,0]=3 841 B9R1.2 CSc1cc(Br)ncn1 1P0094GP [0,1,0,0,0,0|3,0,0]=4 842 B9R1.2 CSc1cc(Cl)ccn1 1P00CL7Q [0,1,0,0,0,0|2,0,0]=3 843 B9R1.2 CSc1cc(Cl)ncn1 1P003LMD [0,1,0,0,0,0|3,0,0]=4 844 B9R1.2 CSc1cc(I)ncn1 1P00IG1J [0,1,0,0,0,0|3,0,0]=4 845 B9R1.2 CSc1cc(N)ccn1 1P003L4L [0,1,0,0,0,0|2,0,0]=3 846 B9R1.2 CSc1cc(N)ccn1 1P01BV4Y [0,1,0,0,0,0|2,0,0]=3 847 B9R1.2 CSc1cc(N)cnc1 1P00CGZQ [0,1,0,0,0,0|2,0,0]=3 848 B9R1.2 CSc1cc(N)ncn1 1P0029LA [0,1,0,0,0,0|3,0,0]=4 849 B9R1.2 CSc1cc(O)ccn1 1P01EMTA [0,1,0,0,0,0|2,0,0]=3 850 B9R1.2 CSc1cccc(c1)Br 1P003JLZ [0,1,0,0,0,0|3,0,0]=4 851 B9R1.2 CSc1cccc(c1)Cl 1P003JSF [0,1,0,0,0,0|3,0,0]=4 852 B9R1.2 CSc1cccc(c1)F 1P003JYJ [0,1,0,0,0,0|3,0,0]=4 853 B9R1.2 CSc1cccc(c1)I 1P000UUQ [0,1,0,0,0,0|3,0,0]=4 854 B9R1.2 CSc1cccc(c1)N 1P0026DI [0,1,0,0,0,0|3,0,0]=4 855 B9R1.2 CSc1cccc(c1)O 1P00C8UY [0,1,0,0,0,0|3,0,0]=4 856 B9R1.2 CSc1cccc(n1)Br 1P005ECU [0,1,0,0,0,0|2,0,0]=3 857 B9R1.2 CSc1cccc(n1)Cl 1P005QNO [0,1,0,0,0,0|2,0,0]=3 858 B9R1.2 CSc1cccc(n1)N 1P01BBLS [0,1,0,0,0,0|2,0,0]=3 859 B9R1.2 CSc1ccnc(n1)Cl 1P00DEZR [0,1,0,0,0,0|3,0,0]=4 860 B9R1.2 CSc1ccnc(n1)I 1P01DXLN [0,1,0,0,0,0|3,0,0]=4 861 B9R1.2 CSc1ccnc(n1)N 1P00856J [0,1,0,0,0,0|3,0,0]=4 862 B9R1.2 CSc1cncc(c1)N 1P01C2IP [0,1,0,0,0,0|2,0,0]=3 863 B9R1.2 CSc1cncc(n1)Cl 1P00EK8M [0,1,0,0,0,0|1,0,0]=2 864 B9R1.2 CSc1cncc(n1)N 1P00D00M [0,1,0,0,0,0|1,0,0]=2 865 B9R1.2 CSc1nc(=O)cn[nH]1 1P0022MI [0,1,0,0,0,0|2,0,0]=3 866 B9R1.2 CSc1nc(Br)ccn1 1P00IJZN [0,1,0,0,0,0|3,0,0]=4 867 B9R1.2 CSc1nc(Cl)ccn1 1P006YDL [0,1,0,0,0,0|3,0,0]=4 868 B9R1.2 CSc1nc(I)ccn1 1P007C8S [0,1,0,0,0,0|3,0,0]=4 869 B9R1.2 CSc1nc(N)ccn1 1P006ZL8 [0,1,0,0,0,0|3,0,0]=4 870 B9R1.2 CSc1nccc(=O)[nH]1 1P003FKH [0,1,0,0,0,0|3,0,0]=4 871 B9R1.2 CSc1nccc(n1)C 1P001CEI [0,1,0,0,0,0|3,0,0]=4 872 B9R1.2 CSc1nncc(n1)C 1P021CKC [0,1,0,0,0,0|2,0,0]=3 873 B9R1.2 Cc1cc(C=C)cnc1 1P00DF2A [0,1,0,0,0,0|1,0,2]=4 874 B9R1.2 Cc1cc(C=C)ncc1 1P001BT8 [0,1,0,0,0,0|1,0,2]=4 875 B9R1.2 Cc1cc(C=O)cnc1 1P0003MU [0,1,0,0,0,0|2,0,1]=4 876 B9R1.2 Cc1cc(C=O)ncc1 1P003M99 [0,1,0,0,0,0|2,0,1]=4 877 B9R1.2 Cc1cc(CBr)cnc1 1P000L78 [0,1,0,0,0,0|2,0,0]=3 878 B9R1.2 Cc1cc(CCl)cnc1 1P00035F [0,1,0,0,0,0|2,0,0]=3 879 B9R1.2 Cc1cc(CCl)ncc1 1P005R6Z [0,1,0,0,0,0|2,0,0]=3 880 B9R1.2 Cc1cc(CCl)ncn1 1P019D0O [0,1,0,0,0,0|3,0,0]=4 881 B9R1.2 Cc1cc(CN)cnc1 1P0055YH [0,1,0,0,0,0|2,0,0]=3 882 B9R1.2 Cc1cc(CN)cnc1 1P00HXPI [0,1,0,0,0,0|2,0,0]=3 883 B9R1.2 Cc1cc(CN)ncc1 1P000P3N [0,1,0,0,0,0|2,0,0]=3 884 B9R1.2 Cc1cc(CN)ncc1 1P000U56 [0,1,0,0,0,0|2,0,0]=3 885 B9R1.2 Cc1cc(CN)ncn1 1P00K0GF [0,1,0,0,0,0|3,0,0]=4 886 B9R1.2 Cc1cc(CO)cnc1 1P00071U [0,1,0,0,0,0|2,0,0]=3 887 B9R1.2 Cc1cc(CO)cnc1 1P028PCG [0,1,0,0,0,0|2,0,0]=3 888 B9R1.2 Cc1cc(CO)ncc1 1P00BYNN [0,1,0,0,0,0|2,0,0]=3 889 B9R1.2 Cc1cc(CO)ncn1 1P005K5A [0,1,0,0,0,0|3,0,0]=4 890 B9R1.2 Cc1cc(NN)ncc1 1P007151 [0,1,0,0,0,0|3,0,0]=4 891 B9R1.2 Cc1cc(NN)ncc1 1P00J3E9 [0,1,0,0,0,0|3,0,0]=4 892 B9R1.2 Cc1cc(cnc1)C#C 1P0030IW [0,1,0,0,0,0|1,0,2]=4 893 B9R1.2 Cc1cc(cnc1)C#N 1P00345F [0,1,0,0,0,0|2,0,1]=4 894 B9R1.2 Cc1cc(ncc1)C#C 1P0030IV [0,1,0,0,0,0|1,0,2]=4 895 B9R1.2 Cc1cc(ncc1)C#N 1P001T2L [0,1,0,0,0,0|2,0,1]=4 896 B9R1.2 Cc1ccnc(n1)CCl 1P005Q7E [0,1,0,0,0,0|3,0,0]=4 897 B9R1.2 Cc1ccnc(n1)CN 1P0026AY [0,1,0,0,0,0|3,0,0]=4 898 B9R1.2 Cc1ccnc(n1)CO 1P007LEM [0,1,0,0,0,0|3,0,0]=4 899 B9R1.2 Cc1cncc(n1)C#N 1P007N4S [0,1,0,0,0,0|1,0,1]=3 900 B9R1.2 Cc1cncc(n1)C=C 1P007LEI [0,1,0,0,0,0|0,0,2]=3 901 B9R1.2 Cc1cncc(n1)C=O 1P000DN6 [0,1,0,0,0,0|1,0,1]=3 902 B9R1.2 Cc1cncc(n1)CN 1P01DX7K [0,1,0,0,0,0|1,0,0]=2 903 B9R1.2 Cc1cncc(n1)NN 1P002C0W [0,1,0,0,0,0|2,0,0]=3 904 B9R1.2 ClCc1cc(Br)ccn1 1P0001KM [0,1,0,0,0,0|2,0,0]=3 905 B9R1.2 ClCc1cc(Br)cnc1 1P003JJ4 [0,1,0,0,0,0|2,0,0]=3 906 B9R1.2 ClCc1cc(Br)cnc1 1P007QU3 [0,1,0,0,0,0|2,0,0]=3 907 B9R1.2 ClCc1ccc[n+](c1)[O-] 1P004XG3 [0,1,0,0,0,0|2,0,1]=4 908 B9R1.2 ClCc1cccc(c1)Br 1P003JKU [0,1,0,0,0,0|3,0,0]=4 909 B9R1.2 ClCc1cccc(c1)C 1P003K7I [0,1,0,0,0,0|3,0,0]=4 910 B9R1.2 ClCc1cccc(c1)Cl 1P0034WS [0,1,0,0,0,0|3,0,0]=4 911 B9R1.2 ClCc1cccc(c1)F 1P003JXZ [0,1,0,0,0,0|3,0,0]=4 912 B9R1.2 ClCc1cccc(c1)I 1P00EE36 [0,1,0,0,0,0|3,0,0]=4 913 B9R1.2 ClCc1cccc(c1)N 1P01ALW2 [0,1,0,0,0,0|3,0,0]=4 914 B9R1.2 ClCc1cccc(c1)O 1P00EE37 [0,1,0,0,0,0|3,0,0]=4 915 B9R1.2 ClCc1cccc(n1)Br 1P003H76 [0,1,0,0,0,0|2,0,0]=3 916 B9R1.2 ClCc1cccc(n1)C 1P0032BK [0,1,0,0,0,0|2,0,0]=3 917 B9R1.2 ClCc1cccc(n1)C 1P0032BL [0,1,0,0,0,0|2,0,0]=3 918 B9R1.2 ClCc1cccc(n1)Cl 1P003HGJ [0,1,0,0,0,0|2,0,0]=3 919 B9R1.2 ClCc1cccc(n1)F 1P00BYN9 [0,1,0,0,0,0|2,0,0]=3 920 B9R1.2 ClCc1ccnc(n1)C 1P00H1HD [0,1,0,0,0,0|3,0,0]=4 921 B9R1.2 ClCc1ccnc(n1)Cl 1P003HD0 [0,1,0,0,0,0|3,0,0]=4 922 B9R1.2 ClCc1cncc(c1)Cl 1P00G8NV [0,1,0,0,0,0|2,0,0]=3 923 B9R1.2 ClCc1cncc(n1)Cl 1P028WTI [0,1,0,0,0,0|1,0,0]=2 924 B9R1.2 ClCc1nccc(=O)[nH]1 1P006ARJ [0,1,0,0,0,0|3,0,0]=4 925 B9R1.2 ClCc1nccc(c1)Cl 1P0005WR [0,1,0,0,0,0|2,0,0]=3 926 B9R1.2 ClCc1nccc(c1)Cl 1P000J59 [0,1,0,0,0,0|2,0,0]=3 927 B9R1.2 ClCc1nccc(n1)Cl 1P00CJFG [0,1,0,0,0,0|3,0,0]=4 928 B9R1.2 ClCc1ncnc(c1)Cl 1P004NYS [0,1,0,0,0,0|3,0,0]=4 929 B9R1.2 Clc1cc(C=C)ncc1 1P0068T3 [0,1,0,0,0,0|1,0,2]=4 930 B9R1.2 Clc1cc(C=O)cnc1 1P007RRE [0,1,0,0,0,0|2,0,1]=4 931 B9R1.2 Clc1cc(C=O)ncc1 1P003LP1 [0,1,0,0,0,0|2,0,1]=4 932 B9R1.2 Clc1cc(CBr)cnc1 1P01B78L [0,1,0,0,0,0|2,0,0]=3 933 B9R1.2 Clc1cc(CBr)ncc1 1P01E7ZN [0,1,0,0,0,0|2,0,0]=3 934 B9R1.2 Clc1cc(cnc1)C#C 1P00BZEM [0,1,0,0,0,0|1,0,2]=4 935 B9R1.2 Clc1cc(cnc1)C#N 1P0034PN [0,1,0,0,0,0|2,0,1]=4 936 B9R1.2 Clc1cc(ncc1)C#N 1P002GC7 [0,1,0,0,0,0|2,0,1]=4 937 B9R1.2 Clc1cncc(n1)C#N 1P0034TI [0,1,0,0,0,0|1,0,1]=3 938 B9R1.2 Clc1cncc(n1)C=O 1P0036SL [0,1,0,0,0,0|1,0,1]=3 939 B9R1.2 FCc1cccc(c1)Br 1P01JKXE [0,1,0,0,0,0|3,0,0]=4 940 B9R1.2 FCc1cccc(c1)I 1P01C30N [0,1,0,0,0,0|3,0,0]=4 941 B9R1.2 FCc1cccc(c1)N 1P003IOW [0,1,0,0,0,0|3,0,0]=4 942 B9R1.2 FCc1cccc(n1)Br 1P004RYQ [0,1,0,0,0,0|2,0,0]=3 943 B9R1.2 Fc1cc(C=C)cnc1 1P0008U4 [0,1,0,0,0,0|1,0,2]=4 944 B9R1.2 Fc1cc(C=C)ncc1 1P028XRN [0,1,0,0,0,0|1,0,2]=4 945 B9R1.2 Fc1cc(C=O)cnc1 1P00778O [0,1,0,0,0,0|2,0,1]=4 946 B9R1.2 Fc1cc(C=O)cnc1 1P01AG2V [0,1,0,0,0,0|2,0,1]=4 947 B9R1.2 Fc1cc(C=O)ncc1 1P008ZJK [0,1,0,0,0,0|2,0,1]=4 948 B9R1.2 Fc1cc(CBr)cnc1 1P009I3P [0,1,0,0,0,0|2,0,0]=3 949 B9R1.2 Fc1cc(CBr)ncc1 1P01KLG4 [0,1,0,0,0,0|2,0,0]=3 950 B9R1.2 Fc1cc(CCl)cnc1 1P0017GY [0,1,0,0,0,0|2,0,0]=3 951 B9R1.2 Fc1cc(CCl)ncc1 1P01BJOB [0,1,0,0,0,0|2,0,0]=3 952 B9R1.2 Fc1cc(cnc1)C#C 1P00GWPO [0,1,0,0,0,0|1,0,2]=4 953 B9R1.2 Fc1cc(cnc1)C#N 1P00371W [0,1,0,0,0,0|2,0,1]=4 954 B9R1.2 Fc1cc(ncc1)C#C 1P01KL8L [0,1,0,0,0,0|1,0,2]=4 955 B9R1.2 Fc1cc(ncc1)C#N 1P008H6V [0,1,0,0,0,0|2,0,1]=4 956 B9R1.2 Fc1cncc(n1)C#N 1P00CMW6 [0,1,0,0,0,0|1,0,1]=3 957 B9R1.2 ICc1cccc(c1)Cl 1P005V3N [0,1,0,0,0,0|3,0,0]=4 958 B9R1.2 Ic1cc(C=O)cnc1 1P004H9C [0,1,0,0,0,0|2,0,1]=4 959 B9R1.2 N#Cc1cccc(n1)Br 1P000K8B [0,1,0,0,0,0|2,0,1]=4 960 B9R1.2 N#Cc1cccc(n1)C 1P001T2M [0,1,0,0,0,0|2,0,1]=4 961 B9R1.2 N#Cc1cccc(n1)Cl 1P00I6YD [0,1,0,0,0,0|2,0,1]=4 962 B9R1.2 N#Cc1cccc(n1)F 1P0033QL [0,1,0,0,0,0|2,0,1]=4 963 B9R1.2 N#Cc1cccc(n1)N 1P003GZ0 [0,1,0,0,0,0|2,0,1]=4 964 B9R1.2 N#Cc1cccc(n1)O 1P0040AN [0,1,0,0,0,0|2,0,1]=4 965 B9R1.2 NCc1[nH]ccc(=O)c1 1P00J1X6 [0,1,0,0,0,0|2,0,1]=4 966 B9R1.2 NCc1cc(Br)ccn1 1P0036UF [0,1,0,0,0,0|2,0,0]=3 967 B9R1.2 NCc1cc(Br)cnc1 1P0038KX [0,1,0,0,0,0|2,0,0]=3 968 B9R1.2 NCc1cc(Cl)ccn1 1P0022S5 [0,1,0,0,0,0|2,0,0]=3 969 B9R1.2 NCc1cc(Cl)cnc1 1P00196S [0,1,0,0,0,0|2,0,0]=3 970 B9R1.2 NCc1cc(F)cnc1 1P002O92 [0,1,0,0,0,0|2,0,0]=3 971 B9R1.2 NCc1cc(F)cnc1 1P00IEIR [0,1,0,0,0,0|2,0,0]=3 972 B9R1.2 NCc1cc(O)cnc1 1P000MC8 [0,1,0,0,0,0|2,0,0]=3 973 B9R1.2 NCc1cc[nH]c(=N)n1 1P01DFMC [0,1,0,0,0,0|3,0,0]=4 974 B9R1.2 NCc1ccc[n+](c1)[O-] 1P01BSKK [0,1,0,0,0,0|2,0,1]=4 975 B9R1.2 NCc1ccc[n+](c1)[O-] 1P01EIK3 [0,1,0,0,0,0|2,0,1]=4 976 B9R1.2 NCc1cccc(=O)[nH]1 1P01A4RU [0,1,0,0,0,0|2,0,1]=4 977 B9R1.2 NCc1cccc(=O)[nH]1 1P01KLL7 [0,1,0,0,0,0|2,0,1]=4 978 B9R1.2 NCc1cccc(c1)Br 1P0008LR [0,1,0,0,0,0|3,0,0]=4 979 B9R1.2 NCc1cccc(c1)Br 1P003JKW [0,1,0,0,0,0|3,0,0]=4 980 B9R1.2 NCc1cccc(c1)C 1P0000OM [0,1,0,0,0,0|3,0,0]=4 981 B9R1.2 NCc1cccc(c1)Cl 1P003JR8 [0,1,0,0,0,0|3,0,0]=4 982 B9R1.2 NCc1cccc(c1)F 1P0000OL [0,1,0,0,0,0|3,0,0]=4 983 B9R1.2 NCc1cccc(c1)F 1P01K78D [0,1,0,0,0,0|3,0,0]=4 984 B9R1.2 NCc1cccc(c1)I 1P003K2D [0,1,0,0,0,0|3,0,0]=4 985 B9R1.2 NCc1cccc(c1)I 1P00I7SX [0,1,0,0,0,0|3,0,0]=4 986 B9R1.2 NCc1cccc(c1)N 1P003JDZ [0,1,0,0,0,0|3,0,0]=4 987 B9R1.2 NCc1cccc(c1)O 1P0011H8 [0,1,0,0,0,0|3,0,0]=4 988 B9R1.2 NCc1cccc(c1)O 1P003IMZ [0,1,0,0,0,0|3,0,0]=4 989 B9R1.2 NCc1cccc(n1)Br 1P0074ZD [0,1,0,0,0,0|2,0,0]=3 990 B9R1.2 NCc1cccc(n1)Br 1P00GSVK [0,1,0,0,0,0|2,0,0]=3 991 B9R1.2 NCc1cccc(n1)Br 1P01FJ5Z [0,1,0,0,0,0|2,0,0]=3 992 B9R1.2 NCc1cccc(n1)C 1P0012KB [0,1,0,0,0,0|2,0,0]=3 993 B9R1.2 NCc1cccc(n1)C 1P004RKH [0,1,0,0,0,0|2,0,0]=3 994 B9R1.2 NCc1cccc(n1)C 1P006OMB [0,1,0,0,0,0|2,0,0]=3 995 B9R1.2 NCc1cccc(n1)Cl 1P001ONV [0,1,0,0,0,0|2,0,0]=3 996 B9R1.2 NCc1cccc(n1)Cl 1P00AOJ9 [0,1,0,0,0,0|2,0,0]=3 997 B9R1.2 NCc1cccc(n1)Cl 1P01BCK3 [0,1,0,0,0,0|2,0,0]=3 998 B9R1.2 NCc1cccc(n1)F 1P000P2X [0,1,0,0,0,0|2,0,0]=3 999 B9R1.2 NCc1cccc(n1)F 1P001ILO [0,1,0,0,0,0|2,0,0]=3 1000 B9R1.2 NCc1cccc(n1)N 1P001XQU [0,1,0,0,0,0|2,0,0]=3 1001 B9R1.2 NCc1cccc(n1)N 1P01CAT0 [0,1,0,0,0,0|2,0,0]=3 1002 B9R1.2 NCc1cccc(n1)O 1P01DEY1 [0,1,0,0,0,0|2,0,0]=3 1003 B9R1.2 NCc1ccnc(n1)C 1P00C4D0 [0,1,0,0,0,0|3,0,0]=4 1004 B9R1.2 NCc1ccnc(n1)C 1P0285AS [0,1,0,0,0,0|3,0,0]=4 1005 B9R1.2 NCc1ccnc(n1)Cl 1P00HTVQ [0,1,0,0,0,0|3,0,0]=4 1006 B9R1.2 NCc1ccnc(n1)N 1P019L2Q [0,1,0,0,0,0|3,0,0]=4 1007 B9R1.2 NCc1cncc(c1)Br 1P008SBV [0,1,0,0,0,0|2,0,0]=3 1008 B9R1.2 NCc1cncc(c1)C 1P027OFD [0,1,0,0,0,0|2,0,0]=3 1009 B9R1.2 NCc1cncc(c1)Cl 1P009XZW [0,1,0,0,0,0|2,0,0]=3 1010 B9R1.2 NCc1cncc(c1)N 1P00EF6P [0,1,0,0,0,0|2,0,0]=3 1011 B9R1.2 NCc1cncc(c1)O 1P028V18 [0,1,0,0,0,0|2,0,0]=3 1012 B9R1.2 NCc1cncc(n1)C 1P01EIII [0,1,0,0,0,0|1,0,0]=2 1013 B9R1.2 NCc1cncc(n1)Cl 1P009I1R [0,1,0,0,0,0|1,0,0]=2 1014 B9R1.2 NCc1cncc(n1)Cl 1P028WA2 [0,1,0,0,0,0|1,0,0]=2 1015 B9R1.2 NCc1cncc(n1)N 1P028EV3 [0,1,0,0,0,0|1,0,0]=2 1016 B9R1.2 NCc1cncc(n1)O 1P0293RL [0,1,0,0,0,0|1,0,0]=2 1017 B9R1.2 NCc1nc(Cl)ccn1 1P01DY84 [0,1,0,0,0,0|3,0,0]=4 1018 B9R1.2 NCc1nc[nH]c(=O)c1 1P000TWF [0,1,0,0,0,0|3,0,0]=4 1019 B9R1.2 NCc1nccc(=O)[nH]1 1P01C58R [0,1,0,0,0,0|3,0,0]=4 1020 B9R1.2 NCc1nccc(c1)Br 1P0001JX [0,1,0,0,0,0|2,0,0]=3 1021 B9R1.2 NCc1nccc(c1)C 1P00I7JX [0,1,0,0,0,0|2,0,0]=3 1022 B9R1.2 NCc1nccc(c1)F 1P00AAS2 [0,1,0,0,0,0|2,0,0]=3 1023 B9R1.2 NCc1nccc(c1)N 1P01EKJ0 [0,1,0,0,0,0|2,0,0]=3 1024 B9R1.2 NCc1nccc(n1)C 1P001AL8 [0,1,0,0,0,0|3,0,0]=4 1025 B9R1.2 NCc1nccc(n1)N 1P01A0N6 [0,1,0,0,0,0|3,0,0]=4 1026 B9R1.2 NCc1nccc(n1)N 1P024SPK [0,1,0,0,0,0|3,0,0]=4 1027 B9R1.2 NCc1nncc(c1)C 1P0026TO [0,1,0,0,0,0|3,0,0]=4 1028 B9R1.2 NN=c1cncc([nH]1)Cl 1P00EAXG [0,1,0,0,0,0|2,0,1]=4 1029 B9R1.2 NNc1cc(Br)ccn1 1P0006N2 [0,1,0,0,0,0|3,0,0]=4 1030 B9R1.2 NNc1cc(Br)cnc1 1P00G8MJ [0,1,0,0,0,0|3,0,0]=4 1031 B9R1.2 NNc1cc(F)cnc1 1P01JX7A [0,1,0,0,0,0|3,0,0]=4 1032 B9R1.2 NNc1cc(I)ccn1 1P00943H [0,1,0,0,0,0|3,0,0]=4 1033 B9R1.2 NNc1cccc(n1)Br 1P003H7K [0,1,0,0,0,0|3,0,0]=4 1034 B9R1.2 NNc1cccc(n1)Br 1P00J300 [0,1,0,0,0,0|3,0,0]=4 1035 B9R1.2 NNc1cccc(n1)C 1P00DDPS [0,1,0,0,0,0|3,0,0]=4 1036 B9R1.2 NNc1cccc(n1)C 1P00J2JN [0,1,0,0,0,0|3,0,0]=4 1037 B9R1.2 NNc1cccc(n1)Cl 1P003HH9 [0,1,0,0,0,0|3,0,0]=4 1038 B9R1.2 NNc1cncc(c1)Br 1P009KEQ [0,1,0,0,0,0|3,0,0]=4 1039 B9R1.2 NNc1cncc(c1)C 1P0284S0 [0,1,0,0,0,0|3,0,0]=4 1040 B9R1.2 Nc1cc(C=C)ncc1 1P0006QG [0,1,0,0,0,0|1,0,2]=4 1041 B9R1.2 Nc1cc(CBr)cnc1 1P01KLTB [0,1,0,0,0,0|2,0,0]=3 1042 B9R1.2 Nc1cc(CO)cnc1 1P00DEEH [0,1,0,0,0,0|2,0,0]=3 1043 B9R1.2 Nc1cc(CO)ncc1 1P0001GT [0,1,0,0,0,0|2,0,0]=3 1044 B9R1.2 Nc1cc(CO)ncc1 1P00A3VD [0,1,0,0,0,0|2,0,0]=3 1045 B9R1.2 Nc1cc(cnc1)C#C 1P00FE6Q [0,1,0,0,0,0|1,0,2]=4 1046 B9R1.2 Nc1cc(cnc1)C#N 1P003MUJ [0,1,0,0,0,0|2,0,1]=4 1047 B9R1.2 Nc1cc(ncc1)C#C 1P006IAF [0,1,0,0,0,0|1,0,2]=4 1048 B9R1.2 Nc1cc(ncc1)C#C 1P00HUTT [0,1,0,0,0,0|1,0,2]=4 1049 B9R1.2 Nc1cc(ncc1)C#N 1P006TZF [0,1,0,0,0,0|2,0,1]=4 1050 B9R1.2 Nc1ccnc(n1)CCl 1P008M4R [0,1,0,0,0,0|3,0,0]=4 1051 B9R1.2 Nc1ccnc(n1)CCl 1P01BHRC [0,1,0,0,0,0|3,0,0]=4 1052 B9R1.2 Nc1ccnc(n1)CO 1P027PA4 [0,1,0,0,0,0|3,0,0]=4 1053 B9R1.2 Nc1cncc(n1)C#N 1P00ECEI [0,1,0,0,0,0|1,0,1]=3 1054 B9R1.2 Nc1cncc(n1)CO 1P01C27B [0,1,0,0,0,0|1,0,0]=2 1055 B9R1.2 O=Cc1cccc(n1)Br 1P0034T5 [0,1,0,0,0,0|2,0,1]=4 1056 B9R1.2 O=Cc1cccc(n1)C 1P003NRK [0,1,0,0,0,0|2,0,1]=4 1057 B9R1.2 O=Cc1cccc(n1)Cl 1P00DEFF [0,1,0,0,0,0|2,0,1]=4 1058 B9R1.2 O=Cc1cccc(n1)F 1P002JY1 [0,1,0,0,0,0|2,0,1]=4 1059 B9R1.2 O=Cc1cccc(n1)N 1P00CBAY [0,1,0,0,0,0|2,0,1]=4 1060 B9R1.2 OCc1cc(=N)[nH]cn1 1P00DLDW [0,1,0,0,0,0|3,0,0]=4 1061 B9R1.2 OCc1cc(=O)[nH]cn1 1P0003SE [0,1,0,0,0,0|3,0,0]=4 1062 B9R1.2 OCc1cc(Br)ccn1 1P00103V [0,1,0,0,0,0|2,0,0]=3 1063 B9R1.2 OCc1cc(Br)cnc1 1P003JK1 [0,1,0,0,0,0|2,0,0]=3 1064 B9R1.2 OCc1cc(Br)cnc1 1P006XP9 [0,1,0,0,0,0|2,0,0]=3 1065 B9R1.2 OCc1cc(Cl)ccn1 1P003CC4 [0,1,0,0,0,0|2,0,0]=3 1066 B9R1.2 OCc1cc(Cl)ccn1 1P00J1WS [0,1,0,0,0,0|2,0,0]=3 1067 B9R1.2 OCc1cc(Cl)cnc1 1P006XPA [0,1,0,0,0,0|2,0,0]=3 1068 B9R1.2 OCc1cc(Cl)ncn1 1P00084K [0,1,0,0,0,0|3,0,0]=4 1069 B9R1.2 OCc1cc(F)ccn1 1P00HH5P [0,1,0,0,0,0|2,0,0]=3 1070 B9R1.2 OCc1cc(F)cnc1 1P006XPB [0,1,0,0,0,0|2,0,0]=3 1071 B9R1.2 OCc1ccc[n+](c1)[O-] 1P003KCZ [0,1,0,0,0,0|2,0,1]=4 1072 B9R1.2 OCc1cccc(=O)[nH]1 1P007ETW [0,1,0,0,0,0|2,0,1]=4 1073 B9R1.2 OCc1cccc(c1)Br 1P001QQM [0,1,0,0,0,0|3,0,0]=4 1074 B9R1.2 OCc1cccc(c1)C 1P003K7G [0,1,0,0,0,0|3,0,0]=4 1075 B9R1.2 OCc1cccc(c1)Cl 1P003JR6 [0,1,0,0,0,0|3,0,0]=4 1076 B9R1.2 OCc1cccc(c1)F 1P003JXY [0,1,0,0,0,0|3,0,0]=4 1077 B9R1.2 OCc1cccc(c1)I 1P003K2C [0,1,0,0,0,0|3,0,0]=4 1078 B9R1.2 OCc1cccc(c1)N 1P0039D9 [0,1,0,0,0,0|3,0,0]=4 1079 B9R1.2 OCc1cccc(c1)O 1P003K0Z [0,1,0,0,0,0|3,0,0]=4 1080 B9R1.2 OCc1cccc(c1)S 1P00566D [0,1,0,0,0,0|3,0,0]=4 1081 B9R1.2 OCc1cccc(n1)Br 1P003H7T [0,1,0,0,0,0|2,0,0]=3 1082 B9R1.2 OCc1cccc(n1)C 1P007C8T [0,1,0,0,0,0|2,0,0]=3 1083 B9R1.2 OCc1cccc(n1)Cl 1P003CFI [0,1,0,0,0,0|2,0,0]=3 1084 B9R1.2 OCc1cccc(n1)Cl 1P003NM0 [0,1,0,0,0,0|2,0,0]=3 1085 B9R1.2 OCc1cccc(n1)F 1P003NO6 [0,1,0,0,0,0|2,0,0]=3 1086 B9R1.2 OCc1cccc(n1)N 1P003NJ2 [0,1,0,0,0,0|2,0,0]=3 1087 B9R1.2 OCc1ccnc(n1)C 1P008T10 [0,1,0,0,0,0|3,0,0]=4 1088 B9R1.2 OCc1ccnc(n1)Cl 1P00CMNH [0,1,0,0,0,0|3,0,0]=4 1089 B9R1.2 OCc1ccnc(n1)N 1P00BFQP [0,1,0,0,0,0|3,0,0]=4 1090 B9R1.2 OCc1cncc(c1)O 1P00DGST [0,1,0,0,0,0|2,0,0]=3 1091 B9R1.2 OCc1cncc(n1)Br 1P009MAH [0,1,0,0,0,0|1,0,0]=2 1092 B9R1.2 OCc1cncc(n1)Cl 1P000LYW [0,1,0,0,0,0|1,0,0]=2 1093 B9R1.2 OCc1nc(Br)ccn1 1P02874M [0,1,0,0,0,0|3,0,0]=4 1094 B9R1.2 OCc1nc(Cl)ccn1 1P0096F4 [0,1,0,0,0,0|3,0,0]=4 1095 B9R1.2 OCc1nccc(=O)[nH]1 1P00CYET [0,1,0,0,0,0|3,0,0]=4 1096 B9R1.2 OCc1nccc(c1)O 1P01DL28 [0,1,0,0,0,0|2,0,0]=3 1097 B9R1.2 OCc1nccc(n1)O 1P028LSQ [0,1,0,0,0,0|3,0,0]=4 1098 B9R1.2 OCc1nncc(c1)C 1P0026U6 [0,1,0,0,0,0|3,0,0]=4 1099 B9R1.2 Oc1cc(C=O)cnc1 1P003N9K [0,1,0,0,0,0|2,0,1]=4 1100 B9R1.2 Oc1cc(CCl)ncn1 1P01EMWL [0,1,0,0,0,0|3,0,0]=4 1101 B9R1.2 Oc1cc(cnc1)C#C 1P028XYK [0,1,0,0,0,0|1,0,2]=4 1102 B9R1.2 Oc1cc(cnc1)C#N 1P0034R2 [0,1,0,0,0,0|2,0,1]=4 1103 B9R1.2 Oc1cc(ncc1)C#N 1P00DIFJ [0,1,0,0,0,0|2,0,1]=4 1104 B9R1.2 SCc1cccc(c1)Br 1P003JKV [0,1,0,0,0,0|3,0,0]=4 1105 B9R1.2 SCc1cccc(c1)C 1P003K7K [0,1,0,0,0,0|3,0,0]=4 1106 B9R1.2 SCc1cccc(c1)Cl 1P00BIQ5 [0,1,0,0,0,0|3,0,0]=4 1107 B9R1.2 SCc1cccc(c1)F 1P00C7RA [0,1,0,0,0,0|3,0,0]=4 1108 B9R1.2 SCc1cccc(c1)I 1P0290H9 [0,1,0,0,0,0|3,0,0]=4 1109 B9R1.6 CC(=C)c1ccccn1 1P00ELW9 [0,1,0,0,0,0|1,0,1]=3 1110 B9R1.6 CC(=C)c1cccnc1 1P00B5O7 [0,1,0,0,0,0|1,0,1]=3 1111 B9R1.6 CC(=O)c1ccccc1 1P0036AX [0,1,0,0,0,0|2,0,1]=4 1112 B9R1.6 CC(=O)c1ccccn1 1P003GS6 [0,1,0,0,0,0|1,0,1]=3 1113 B9R1.6 CC(=O)c1cccnc1 1P003JA6 [0,1,0,0,0,0|1,0,1]=3 1114 B9R1.6 CC(=O)c1cccnn1 1P007UEX [0,1,0,0,0,0|2,0,1]=4 1115 B9R1.6 CC(=O)c1ccncn1 1P00BYH9 [0,1,0,0,0,0|2,0,1]=4 1116 B9R1.6 CC(=O)c1ccnnc1 1P006VU7 [0,1,0,0,0,0|2,0,1]=4 1117 B9R1.6 CC(=O)c1cnccn1 1P003O4N [0,1,0,0,0,0|0,0,1]=2 1118 B9R1.6 CC(=O)c1cncnc1 1P003DIC [0,1,0,0,0,0|2,0,1]=4 1119 B9R1.6 CC(=O)c1ncccn1 1P003GS7 [0,1,0,0,0,0|2,0,1]=4 1120 B9R1.6 CC([n+]1ccccc1)C 1P01ERR5 [0,1,0,0,0,0|3,0,0]=4 1121 B9R1.6 CC(c1ccccc1)Br 1P003BVV [0,1,0,0,0,0|2,0,0]=3 1122 B9R1.6 CC(c1ccccc1)C 1P0032S0 [0,1,0,0,0,0|2,0,0]=3 1123 B9R1.6 CC(c1ccccc1)Cl 1P003ENS [0,1,0,0,0,0|2,0,0]=3 1124 B9R1.6 CC(c1ccccc1)N 1P00369W [0,1,0,0,0,0|2,0,0]=3 1125 B9R1.6 CC(c1ccccc1)N 1P009X79 [0,1,0,0,0,0|2,0,0]=3 1126 B9R1.6 CC(c1ccccc1)S 1P003COW [0,1,0,0,0,0|2,0,0]=3 1127 B9R1.6 CC(c1ccccn1)Br 1P005XKU [0,1,0,0,0,0|1,0,0]=2 1128 B9R1.6 CC(c1ccccn1)Br 1P019XVD [0,1,0,0,0,0|1,0,0]=2 1129 B9R1.6 CC(c1ccccn1)C 1P00E98K [0,1,0,0,0,0|1,0,0]=2 1130 B9R1.6 CC(c1ccccn1)Cl 1P00AO5F [0,1,0,0,0,0|1,0,0]=2 1131 B9R1.6 CC(c1ccccn1)N 1P0039UO [0,1,0,0,0,0|1,0,0]=2 1132 B9R1.6 CC(c1ccccn1)N 1P003DC9 [0,1,0,0,0,0|1,0,0]=2 1133 B9R1.6 CC(c1ccccn1)O 1P003F63 [0,1,0,0,0,0|1,0,0]=2 1134 B9R1.6 CC(c1cccnc1)Br 1P019XJX [0,1,0,0,0,0|1,0,0]=2 1135 B9R1.6 CC(c1cccnc1)Cl 1P0169EF [0,1,0,0,0,0|1,0,0]=2 1136 B9R1.6 CC(c1cccnc1)N 1P000HRO [0,1,0,0,0,0|1,0,0]=2 1137 B9R1.6 CC(c1cccnc1)N 1P003DEG [0,1,0,0,0,0|1,0,0]=2 1138 B9R1.6 CC(c1cccnc1)O 1P003IG7 [0,1,0,0,0,0|1,0,0]=2 1139 B9R1.6 CC(c1cccnn1)Cl 1P02519E [0,1,0,0,0,0|2,0,0]=3 1140 B9R1.6 CC(c1cccnn1)N 1P01KX69 [0,1,0,0,0,0|2,0,0]=3 1141 B9R1.6 CC(c1cccnn1)O 1P00HZKK [0,1,0,0,0,0|2,0,0]=3 1142 B9R1.6 CC(c1ccncc1)Br 1P019XJY [0,1,0,0,0,0|3,0,0]=4 1143 B9R1.6 CC(c1ccncc1)C 1P003M2H [0,1,0,0,0,0|3,0,0]=4 1144 B9R1.6 CC(c1ccncc1)Cl 1P0169EG [0,1,0,0,0,0|3,0,0]=4 1145 B9R1.6 CC(c1ccncc1)N 1P001ZXP [0,1,0,0,0,0|3,0,0]=4 1146 B9R1.6 CC(c1ccncc1)N 1P003DHP [0,1,0,0,0,0|3,0,0]=4 1147 B9R1.6 CC(c1ccncc1)N 1P01C1JO [0,1,0,0,0,0|3,0,0]=4 1148 B9R1.6 CC(c1ccncc1)O 1P002NIX [0,1,0,0,0,0|3,0,0]=4 1149 B9R1.6 CC(c1ccncn1)N 1P000P00 [0,1,0,0,0,0|2,0,0]=3 1150 B9R1.6 CC(c1ccnnc1)N 1P0003H4 [0,1,0,0,0,0|2,0,0]=3 1151 B9R1.6 CC(c1ccnnc1)N 1P00HDEA [0,1,0,0,0,0|2,0,0]=3 1152 B9R1.6 CC(c1ccnnc1)O 1P0282XW [0,1,0,0,0,0|2,0,0]=3 1153 B9R1.6 CC(c1cnccn1)Cl 1P000Z2P [0,1,0,0,0,0|0,0,0]=1 1154 B9R1.6 CC(c1cnccn1)N 1P0027E6 [0,1,0,0,0,0|0,0,0]=1 1155 B9R1.6 CC(c1cnccn1)O 1P00IIZX [0,1,0,0,0,0|0,0,0]=1 1156 B9R1.6 CC(c1cncnc1)N 1P01K4D6 [0,1,0,0,0,0|2,0,0]=3 1157 B9R1.6 CC(c1cncnc1)O 1P00G5BU [0,1,0,0,0,0|2,0,0]=3 1158 B9R1.6 CC(c1ncccn1)Cl 1P01BV6J [0,1,0,0,0,0|2,0,0]=3 1159 B9R1.6 CC(c1ncccn1)N 1P001W91 [0,1,0,0,0,0|2,0,0]=3 1160 B9R1.6 CC(c1ncccn1)N 1P01EIIZ [0,1,0,0,0,0|2,0,0]=3 1161 B9R1.6 CC(c1ncccn1)O 1P00E3YR [0,1,0,0,0,0|2,0,0]=3 1162 B9R1.6 CC(c1nccnc1)N 1P01EII2 [0,1,0,0,0,0|0,0,0]=1 1163 B9R1.6 CN(c1ccccc1)C 1P003T1K [0,1,0,0,0,0|3,0,0]=4 1164 B9R1.6 CN(c1ccccc1)N 1P003EY0 [0,1,0,0,0,0|3,0,0]=4 1165 B9R1.6 CN(c1ccccc1)N 1P00EKZW [0,1,0,0,0,0|3,0,0]=4 1166 B9R1.6 CN(c1ccccn1)C 1P003BOB [0,1,0,0,0,0|2,0,0]=3 1167 B9R1.6 CN(c1ccccn1)N 1P00736N [0,1,0,0,0,0|2,0,0]=3 1168 B9R1.6 CN(c1cccnc1)C 1P0075WN [0,1,0,0,0,0|2,0,0]=3 1169 B9R1.6 CN(c1ccncn1)C 1P00D0M3 [0,1,0,0,0,0|3,0,0]=4 1170 B9R1.6 CN(c1cnccn1)N 1P00G9SO [0,1,0,0,0,0|1,0,0]=2 1171 B9R1.6 CN(c1ncccn1)N 1P00E5BO [0,1,0,0,0,0|3,0,0]=4 1172 B9R1.6 CP(c1ccccc1)C 1P003Q45 [0,1,0,0,0,0|3,0,0]=4 1173 B9R1.6 CP(c1ccccc1)C 1P00BHDQ [0,1,0,0,0,0|3,0,0]=4 1174 B9R1.6 CS(=O)c1ccccc1 1P000J0D [0,1,0,0,0,0|3,0,0]=4 1175 B9R1.6 CS(=O)c1ccccn1 1P006YWW [0,1,0,0,0,0|2,0,0]=3 1176 B9R1.6 CS(=O)c1ncccn1 1P001D8J [0,1,0,0,0,0|3,0,0]=4 1177 B9R1.6 C[C@@H](c1ccccc1)N 1P0032WG [0,1,0,0,0,0|2,0,0]=3 1178 B9R1.6 C[C@@H](c1ccccc1)O 1P00HXJL [0,1,0,0,0,0|2,0,0]=3 1179 B9R1.6 C[C@@H](c1ccccc1)S 1P01BVUY [0,1,0,0,0,0|2,0,0]=3 1180 B9R1.6 C[C@@H](c1ccccn1)N 1P002VEV [0,1,0,0,0,0|1,0,0]=2 1181 B9R1.6 C[C@@H](c1ccccn1)N 1P00CJBI [0,1,0,0,0,0|1,0,0]=2 1182 B9R1.6 C[C@@H](c1ccccn1)O 1P003CZH [0,1,0,0,0,0|1,0,0]=2 1183 B9R1.6 C[C@@H](c1cccnc1)N 1P002VEU [0,1,0,0,0,0|1,0,0]=2 1184 B9R1.6 C[C@@H](c1cccnc1)N 1P00I8C2 [0,1,0,0,0,0|1,0,0]=2 1185 B9R1.6 C[C@@H](c1cccnc1)O 1P003CZF [0,1,0,0,0,0|1,0,0]=2 1186 B9R1.6 C[C@@H](c1ccncc1)N 1P002VET [0,1,0,0,0,0|3,0,0]=4 1187 B9R1.6 C[C@@H](c1ccncc1)N 1P00CNEB [0,1,0,0,0,0|3,0,0]=4 1188 B9R1.6 C[C@@H](c1ccncc1)O 1P003CZI [0,1,0,0,0,0|3,0,0]=4 1189 B9R1.6 C[C@@H](c1ccncn1)O 1P01C1ND [0,1,0,0,0,0|2,0,0]=3 1190 B9R1.6 C[C@@H](c1cnccn1)O 1P01AJZA [0,1,0,0,0,0|0,0,0]=1 1191 B9R1.6 C[C@@H](c1ncccn1)N 1P01JVFK [0,1,0,0,0,0|2,0,0]=3 1192 B9R1.6 C[C@@H](c1ncccn1)O 1P01JV8C [0,1,0,0,0,0|2,0,0]=3 1193 B9R1.6 C[C@@H](c1nccnc1)N 1P01B2Z8 [0,1,0,0,0,0|0,0,0]=1 1194 B9R1.6 C[C@H](c1ccccc1)N 1P0032UU [0,1,0,0,0,0|2,0,0]=3 1195 B9R1.6 C[C@H](c1ccccc1)N 1P00BC58 [0,1,0,0,0,0|2,0,0]=3 1196 B9R1.6 C[C@H](c1ccccc1)O 1P0032UN [0,1,0,0,0,0|2,0,0]=3 1197 B9R1.6 C[C@H](c1ccccc1)S 1P01DWTD [0,1,0,0,0,0|2,0,0]=3 1198 B9R1.6 C[C@H](c1ccccn1)N 1P009I22 [0,1,0,0,0,0|1,0,0]=2 1199 B9R1.6 C[C@H](c1ccccn1)N 1P00DBIS [0,1,0,0,0,0|1,0,0]=2 1200 B9R1.6 C[C@H](c1ccccn1)O 1P0032W5 [0,1,0,0,0,0|1,0,0]=2 1201 B9R1.6 C[C@H](c1cccnc1)N 1P000DVB [0,1,0,0,0,0|1,0,0]=2 1202 B9R1.6 C[C@H](c1cccnc1)N 1P00CKTS [0,1,0,0,0,0|1,0,0]=2 1203 B9R1.6 C[C@H](c1cccnc1)N 1P00I8C1 [0,1,0,0,0,0|1,0,0]=2 1204 B9R1.6 C[C@H](c1cccnc1)O 1P003CNM [0,1,0,0,0,0|1,0,0]=2 1205 B9R1.6 C[C@H](c1cccnn1)O 1P024TVV [0,1,0,0,0,0|2,0,0]=3 1206 B9R1.6 C[C@H](c1ccncc1)N 1P0004FL [0,1,0,0,0,0|3,0,0]=4 1207 B9R1.6 C[C@H](c1ccncc1)N 1P00DLCH [0,1,0,0,0,0|3,0,0]=4 1208 B9R1.6 C[C@H](c1ccncc1)O 1P002VEW [0,1,0,0,0,0|3,0,0]=4 1209 B9R1.6 C[C@H](c1cnccn1)N 1P000X0F [0,1,0,0,0,0|0,0,0]=1 1210 B9R1.6 C[C@H](c1cnccn1)O 1P01AJZ9 [0,1,0,0,0,0|0,0,0]=1 1211 B9R1.6 C[C@H](c1ncccn1)N 1P01JV18 [0,1,0,0,0,0|2,0,0]=3 1212 B9R1.6 C[C@H](c1ncccn1)O 1P00CKTT [0,1,0,0,0,0|2,0,0]=3 1213 B9R1.6 C[C@H](c1nccnc1)N 1P01C72C [0,1,0,0,0,0|0,0,0]=1 1214 B9R1.6 C[Si](c1ccccc1)C 1P00358B [0,1,0,0,0,0|2,1,0]=4 1215 B9R1.6 ClC(=O)c1ccccn1 1P002ZQS [0,1,0,0,0,0|2,0,1]=4 1216 B9R1.6 ClC(=O)c1ccccn1 1P003UJ3 [0,1,0,0,0,0|2,0,1]=4 1217 B9R1.6 ClC(=O)c1cccnc1 1P0028T1 [0,1,0,0,0,0|2,0,1]=4 1218 B9R1.6 ClC(=O)c1cccnc1 1P008RIG [0,1,0,0,0,0|2,0,1]=4 1219 B9R1.6 ClC(=O)c1cnccn1 1P002C00 [0,1,0,0,0,0|1,0,1]=3 1220 B9R1.6 ClC(c1ccccc1)Cl 1P00IKXY [0,1,0,0,0,0|3,0,0]=4 1221 B9R1.6 ClC(c1ccccn1)Cl 1P00DBTE [0,1,0,0,0,0|2,0,0]=3 1222 B9R1.6 FC(c1ccccc1)Br 1P020M24 [0,1,0,0,0,0|3,0,0]=4 1223 B9R1.6 FC(c1ccccc1)F 1P00DCHS [0,1,0,0,0,0|3,0,0]=4 1224 B9R1.6 FC(c1ccccn1)F 1P000EX6 [0,1,0,0,0,0|2,0,0]=3 1225 B9R1.6 FC(c1cccnc1)F 1P005KXX [0,1,0,0,0,0|2,0,0]=3 1226 B9R1.6 NC(=N)c1ccccn1 1P0035Y9 [0,1,0,0,0,0|2,0,1]=4 1227 B9R1.6 NC(=N)c1cccnc1 1P002N4J [0,1,0,0,0,0|2,0,1]=4 1228 B9R1.6 NC(=N)c1cccnc1 1P003KCV [0,1,0,0,0,0|2,0,1]=4 1229 B9R1.6 NC(=N)c1cccnc1 1P00EEAY [0,1,0,0,0,0|2,0,1]=4 1230 B9R1.6 NC(=N)c1cnccn1 1P00199A [0,1,0,0,0,0|1,0,1]=3 1231 B9R1.6 NC(=O)c1ccccn1 1P003U8O [0,1,0,0,0,0|2,0,1]=4 1232 B9R1.6 NC(=O)c1cccnc1 1P00IKH0 [0,1,0,0,0,0|2,0,1]=4 1233 B9R1.6 NC(=O)c1cnccn1 1P003UIG [0,1,0,0,0,0|1,0,1]=3 1234 B9R1.6 NC(=S)c1ccccn1 1P00IA0A [0,1,0,0,0,0|2,0,1]=4 1235 B9R1.6 NC(=S)c1cccnc1 1P00I915 [0,1,0,0,0,0|2,0,1]=4 1236 B9R1.6 NC(=S)c1cnccn1 1P003UIJ [0,1,0,0,0,0|1,0,1]=3 1237 B9R1.6 OB(c1ccccn1)O 1P002BN5 [0,1,0,0,0,0|3,0,0]=4 1238 B9R1.6 OB(c1cccnc1)O 1P001Z1A [0,1,0,0,0,0|3,0,0]=4 1239 B9R1.6 OB(c1cccnc1)O 1P002U6U [0,1,0,0,0,0|3,0,0]=4 1240 B9R1.6 OB(c1nccnc1)O 1P005S03 [0,1,0,0,0,0|2,0,0]=3 1241 B9R1.6 OC(=O)c1ccccn1 1P0035Y8 [0,1,0,0,0,0|2,0,1]=4 1242 B9R1.6 OC(=O)c1ccccn1 1P003U8P [0,1,0,0,0,0|2,0,1]=4 1243 B9R1.6 OC(=O)c1cccnc1 1P00EZXS [0,1,0,0,0,0|2,0,1]=4 1244 B9R1.6 OC(=O)c1cccnc1 1P00IBTV [0,1,0,0,0,0|2,0,1]=4 1245 B9R1.6 OC(=O)c1cnccn1 1P0033WC [0,1,0,0,0,0|1,0,1]=3 1246 B9R1.6 OC(=O)c1nccnn1 1P01DXUR [0,1,0,0,0,0|2,0,1]=4 1247 B9R1.6 [O-]C(=O)c1ccccn1 1P001FPK [0,1,0,0,0,0|2,0,1]=4 1248 B9R1.6 [O-]C(=O)c1ccccn1 1P003PCW [0,1,0,0,0,0|2,0,1]=4 1249 B9R1.6 [O-]C(=O)c1ccccn1 1P003U8R [0,1,0,0,0,0|2,0,1]=4 1250 B9R1.6 [O-]C(=O)c1cccnc1 1P003UTW [0,1,0,0,0,0|2,0,1]=4 1251 B9R1.6 [O-]S(=O)c1ccccn1 1P00I55G [0,1,0,0,0,0|3,0,0]=4 1252 B9R1.6 [O-]S(=O)c1ccccn1 1P01AGPS [0,1,0,0,0,0|3,0,0]=4 1253 B9R1.6 [O-]S(=O)c1cccnc1 1P00A6VE [0,1,0,0,0,0|3,0,0]=4 1254 B9R1.6 [O-]S(=O)c1cccnc1 1P027XAI [0,1,0,0,0,0|3,0,0]=4 1255 B9R1.6 [O-][N+](=O)c1ccccn1 1P001MRG [0,1,0,0,0,0|3,0,0]=4 1256 B9R1.6 [O-][N+](=O)c1cccnc1 1P003KAJ [0,1,0,0,0,0|3,0,0]=4 1257 B9R1.8 BrCCc1ccccc1 1P003EKU [0,1,0,0,0,0|2,0,0]=3 1258 B9R1.8 BrCCc1ccccn1 1P0033B6 [0,1,0,0,0,0|1,0,0]=2 1259 B9R1.8 BrCCc1cccnc1 1P00CJF9 [0,1,0,0,0,0|1,0,0]=2 1260 B9R1.8 BrCCc1ccncc1 1P01BGQT [0,1,0,0,0,0|3,0,0]=4 1261 B9R1.8 BrCCc1cnccn1 1P01DYXQ [0,1,0,0,0,0|0,0,0]=1 1262 B9R1.8 Br\C=C/c1cccnc1 1P00A7DJ [0,1,0,0,0,0|1,0,2]=4 1263 B9R1.8 C(c1cccnn1)C#N 1P00CES6 [0,1,0,0,0,0|2,0,1]=4 1264 B9R1.8 C(c1cnccn1)C#N 1P00DJ1W [0,1,0,0,0,0|0,0,1]=2 1265 B9R1.8 C=CCc1ccccc1 1P003O6X [0,1,0,0,0,0|2,0,1]=4 1266 B9R1.8 C=CCc1cccnc1 1P005DFA [0,1,0,0,0,0|1,0,1]=3 1267 B9R1.8 C=CCc1cncnc1 1P01DW3N [0,1,0,0,0,0|2,0,1]=4 1268 B9R1.8 C=COc1cccnc1 1P009TFJ [0,1,0,0,0,0|1,0,2]=4 1269 B9R1.8 CC#Cc1ccccc1 1P000515 [0,1,0,0,0,0|2,0,1]=4 1270 B9R1.8 CCC[n+]1ccccc1 1P002N7W [0,1,0,0,0,0|3,0,0]=4 1271 B9R1.8 CCCc1ccccc1 1P003UGP [0,1,0,0,0,0|2,0,0]=3 1272 B9R1.8 CCCc1ccccn1 1P003IDJ [0,1,0,0,0,0|1,0,0]=2 1273 B9R1.8 CCCc1cccnc1 1P00DG48 [0,1,0,0,0,0|1,0,0]=2 1274 B9R1.8 CCCc1cccnn1 1P01ANOM [0,1,0,0,0,0|2,0,0]=3 1275 B9R1.8 CCCc1ccncc1 1P003MH0 [0,1,0,0,0,0|3,0,0]=4 1276 B9R1.8 CCCc1cnccn1 1P003BQC [0,1,0,0,0,0|0,0,0]=1 1277 B9R1.8 CCN=c1cccn[nH]1 1P00FI4Q [0,1,0,0,0,0|2,0,0]=3 1278 B9R1.8 CCNc1ccccc1 1P0035UD [0,1,0,0,0,0|2,0,0]=3 1279 B9R1.8 CCNc1ccccn1 1P003FIU [0,1,0,0,0,0|1,0,0]=2 1280 B9R1.8 CCNc1cccnc1 1P00CN8W [0,1,0,0,0,0|1,0,0]=2 1281 B9R1.8 CCNc1ccncc1 1P00I7EH [0,1,0,0,0,0|3,0,0]=4 1282 B9R1.8 CCNc1ccnnc1 1P01BTY6 [0,1,0,0,0,0|2,0,0]=3 1283 B9R1.8 CCNc1cnccn1 1P00F7WN [0,1,0,0,0,0|0,0,0]=1 1284 B9R1.8 CCNc1cncnc1 1P01DWEC [0,1,0,0,0,0|2,0,0]=3 1285 B9R1.8 CCNc1ncccn1 1P00FGHQ [0,1,0,0,0,0|2,0,0]=3 1286 B9R1.8 CCOc1ccccc1 1P003U4U [0,1,0,0,0,0|2,0,0]=3 1287 B9R1.8 CCOc1ccccn1 1P001L8A [0,1,0,0,0,0|1,0,0]=2 1288 B9R1.8 CCOc1cccnc1 1P00ANFG [0,1,0,0,0,0|1,0,0]=2 1289 B9R1.8 CCOc1cccnn1 1P003HNA [0,1,0,0,0,0|2,0,0]=3 1290 B9R1.8 CCOc1ccncc1 1P00C0Z1 [0,1,0,0,0,0|3,0,0]=4 1291 B9R1.8 CCSc1ccccc1 1P003QX8 [0,1,0,0,0,0|2,0,0]=3 1292 B9R1.8 CCSc1ccccn1 1P002EQQ [0,1,0,0,0,0|1,0,0]=2 1293 B9R1.8 CNCc1ccccc1 1P0035T0 [0,1,0,0,0,0|2,0,0]=3 1294 B9R1.8 CNCc1ccccn1 1P002L6V [0,1,0,0,0,0|1,0,0]=2 1295 B9R1.8 CNCc1ccccn1 1P00H9TS [0,1,0,0,0,0|1,0,0]=2 1296 B9R1.8 CNCc1cccnc1 1P003IN0 [0,1,0,0,0,0|1,0,0]=2 1297 B9R1.8 CNCc1cccnc1 1P00JLQD [0,1,0,0,0,0|1,0,0]=2 1298 B9R1.8 CNCc1cccnn1 1P01B717 [0,1,0,0,0,0|2,0,0]=3 1299 B9R1.8 CNCc1ccncc1 1P003TOO [0,1,0,0,0,0|3,0,0]=4 1300 B9R1.8 CNCc1ccncc1 1P009DU1 [0,1,0,0,0,0|3,0,0]=4 1301 B9R1.8 CNCc1ccncn1 1P00J3UF [0,1,0,0,0,0|2,0,0]=3 1302 B9R1.8 CNCc1cnccn1 1P0081AR [0,1,0,0,0,0|0,0,0]=1 1303 B9R1.8 CNCc1cncnc1 1P00E7RF [0,1,0,0,0,0|2,0,0]=3 1304 B9R1.8 CNCc1cncnc1 1P01C5YL [0,1,0,0,0,0|2,0,0]=3 1305 B9R1.8 CNCc1ncccn1 1P007VAV [0,1,0,0,0,0|2,0,0]=3 1306 B9R1.8 CNCc1ncccn1 1P00ILX1 [0,1,0,0,0,0|2,0,0]=3 1307 B9R1.8 CNCc1ncccn1 1P01DIF5 [0,1,0,0,0,0|2,0,0]=3 1308 B9R1.8 CNNc1ccccc1 1P00H3DS [0,1,0,0,0,0|3,0,0]=4 1309 B9R1.8 COCc1ccccc1 1P003OL0 [0,1,0,0,0,0|2,0,0]=3 1310 B9R1.8 COCc1ccccn1 1P002O7L [0,1,0,0,0,0|1,0,0]=2 1311 B9R1.8 COCc1ccncc1 1P00FGIA [0,1,0,0,0,0|3,0,0]=4 1312 B9R1.8 CSCc1ccccc1 1P003OL2 [0,1,0,0,0,0|2,0,0]=3 1313 B9R1.8 CSCc1ccccn1 1P00K0NO [0,1,0,0,0,0|1,0,0]=2 1314 B9R1.8 CSCc1cccnc1 1P01DX2J [0,1,0,0,0,0|1,0,0]=2 1315 B9R1.8 C\C=C/c1ccccc1 1P003PGJ [0,1,0,0,0,0|2,0,1]=4 1316 B9R1.8 C\C=C\c1ccccc1 1P003VFF [0,1,0,0,0,0|2,0,1]=4 1317 B9R1.8 C\C=C\c1cnccn1 1P027XHC [0,1,0,0,0,0|0,0,1]=2 1318 B9R1.8 C\N=C\c1ccccc1 1P003T8J [0,1,0,0,0,0|2,0,1]=4 1319 B9R1.8 ClCCc1ccccc1 1P0032NZ [0,1,0,0,0,0|2,0,0]=3 1320 B9R1.8 ClCCc1ccccn1 1P00AQES [0,1,0,0,0,0|1,0,0]=2 1321 B9R1.8 ClCCc1ccccn1 1P00CB7K [0,1,0,0,0,0|1,0,0]=2 1322 B9R1.8 ClCCc1cccnc1 1P00CLVG [0,1,0,0,0,0|1,0,0]=2 1323 B9R1.8 ClCCc1ccncc1 1P00G7HW [0,1,0,0,0,0|3,0,0]=4 1324 B9R1.8 ClCSc1ccccc1 1P003PAU [0,1,0,0,0,0|3,0,0]=4 1325 B9R1.8 ClC[SiH2]c1ccccc1 1P001U85 [0,1,0,0,0,0|2,1,0]=4 1326 B9R1.8 ICCc1ccccc1 1P001ZMC [0,1,0,0,0,0|2,0,0]=3 1327 B9R1.8 ICCc1cccnc1 1P01APKH [0,1,0,0,0,0|1,0,0]=2 1328 B9R1.8 N#CCc1ccccn1 1P0033WF [0,1,0,0,0,0|1,0,1]=3 1329 B9R1.8 N#CCc1cccnc1 1P003FL3 [0,1,0,0,0,0|1,0,1]=3 1330 B9R1.8 N#CCc1ccncn1 1P00G7GU [0,1,0,0,0,0|2,0,1]=4 1331 B9R1.8 N#CCc1ccnnc1 1P000BGU [0,1,0,0,0,0|2,0,1]=4 1332 B9R1.8 N#CCc1cncnc1 1P000170 [0,1,0,0,0,0|2,0,1]=4 1333 B9R1.8 N#CCc1ncccn1 1P0037WC [0,1,0,0,0,0|2,0,1]=4 1334 B9R1.8 NCCc1ccccc1 1P001OVX [0,1,0,0,0,0|2,0,0]=3 1335 B9R1.8 NCCc1ccccc1 1P00AL3F [0,1,0,0,0,0|2,0,0]=3 1336 B9R1.8 NCCc1ccccn1 1P0033BC [0,1,0,0,0,0|1,0,0]=2 1337 B9R1.8 NCCc1cccnc1 1P0031LS [0,1,0,0,0,0|1,0,0]=2 1338 B9R1.8 NCCc1cccnc1 1P007RI3 [0,1,0,0,0,0|1,0,0]=2 1339 B9R1.8 NCCc1cccnc1 1P00G4HF [0,1,0,0,0,0|1,0,0]=2 1340 B9R1.8 NCCc1ccncc1 1P0011CE [0,1,0,0,0,0|3,0,0]=4 1341 B9R1.8 NCCc1ccncc1 1P00EB7D [0,1,0,0,0,0|3,0,0]=4 1342 B9R1.8 NCCc1ccncn1 1P00G8NQ [0,1,0,0,0,0|2,0,0]=3 1343 B9R1.8 NCCc1ccnnc1 1P01FJWH [0,1,0,0,0,0|2,0,0]=3 1344 B9R1.8 NCCc1cnccn1 1P00D8UG [0,1,0,0,0,0|0,0,0]=1 1345 B9R1.8 NCCc1cnccn1 1P00HZ0H [0,1,0,0,0,0|0,0,0]=1 1346 B9R1.8 NCCc1cncnc1 1P00G7HI [0,1,0,0,0,0|2,0,0]=3 1347 B9R1.8 NCCc1cncnc1 1P01B7EM [0,1,0,0,0,0|2,0,0]=3 1348 B9R1.8 NCCc1ncccn1 1P00IKQC [0,1,0,0,0,0|2,0,0]=3 1349 B9R1.8 NNCc1ccccc1 1P002AS6 [0,1,0,0,0,0|3,0,0]=4 1350 B9R1.8 NNCc1ccccc1 1P003OLM [0,1,0,0,0,0|3,0,0]=4 1351 B9R1.8 NNCc1ccccc1 1P00VUSV [0,1,0,0,0,0|3,0,0]=4 1352 B9R1.8 NNCc1ccccn1 1P00BJY5 [0,1,0,0,0,0|2,0,0]=3 1353 B9R1.8 NNCc1ccccn1 1P00IG9V [0,1,0,0,0,0|2,0,0]=3 1354 B9R1.8 NNCc1cccnc1 1P0033XM [0,1,0,0,0,0|2,0,0]=3 1355 B9R1.8 NNCc1cccnc1 1P00EM3P [0,1,0,0,0,0|2,0,0]=3 1356 B9R1.8 NNCc1cccnc1 1P00FT0X [0,1,0,0,0,0|2,0,0]=3 1357 B9R1.8 NNCc1cnccn1 1P0080ZM [0,1,0,0,0,0|1,0,0]=2 1358 B9R1.8 NNCc1cnccn1 1P00H0K1 [0,1,0,0,0,0|1,0,0]=2 1359 B9R1.8 NNCc1cncnc1 1P00HX2E [0,1,0,0,0,0|3,0,0]=4 1360 B9R1.8 NOCc1ccccc1 1P0035W0 [0,1,0,0,0,0|3,0,0]=4 1361 B9R1.8 NOCc1ccccc1 1P003TWF [0,1,0,0,0,0|3,0,0]=4 1362 B9R1.8 NOCc1ccccn1 1P01C2PM [0,1,0,0,0,0|2,0,0]=3 1363 B9R1.8 NOCc1cccnc1 1P00I7X0 [0,1,0,0,0,0|2,0,0]=3 1364 B9R1.8 O=C=Nc1ccccn1 1P00DM5D [0,1,0,0,0,0|2,0,1]=4 1365 B9R1.8 O=C=Nc1cccnc1 1P003477 [0,1,0,0,0,0|2,0,1]=4 1366 B9R1.8 O=CCc1ccccc1 1P00170M [0,1,0,0,0,0|2,0,1]=4 1367 B9R1.8 O=CNc1ccccn1 1P00C130 [0,1,0,0,0,0|2,0,1]=4 1368 B9R1.8 OCCc1ccccc1 1P0033W3 [0,1,0,0,0,0|2,0,0]=3 1369 B9R1.8 OCCc1ccccn1 1P0038HY [0,1,0,0,0,0|1,0,0]=2 1370 B9R1.8 OCCc1cccnc1 1P003FB1 [0,1,0,0,0,0|1,0,0]=2 1371 B9R1.8 OCCc1ccncc1 1P003FL5 [0,1,0,0,0,0|3,0,0]=4 1372 B9R1.8 OCCc1ccncc1 1P00CHZZ [0,1,0,0,0,0|3,0,0]=4 1373 B9R1.8 OCCc1ccncn1 1P005N7W [0,1,0,0,0,0|2,0,0]=3 1374 B9R1.8 OCCc1cnccn1 1P003F8L [0,1,0,0,0,0|0,0,0]=1 1375 B9R1.8 OCCc1cncnc1 1P008CL3 [0,1,0,0,0,0|2,0,0]=3 1376 B9R1.8 OCCc1ncccn1 1P000AX7 [0,1,0,0,0,0|2,0,0]=3 1377 B9R1.8 ON=Cc1ccccn1 1P000PNF [0,1,0,0,0,0|2,0,1]=4 1378 B9R1.8 ON=Cc1cccnc1 1P000J0C [0,1,0,0,0,0|2,0,1]=4 1379 B9R1.8 ON=Cc1cnccn1 1P028X05 [0,1,0,0,0,0|1,0,1]=3 1380 B9R1.8 ONCc1ccccc1 1P002ZBQ [0,1,0,0,0,0|3,0,0]=4 1381 B9R1.8 ONCc1ccccc1 1P003920 [0,1,0,0,0,0|3,0,0]=4 1382 B9R1.8 O\N=C\c1ccccn1 1P003UJ6 [0,1,0,0,0,0|2,0,1]=4 1383 B9R1.8 S=C=Nc1cccnc1 1P00207D [0,1,0,0,0,0|2,0,1]=4 1384 B9R1.8 SCCc1ccccc1 1P00DCX2 [0,1,0,0,0,0|2,0,0]=3 1385 B9R1.8 SCCc1ccccn1 1P0029Y7 [0,1,0,0,0,0|1,0,0]=2 1386 B9R1.8 SCCc1ccncc1 1P003MH7 [0,1,0,0,0,0|3,0,0]=4 1387 B9R1.8 SCCc1cnccn1 1P003C4B [0,1,0,0,0,0|0,0,0]=1 1388 B9R1.8 [C-]#[N+]Cc1ccccc1 1P003OKW [0,1,0,0,0,0|2,0,1]=4 1389 B9R1.8 [C-]#[N+]Cc1cccnc1 1P00EAA0 [0,1,0,0,0,0|1,0,1]=3 1390 B9R1.8 [N-]=[N+]=Nc1ccccn1 1P01AMK5 [0,1,0,0,0,0|3,0,0]=4 1391 B9R1.8 [N-]=[N+]=Nc1cccnc1 1P01AB18 [0,1,0,0,0,0|3,0,0]=4 1392 B9R1.8 [O-]\N=N\c1cnccn1 1P0284KV [0,1,0,0,0,0|2,0,0]=3 1393 B9R1.15 BrCc1ccccc1Br 1P0033MT [0,1,0,0,0,0|3,0,0]=4 1394 B9R1.15 BrCc1ccccc1C 1P0032QO [0,1,0,0,0,0|3,0,0]=4 1395 B9R1.15 BrCc1ccccc1Cl 1P00IB9Q [0,1,0,0,0,0|3,0,0]=4 1396 B9R1.15 BrCc1ccccc1F 1P0033SD [0,1,0,0,0,0|3,0,0]=4 1397 B9R1.15 BrCc1ccccc1I 1P0073H5 [0,1,0,0,0,0|3,0,0]=4 1398 B9R1.15 BrCc1cccnc1Br 1P003H34 [0,1,0,0,0,0|2,0,0]=3 1399 B9R1.15 BrCc1cccnc1Br 1P01K18U [0,1,0,0,0,0|2,0,0]=3 1400 B9R1.15 BrCc1cccnc1C 1P0019R8 [0,1,0,0,0,0|2,0,0]=3 1401 B9R1.15 BrCc1cccnc1Cl 1P003INP [0,1,0,0,0,0|2,0,0]=3 1402 B9R1.15 BrCc1cccnc1F 1P0030IZ [0,1,0,0,0,0|2,0,0]=3 1403 B9R1.15 BrCc1cccnc1N 1P01BH5R [0,1,0,0,0,0|2,0,0]=3 1404 B9R1.15 BrCc1cnccc1C 1P0019R7 [0,1,0,0,0,0|2,0,0]=3 1405 B9R1.15 BrCc1cnccc1Cl 1P027ZHG [0,1,0,0,0,0|2,0,0]=3 1406 B9R1.15 BrCc1cnccc1O 1P0291ZL [0,1,0,0,0,0|2,0,0]=3 1407 B9R1.15 BrCc1ncccc1Br 1P003AGB [0,1,0,0,0,0|2,0,0]=3 1408 B9R1.15 BrCc1ncccc1Br 1P01DX0S [0,1,0,0,0,0|2,0,0]=3 1409 B9R1.15 BrCc1ncccc1C 1P0091H2 [0,1,0,0,0,0|2,0,0]=3 1410 B9R1.15 BrCc1ncccc1Cl 1P000JRC [0,1,0,0,0,0|2,0,0]=3 1411 B9R1.15 BrCc1ncccc1F 1P0017JV [0,1,0,0,0,0|2,0,0]=3 1412 B9R1.15 BrCc1ncccc1F 1P009E6T [0,1,0,0,0,0|2,0,0]=3 1413 B9R1.15 BrCc1nccnc1C 1P027Z7H [0,1,0,0,0,0|1,0,0]=2 1414 B9R1.15 C#Cc1cccnc1Br 1P01Q8N6 [0,1,0,0,0,0|1,0,2]=4 1415 B9R1.15 C#Cc1cccnc1C 1P01DWS5 [0,1,0,0,0,0|1,0,2]=4 1416 B9R1.15 C#Cc1cccnc1Cl 1P008XA5 [0,1,0,0,0,0|1,0,2]=4 1417 B9R1.15 C#Cc1cccnc1F 1P00II22 [0,1,0,0,0,0|1,0,2]=4 1418 B9R1.15 C#Cc1cccnc1N 1P00IC61 [0,1,0,0,0,0|1,0,2]=4 1419 B9R1.15 C#Cc1cccnc1O 1P009GXT [0,1,0,0,0,0|1,0,2]=4 1420 B9R1.15 C#Cc1cnccc1C 1P00C31H [0,1,0,0,0,0|1,0,2]=4 1421 B9R1.15 C#Cc1cnccc1Cl 1P01C3NO [0,1,0,0,0,0|1,0,2]=4 1422 B9R1.15 C#Cc1cnccc1N 1P01FPD6 [0,1,0,0,0,0|1,0,2]=4 1423 B9R1.15 C#Cc1ncccc1Br 1P00IK9U [0,1,0,0,0,0|1,0,2]=4 1424 B9R1.15 C#Cc1ncccc1C 1P0030IS [0,1,0,0,0,0|1,0,2]=4 1425 B9R1.15 C#Cc1ncccc1Cl 1P018PQD [0,1,0,0,0,0|1,0,2]=4 1426 B9R1.15 C#Cc1ncccc1F 1P00HW89 [0,1,0,0,0,0|1,0,2]=4 1427 B9R1.15 C#Cc1ncccc1N 1P01K10R [0,1,0,0,0,0|1,0,2]=4 1428 B9R1.15 C#Cc1nccnc1Br 1P029319 [0,1,0,0,0,0|0,0,2]=3 1429 B9R1.15 C#Cc1nccnc1C 1P00C9LZ [0,1,0,0,0,0|0,0,2]=3 1430 B9R1.15 C#Cc1nccnc1Cl 1P0013PW [0,1,0,0,0,0|0,0,2]=3 1431 B9R1.15 C#Cc1nccnc1N 1P0002Q2 [0,1,0,0,0,0|0,0,2]=3 1432 B9R1.15 C=Cc1cccnc1C 1P00I8ZR [0,1,0,0,0,0|1,0,2]=4 1433 B9R1.15 C=Cc1cccnc1F 1P00HX8N [0,1,0,0,0,0|1,0,2]=4 1434 B9R1.15 C=Cc1ncccc1Br 1P004ZQ3 [0,1,0,0,0,0|1,0,2]=4 1435 B9R1.15 C=Cc1ncccc1C 1P00CC7K [0,1,0,0,0,0|1,0,2]=4 1436 B9R1.15 C=Cc1ncccc1F 1P01B626 [0,1,0,0,0,0|1,0,2]=4 1437 B9R1.15 C=Cc1nccnc1C 1P002QRI [0,1,0,0,0,0|0,0,2]=3 1438 B9R1.15 CC[n+]1ccccc1Br 1P003H2Q [0,1,0,0,0,0|3,0,0]=4 1439 B9R1.15 CC[n+]1ccccc1C 1P00IMY1 [0,1,0,0,0,0|3,0,0]=4 1440 B9R1.15 CCc1c[nH]ccc1=N 1P01AIO6 [0,1,0,0,0,0|1,0,1]=3 1441 B9R1.15 CCc1cccc[n+]1[O-] 1P00DCC2 [0,1,0,0,0,0|1,0,1]=3 1442 B9R1.15 CCc1ccccc1Br 1P002B7A [0,1,0,0,0,0|2,0,0]=3 1443 B9R1.15 CCc1ccccc1C 1P003HOX [0,1,0,0,0,0|2,0,0]=3 1444 B9R1.15 CCc1ccccc1F 1P00DDKE [0,1,0,0,0,0|2,0,0]=3 1445 B9R1.15 CCc1ccccc1I 1P0024MY [0,1,0,0,0,0|2,0,0]=3 1446 B9R1.15 CCc1ccccc1N 1P0037MR [0,1,0,0,0,0|2,0,0]=3 1447 B9R1.15 CCc1ccccc1S 1P003HO5 [0,1,0,0,0,0|2,0,0]=3 1448 B9R1.15 CCc1cccnc1Br 1P01CAQK [0,1,0,0,0,0|1,0,0]=2 1449 B9R1.15 CCc1cccnc1Cl 1P00IK9V [0,1,0,0,0,0|1,0,0]=2 1450 B9R1.15 CCc1cccnc1F 1P027X3Q [0,1,0,0,0,0|1,0,0]=2 1451 B9R1.15 CCc1cccnc1N 1P00BYMN [0,1,0,0,0,0|1,0,0]=2 1452 B9R1.15 CCc1cccnc1O 1P00EIVR [0,1,0,0,0,0|1,0,0]=2 1453 B9R1.15 CCc1ccn[nH]c1=O 1P000ZGP [0,1,0,0,0,0|2,0,1]=4 1454 B9R1.15 CCc1ccncc1Br 1P0078N0 [0,1,0,0,0,0|3,0,0]=4 1455 B9R1.15 CCc1ccncc1F 1P0013FK [0,1,0,0,0,0|3,0,0]=4 1456 B9R1.15 CCc1ccncc1N 1P008Z8R [0,1,0,0,0,0|3,0,0]=4 1457 B9R1.15 CCc1cnccc1Br 1P0023NT [0,1,0,0,0,0|1,0,0]=2 1458 B9R1.15 CCc1cnccc1Br 1P00ILG0 [0,1,0,0,0,0|1,0,0]=2 1459 B9R1.15 CCc1cnccc1O 1P00DYDN [0,1,0,0,0,0|1,0,0]=2 1460 B9R1.15 CCc1cncnc1Cl 1P00DC4L [0,1,0,0,0,0|2,0,0]=3 1461 B9R1.15 CCc1ncc[nH]c1=O 1P00BK7L [0,1,0,0,0,0|0,0,1]=2 1462 B9R1.15 CCc1ncc[nH]c1=O 1P01FLFE [0,1,0,0,0,0|0,0,1]=2 1463 B9R1.15 CCc1ncccc1Br 1P00CJAY [0,1,0,0,0,0|1,0,0]=2 1464 B9R1.15 CCc1ncccc1N 1P01C6YI [0,1,0,0,0,0|1,0,0]=2 1465 B9R1.15 CCc1ncccc1O 1P00EJRY [0,1,0,0,0,0|1,0,0]=2 1466 B9R1.15 CCc1nccnc1C 1P001PNQ [0,1,0,0,0,0|0,0,0]=1 1467 B9R1.15 CCc1nccnc1Cl 1P00E98L [0,1,0,0,0,0|0,0,0]=1 1468 B9R1.15 CCc1nccnc1N 1P00H35P [0,1,0,0,0,0|0,0,0]=1 1469 B9R1.15 CCc1ncncc1Br 1P0066T5 [0,1,0,0,0,0|2,0,0]=3 1470 B9R1.15 CCc1ncncc1F 1P0013GL [0,1,0,0,0,0|2,0,0]=3 1471 B9R1.15 CCc1ncncc1O 1P028W1X [0,1,0,0,0,0|2,0,0]=3 1472 B9R1.15 CCc1nnc[nH]c1=O 1P024UEL [0,1,0,0,0,0|1,0,1]=3 1473 B9R1.15 CNc1ccccc1Br 1P003H96 [0,1,0,0,0,0|3,0,0]=4 1474 B9R1.15 CNc1ccccc1Br 1P00IJUS [0,1,0,0,0,0|3,0,0]=4 1475 B9R1.15 CNc1ccccc1C 1P003TP2 [0,1,0,0,0,0|3,0,0]=4 1476 B9R1.15 CNc1ccccc1Cl 1P006I47 [0,1,0,0,0,0|3,0,0]=4 1477 B9R1.15 CNc1ccccc1F 1P002BI4 [0,1,0,0,0,0|3,0,0]=4 1478 B9R1.15 CNc1ccccc1I 1P019XX6 [0,1,0,0,0,0|3,0,0]=4 1479 B9R1.15 CNc1ccccc1N 1P002R3W [0,1,0,0,0,0|3,0,0]=4 1480 B9R1.15 CNc1ccccc1N 1P003T4H [0,1,0,0,0,0|3,0,0]=4 1481 B9R1.15 CNc1ccccc1O 1P0033UU [0,1,0,0,0,0|3,0,0]=4 1482 B9R1.15 CNc1ccccc1O 1P01K0W3 [0,1,0,0,0,0|3,0,0]=4 1483 B9R1.15 CNc1cccnc1Br 1P00GSNK [0,1,0,0,0,0|2,0,0]=3 1484 B9R1.15 CNc1cccnc1C 1P009SR0 [0,1,0,0,0,0|2,0,0]=3 1485 B9R1.15 CNc1cccnc1C 1P01AM0N [0,1,0,0,0,0|2,0,0]=3 1486 B9R1.15 CNc1cccnc1C 1P01FKVI [0,1,0,0,0,0|2,0,0]=3 1487 B9R1.15 CNc1cccnc1Cl 1P00I8HE [0,1,0,0,0,0|2,0,0]=3 1488 B9R1.15 CNc1cccnc1N 1P00ELAM [0,1,0,0,0,0|2,0,0]=3 1489 B9R1.15 CNc1cnccc1Br 1P01R0KB [0,1,0,0,0,0|2,0,0]=3 1490 B9R1.15 CNc1cnccc1C 1P005RQH [0,1,0,0,0,0|2,0,0]=3 1491 B9R1.15 CNc1cnccc1Cl 1P021R1K [0,1,0,0,0,0|2,0,0]=3 1492 B9R1.15 CNc1cnccc1N 1P00B4SE [0,1,0,0,0,0|2,0,0]=3 1493 B9R1.15 CNc1cnncc1Br 1P028ZY7 [0,1,0,0,0,0|3,0,0]=4 1494 B9R1.15 CNc1ncccc1Br 1P00BDBE [0,1,0,0,0,0|2,0,0]=3 1495 B9R1.15 CNc1ncccc1C 1P00B9IM [0,1,0,0,0,0|2,0,0]=3 1496 B9R1.15 CNc1ncccc1Cl 1P00DKL6 [0,1,0,0,0,0|2,0,0]=3 1497 B9R1.15 CNc1ncccc1F 1P00BJFB [0,1,0,0,0,0|2,0,0]=3 1498 B9R1.15 CNc1ncccc1I 1P000AOR [0,1,0,0,0,0|2,0,0]=3 1499 B9R1.15 CNc1ncccc1N 1P00DEDZ [0,1,0,0,0,0|2,0,0]=3 1500 B9R1.15 CNc1ncccc1N 1P019XCU [0,1,0,0,0,0|2,0,0]=3 1501 B9R1.15 CNc1nccnc1C 1P01IJES [0,1,0,0,0,0|1,0,0]=2 1502 B9R1.15 CNc1nccnc1Cl 1P00DD7L [0,1,0,0,0,0|1,0,0]=2 1503 B9R1.15 CNc1nccnc1N 1P004UKH [0,1,0,0,0,0|1,0,0]=2 1504 B9R1.15 CNc1ncncc1F 1P01BCYC [0,1,0,0,0,0|3,0,0]=4 1505 B9R1.15 CNc1ncncc1I 1P01BHFH [0,1,0,0,0,0|3,0,0]=4 1506 B9R1.15 CNc1ncncc1N 1P00AK2S [0,1,0,0,0,0|3,0,0]=4 1507 B9R1.15 COc1ccc[nH]c1=O 1P002KM2 [0,1,0,0,0,0|2,0,1]=4 1508 B9R1.15 COc1ccccc1Br 1P003H81 [0,1,0,0,0,0|3,0,0]=4 1509 B9R1.15 COc1ccccc1C 1P003I55 [0,1,0,0,0,0|3,0,0]=4 1510 B9R1.15 COc1ccccc1Cl 1P0033PR [0,1,0,0,0,0|3,0,0]=4 1511 B9R1.15 COc1ccccc1F 1P003HS1 [0,1,0,0,0,0|3,0,0]=4 1512 B9R1.15 COc1ccccc1I 1P0033TS [0,1,0,0,0,0|3,0,0]=4 1513 B9R1.15 COc1ccccc1N 1P003TWA [0,1,0,0,0,0|3,0,0]=4 1514 B9R1.15 COc1ccccc1N 1P003TWB [0,1,0,0,0,0|3,0,0]=4 1515 B9R1.15 COc1ccccc1O 1P003AR5 [0,1,0,0,0,0|3,0,0]=4 1516 B9R1.15 COc1ccccc1S 1P0033UE [0,1,0,0,0,0|3,0,0]=4 1517 B9R1.15 COc1cccnc1Br 1P006XU3 [0,1,0,0,0,0|2,0,0]=3 1518 B9R1.15 COc1cccnc1C 1P002TI0 [0,1,0,0,0,0|2,0,0]=3 1519 B9R1.15 COc1cccnc1Cl 1P00I9VJ [0,1,0,0,0,0|2,0,0]=3 1520 B9R1.15 COc1cccnc1F 1P001UE8 [0,1,0,0,0,0|2,0,0]=3 1521 B9R1.15 COc1cccnc1I 1P0062GY [0,1,0,0,0,0|2,0,0]=3 1522 B9R1.15 COc1cccnc1N 1P0006SA [0,1,0,0,0,0|2,0,0]=3 1523 B9R1.15 COc1cccnc1O 1P00I1BE [0,1,0,0,0,0|2,0,0]=3 1524 B9R1.15 COc1cccnc1S 1P00B36V [0,1,0,0,0,0|2,0,0]=3 1525 B9R1.15 COc1ccnnc1Cl 1P00KCV8 [0,1,0,0,0,0|3,0,0]=4 1526 B9R1.15 COc1ccnnc1N 1P01A698 [0,1,0,0,0,0|3,0,0]=4 1527 B9R1.15 COc1cnccc1Br 1P0038MU [0,1,0,0,0,0|2,0,0]=3 1528 B9R1.15 COc1cnccc1I 1P0014UJ [0,1,0,0,0,0|2,0,0]=3 1529 B9R1.15 COc1cnccc1N 1P00DBRZ [0,1,0,0,0,0|2,0,0]=3 1530 B9R1.15 COc1cncnc1Cl 1P00FCPO [0,1,0,0,0,0|3,0,0]=4 1531 B9R1.15 COc1cncnc1N 1P005WSA [0,1,0,0,0,0|3,0,0]=4 1532 B9R1.15 COc1cnncc1N 1P028BUQ [0,1,0,0,0,0|3,0,0]=4 1533 B9R1.15 COc1ncccc1Br 1P003JHD [0,1,0,0,0,0|2,0,0]=3 1534 B9R1.15 COc1ncccc1C 1P002GA3 [0,1,0,0,0,0|2,0,0]=3 1535 B9R1.15 COc1ncccc1Cl 1P003JNS [0,1,0,0,0,0|2,0,0]=3 1536 B9R1.15 COc1ncccc1F 1P004K0C [0,1,0,0,0,0|2,0,0]=3 1537 B9R1.15 COc1ncccc1I 1P003K1W [0,1,0,0,0,0|2,0,0]=3 1538 B9R1.15 COc1ncccc1N 1P003I18 [0,1,0,0,0,0|2,0,0]=3 1539 B9R1.15 COc1ncccc1O 1P009FJH [0,1,0,0,0,0|2,0,0]=3 1540 B9R1.15 COc1ncccc1S 1P01L01U [0,1,0,0,0,0|2,0,0]=3 1541 B9R1.15 COc1nccnc1Br 1P008ZI9 [0,1,0,0,0,0|1,0,0]=2 1542 B9R1.15 COc1nccnc1C 1P002VX2 [0,1,0,0,0,0|1,0,0]=2 1543 B9R1.15 COc1nccnc1C 1P00FAVU [0,1,0,0,0,0|1,0,0]=2 1544 B9R1.15 COc1nccnc1Cl 1P0075I4 [0,1,0,0,0,0|1,0,0]=2 1545 B9R1.15 COc1nccnc1F 1P023J7U [0,1,0,0,0,0|1,0,0]=2 1546 B9R1.15 COc1nccnc1I 1P00EHP1 [0,1,0,0,0,0|1,0,0]=2 1547 B9R1.15 COc1nccnc1N 1P00D9E1 [0,1,0,0,0,0|1,0,0]=2 1548 B9R1.15 COc1ncncc1Br 1P00DICH [0,1,0,0,0,0|3,0,0]=4 1549 B9R1.15 COc1ncncc1C 1P00ALUB [0,1,0,0,0,0|3,0,0]=4 1550 B9R1.15 COc1ncncc1Cl 1P000FZI [0,1,0,0,0,0|3,0,0]=4 1551 B9R1.15 COc1ncncc1F 1P008Z73 [0,1,0,0,0,0|3,0,0]=4 1552 B9R1.15 COc1ncncc1I 1P00I4QX [0,1,0,0,0,0|3,0,0]=4 1553 B9R1.15 COc1ncncc1N 1P001ONJ [0,1,0,0,0,0|3,0,0]=4 1554 B9R1.15 COc1nnccc1N 1P009X7F [0,1,0,0,0,0|3,0,0]=4 1555 B9R1.15 CSc1ccccc1Br 1P003H9R [0,1,0,0,0,0|3,0,0]=4 1556 B9R1.15 CSc1ccccc1C 1P001G42 [0,1,0,0,0,0|3,0,0]=4 1557 B9R1.15 CSc1ccccc1Cl 1P0025PI [0,1,0,0,0,0|3,0,0]=4 1558 B9R1.15 CSc1ccccc1F 1P003HSY [0,1,0,0,0,0|3,0,0]=4 1559 B9R1.15 CSc1ccccc1I 1P003HXO [0,1,0,0,0,0|3,0,0]=4 1560 B9R1.15 CSc1ccccc1N 1P003BJ8 [0,1,0,0,0,0|3,0,0]=4 1561 B9R1.15 CSc1ccccc1O 1P003HWT [0,1,0,0,0,0|3,0,0]=4 1562 B9R1.15 CSc1cccnc1Br 1P00J3CE [0,1,0,0,0,0|2,0,0]=3 1563 B9R1.15 CSc1cccnc1Cl 1P006P9R [0,1,0,0,0,0|2,0,0]=3 1564 B9R1.15 CSc1cccnc1F 1P00CGDU [0,1,0,0,0,0|2,0,0]=3 1565 B9R1.15 CSc1cccnc1N 1P00BB9C [0,1,0,0,0,0|2,0,0]=3 1566 B9R1.15 CSc1cnccc1N 1P01DL3L [0,1,0,0,0,0|2,0,0]=3 1567 B9R1.15 CSc1ncccc1Br 1P00DAU5 [0,1,0,0,0,0|2,0,0]=3 1568 B9R1.15 CSc1ncccc1C 1P01BWA1 [0,1,0,0,0,0|2,0,0]=3 1569 B9R1.15 CSc1ncccc1Cl 1P01DNYD [0,1,0,0,0,0|2,0,0]=3 1570 B9R1.15 CSc1ncccc1N 1P00J30S [0,1,0,0,0,0|2,0,0]=3 1571 B9R1.15 CSc1nccnc1C 1P002X49 [0,1,0,0,0,0|1,0,0]=2 1572 B9R1.15 ClCc1cccc[n+]1[O-] 1P00CNBP [0,1,0,0,0,0|2,0,1]=4 1573 B9R1.15 ClCc1ccccc1Cl 1P003BO7 [0,1,0,0,0,0|3,0,0]=4 1574 B9R1.15 ClCc1ccccc1F 1P003HSB [0,1,0,0,0,0|3,0,0]=4 1575 B9R1.15 ClCc1ccccc1I 1P003DJH [0,1,0,0,0,0|3,0,0]=4 1576 B9R1.15 ClCc1cccnc1C 1P00EKAT [0,1,0,0,0,0|2,0,0]=3 1577 B9R1.15 ClCc1cccnc1Cl 1P003HBI [0,1,0,0,0,0|2,0,0]=3 1578 B9R1.15 ClCc1cccnc1Cl 1P0093D5 [0,1,0,0,0,0|2,0,0]=3 1579 B9R1.15 ClCc1cccnc1F 1P00CM25 [0,1,0,0,0,0|2,0,0]=3 1580 B9R1.15 ClCc1cccnc1N 1P004OOU [0,1,0,0,0,0|2,0,0]=3 1581 B9R1.15 ClCc1cccnc1N 1P00G8NW [0,1,0,0,0,0|2,0,0]=3 1582 B9R1.15 ClCc1cnccc1C 1P001EJT [0,1,0,0,0,0|2,0,0]=3 1583 B9R1.15 ClCc1cnccc1Cl 1P01BD8C [0,1,0,0,0,0|2,0,0]=3 1584 B9R1.15 ClCc1nccc[n+]1[O-] 1P00CG6T [0,1,0,0,0,0|3,0,0]=4 1585 B9R1.15 ClCc1ncccc1Br 1P000K2H [0,1,0,0,0,0|2,0,0]=3 1586 B9R1.15 ClCc1ncccc1Br 1P001I6I [0,1,0,0,0,0|2,0,0]=3 1587 B9R1.15 ClCc1ncccc1C 1P00DBUW [0,1,0,0,0,0|2,0,0]=3 1588 B9R1.15 ClCc1ncccc1C 1P00DD4J [0,1,0,0,0,0|2,0,0]=3 1589 B9R1.15 ClCc1ncccc1Cl 1P000MGW [0,1,0,0,0,0|2,0,0]=3 1590 B9R1.15 ClCc1ncccc1Cl 1P003JMY [0,1,0,0,0,0|2,0,0]=3 1591 B9R1.15 ClCc1ncccc1F 1P001M6W [0,1,0,0,0,0|2,0,0]=3 1592 B9R1.15 ClCc1ncccc1F 1P001M7B [0,1,0,0,0,0|2,0,0]=3 1593 B9R1.15 ClCc1ncccc1O 1P005N12 [0,1,0,0,0,0|2,0,0]=3 1594 B9R1.15 ClCc1nccnc1C 1P001VYQ [0,1,0,0,0,0|1,0,0]=2 1595 B9R1.15 ClCc1nccnc1Cl 1P00DK1Z [0,1,0,0,0,0|1,0,0]=2 1596 B9R1.15 ClCc1nnccc1C 1P0221HR [0,1,0,0,0,0|3,0,0]=4 1597 B9R1.15 FCc1ccccc1Br 1P01JKVP [0,1,0,0,0,0|3,0,0]=4 1598 B9R1.15 ICc1ccccc1Cl 1P005V3O [0,1,0,0,0,0|3,0,0]=4 1599 B9R1.15 N#Cc1cccnc1Br 1P002ATH [0,1,0,0,0,0|2,0,1]=4 1600 B9R1.15 N#Cc1cccnc1C 1P00APLN [0,1,0,0,0,0|2,0,1]=4 1601 B9R1.15 N#Cc1cccnc1Cl 1P003HC0 [0,1,0,0,0,0|2,0,1]=4 1602 B9R1.15 N#Cc1cccnc1F 1P003JSK [0,1,0,0,0,0|2,0,1]=4 1603 B9R1.15 N#Cc1cccnc1N 1P002OUS [0,1,0,0,0,0|2,0,1]=4 1604 B9R1.15 N#Cc1cccnc1O 1P005X0B [0,1,0,0,0,0|2,0,1]=4 1605 B9R1.15 N#Cc1cccnc1S 1P00DD4P [0,1,0,0,0,0|2,0,1]=4 1606 B9R1.15 N#Cc1cnccc1Br 1P007Y3B [0,1,0,0,0,0|2,0,1]=4 1607 B9R1.15 N#Cc1cnccc1C 1P00IA6Z [0,1,0,0,0,0|2,0,1]=4 1608 B9R1.15 N#Cc1cnccc1Cl 1P0038TX [0,1,0,0,0,0|2,0,1]=4 1609 B9R1.15 N#Cc1cnccc1F 1P0084X0 [0,1,0,0,0,0|2,0,1]=4 1610 B9R1.15 N#Cc1cnccc1I 1P006WEY [0,1,0,0,0,0|2,0,1]=4 1611 B9R1.15 N#Cc1cnccc1N 1P001QK6 [0,1,0,0,0,0|2,0,1]=4 1612 B9R1.15 N#Cc1cnccc1O 1P00GV46 [0,1,0,0,0,0|2,0,1]=4 1613 B9R1.15 N#Cc1cnccc1S 1P01B5ML [0,1,0,0,0,0|2,0,1]=4 1614 B9R1.15 N#Cc1ncccc1Br 1P003JGX [0,1,0,0,0,0|2,0,1]=4 1615 B9R1.15 N#Cc1ncccc1C 1P002KUH [0,1,0,0,0,0|2,0,1]=4 1616 B9R1.15 N#Cc1ncccc1F 1P0033QJ [0,1,0,0,0,0|2,0,1]=4 1617 B9R1.15 N#Cc1ncccc1I 1P003K2H [0,1,0,0,0,0|2,0,1]=4 1618 B9R1.15 N#Cc1ncccc1N 1P003JBA [0,1,0,0,0,0|2,0,1]=4 1619 B9R1.15 N#Cc1ncccc1O 1P0033QK [0,1,0,0,0,0|2,0,1]=4 1620 B9R1.15 N#Cc1nccnc1Br 1P000NFI [0,1,0,0,0,0|1,0,1]=3 1621 B9R1.15 N#Cc1nccnc1C 1P00FAHW [0,1,0,0,0,0|1,0,1]=3 1622 B9R1.15 N#Cc1nccnc1Cl 1P00345A [0,1,0,0,0,0|1,0,1]=3 1623 B9R1.15 N#Cc1nccnc1N 1P002RGH [0,1,0,0,0,0|1,0,1]=3 1624 B9R1.15 N#Cc1nccnc1S 1P028YSA [0,1,0,0,0,0|1,0,1]=3 1625 B9R1.15 NCc1ccc[nH]c1=O 1P008FIL [0,1,0,0,0,0|2,0,1]=4 1626 B9R1.15 NCc1ccc[nH]c1=O 1P00AI7Z [0,1,0,0,0,0|2,0,1]=4 1627 B9R1.15 NCc1ccccc1Br 1P003H8D [0,1,0,0,0,0|3,0,0]=4 1628 B9R1.15 NCc1ccccc1Br 1P003H8E [0,1,0,0,0,0|3,0,0]=4 1629 B9R1.15 NCc1ccccc1C 1P0037DE [0,1,0,0,0,0|3,0,0]=4 1630 B9R1.15 NCc1ccccc1Cl 1P0033PV [0,1,0,0,0,0|3,0,0]=4 1631 B9R1.15 NCc1ccccc1Cl 1P00BGK2 [0,1,0,0,0,0|3,0,0]=4 1632 B9R1.15 NCc1ccccc1F 1P0033SE [0,1,0,0,0,0|3,0,0]=4 1633 B9R1.15 NCc1ccccc1I 1P007333 [0,1,0,0,0,0|3,0,0]=4 1634 B9R1.15 NCc1ccccc1I 1P00C7RL [0,1,0,0,0,0|3,0,0]=4 1635 B9R1.15 NCc1ccccc1N 1P00DEQ7 [0,1,0,0,0,0|3,0,0]=4 1636 B9R1.15 NCc1ccccc1O 1P003FFO [0,1,0,0,0,0|3,0,0]=4 1637 B9R1.15 NCc1ccccc1O 1P00EIWG [0,1,0,0,0,0|3,0,0]=4 1638 B9R1.15 NCc1ccccc1O 1P01DLDC [0,1,0,0,0,0|3,0,0]=4 1639 B9R1.15 NCc1cccnc1Br 1P002ARU [0,1,0,0,0,0|2,0,0]=3 1640 B9R1.15 NCc1cccnc1Br 1P028CUY [0,1,0,0,0,0|2,0,0]=3 1641 B9R1.15 NCc1cccnc1C 1P00EDWW [0,1,0,0,0,0|2,0,0]=3 1642 B9R1.15 NCc1cccnc1C 1P00IAV8 [0,1,0,0,0,0|2,0,0]=3 1643 B9R1.15 NCc1cccnc1Cl 1P002ARV [0,1,0,0,0,0|2,0,0]=3 1644 B9R1.15 NCc1cccnc1Cl 1P00A0HW [0,1,0,0,0,0|2,0,0]=3 1645 B9R1.15 NCc1cccnc1Cl 1P00AAIK [0,1,0,0,0,0|2,0,0]=3 1646 B9R1.15 NCc1cccnc1F 1P002ART [0,1,0,0,0,0|2,0,0]=3 1647 B9R1.15 NCc1cccnc1F 1P004N9V [0,1,0,0,0,0|2,0,0]=3 1648 B9R1.15 NCc1cccnc1I 1P028H2F [0,1,0,0,0,0|2,0,0]=3 1649 B9R1.15 NCc1cccnc1N 1P001JPL [0,1,0,0,0,0|2,0,0]=3 1650 B9R1.15 NCc1cnccc1Br 1P00A1FX [0,1,0,0,0,0|2,0,0]=3 1651 B9R1.15 NCc1cnccc1C 1P001JR8 [0,1,0,0,0,0|2,0,0]=3 1652 B9R1.15 NCc1cnccc1C 1P01C1KV [0,1,0,0,0,0|2,0,0]=3 1653 B9R1.15 NCc1cnccc1Cl 1P00K2ZK [0,1,0,0,0,0|2,0,0]=3 1654 B9R1.15 NCc1cnccc1Cl 1P019FAL [0,1,0,0,0,0|2,0,0]=3 1655 B9R1.15 NCc1cnccc1N 1P01AGC1 [0,1,0,0,0,0|2,0,0]=3 1656 B9R1.15 NCc1cnccc1O 1P02056P [0,1,0,0,0,0|2,0,0]=3 1657 B9R1.15 NCc1cncnc1N 1P01A1P3 [0,1,0,0,0,0|3,0,0]=4 1658 B9R1.15 NCc1cncnc1N 1P024TUQ [0,1,0,0,0,0|3,0,0]=4 1659 B9R1.15 NCc1ncccc1Br 1P008XMS [0,1,0,0,0,0|2,0,0]=3 1660 B9R1.15 NCc1ncccc1Br 1P01B5Q6 [0,1,0,0,0,0|2,0,0]=3 1661 B9R1.15 NCc1ncccc1Br 1P01B673 [0,1,0,0,0,0|2,0,0]=3 1662 B9R1.15 NCc1ncccc1C 1P0038IX [0,1,0,0,0,0|2,0,0]=3 1663 B9R1.15 NCc1ncccc1C 1P003AQ0 [0,1,0,0,0,0|2,0,0]=3 1664 B9R1.15 NCc1ncccc1C 1P00IN6R [0,1,0,0,0,0|2,0,0]=3 1665 B9R1.15 NCc1ncccc1Cl 1P007HCB [0,1,0,0,0,0|2,0,0]=3 1666 B9R1.15 NCc1ncccc1Cl 1P00DGS6 [0,1,0,0,0,0|2,0,0]=3 1667 B9R1.15 NCc1ncccc1F 1P000S1P [0,1,0,0,0,0|2,0,0]=3 1668 B9R1.15 NCc1ncccc1F 1P0039LA [0,1,0,0,0,0|2,0,0]=3 1669 B9R1.15 NCc1ncccc1F 1P00CBG3 [0,1,0,0,0,0|2,0,0]=3 1670 B9R1.15 NCc1ncccc1N 1P001JPJ [0,1,0,0,0,0|2,0,0]=3 1671 B9R1.15 NCc1ncccc1O 1P00BBSC [0,1,0,0,0,0|2,0,0]=3 1672 B9R1.15 NCc1ncccc1O 1P01FIC3 [0,1,0,0,0,0|2,0,0]=3 1673 B9R1.15 NCc1nccnc1C 1P00HYI0 [0,1,0,0,0,0|1,0,0]=2 1674 B9R1.15 NCc1nccnc1C 1P01JUQD [0,1,0,0,0,0|1,0,0]=2 1675 B9R1.15 NCc1nccnc1Cl 1P0036SQ [0,1,0,0,0,0|1,0,0]=2 1676 B9R1.15 NCc1nccnc1Cl 1P005Y3P [0,1,0,0,0,0|1,0,0]=2 1677 B9R1.15 NCc1nccnc1N 1P002RGF [0,1,0,0,0,0|1,0,0]=2 1678 B9R1.15 NCc1nccnc1O 1P028A3M [0,1,0,0,0,0|1,0,0]=2 1679 B9R1.15 NCc1nnc[nH]c1=O 1P01AF74 [0,1,0,0,0,0|2,0,1]=4 1680 B9R1.15 NCc1nnccc1C 1P0293V7 [0,1,0,0,0,0|3,0,0]=4 1681 B9R1.15 NNc1cccnc1C 1P00IMPU [0,1,0,0,0,0|3,0,0]=4 1682 B9R1.15 NNc1cccnc1Cl 1P000E63 [0,1,0,0,0,0|3,0,0]=4 1683 B9R1.15 NNc1cccnc1F 1P0240I2 [0,1,0,0,0,0|3,0,0]=4 1684 B9R1.15 NNc1ncccc1Br 1P00DFZM [0,1,0,0,0,0|3,0,0]=4 1685 B9R1.15 NNc1ncccc1C 1P00DDGM [0,1,0,0,0,0|3,0,0]=4 1686 B9R1.15 NNc1ncccc1Cl 1P003JNN [0,1,0,0,0,0|3,0,0]=4 1687 B9R1.15 NNc1ncccc1F 1P0036QS [0,1,0,0,0,0|3,0,0]=4 1688 B9R1.15 NNc1ncccc1N 1P01B6SP [0,1,0,0,0,0|3,0,0]=4 1689 B9R1.15 NNc1nccnc1C 1P002C0X [0,1,0,0,0,0|2,0,0]=3 1690 B9R1.15 NNc1nccnc1Cl 1P003HC9 [0,1,0,0,0,0|2,0,0]=3 1691 B9R1.15 NNc1nccnc1F 1P00R6M7 [0,1,0,0,0,0|2,0,0]=3 1692 B9R1.15 O=Cc1cccnc1Br 1P000Y70 [0,1,0,0,0,0|2,0,1]=4 1693 B9R1.15 O=Cc1cccnc1C 1P00EDM2 [0,1,0,0,0,0|2,0,1]=4 1694 B9R1.15 O=Cc1cccnc1Cl 1P003HC8 [0,1,0,0,0,0|2,0,1]=4 1695 B9R1.15 O=Cc1cccnc1F 1P003991 [0,1,0,0,0,0|2,0,1]=4 1696 B9R1.15 O=Cc1cccnc1N 1P0033JT [0,1,0,0,0,0|2,0,1]=4 1697 B9R1.15 O=Cc1cccnc1O 1P01XDHM [0,1,0,0,0,0|2,0,1]=4 1698 B9R1.15 O=Cc1cnccc1Br 1P000G6U [0,1,0,0,0,0|2,0,1]=4 1699 B9R1.15 O=Cc1cnccc1Br 1P00AP7I [0,1,0,0,0,0|2,0,1]=4 1700 B9R1.15 O=Cc1cnccc1C 1P00D9CN [0,1,0,0,0,0|2,0,1]=4 1701 B9R1.15 O=Cc1cnccc1Cl 1P000AXW [0,1,0,0,0,0|2,0,1]=4 1702 B9R1.15 O=Cc1cnccc1N 1P0037OR [0,1,0,0,0,0|2,0,1]=4 1703 B9R1.15 O=Cc1cnccc1N 1P00619R [0,1,0,0,0,0|2,0,1]=4 1704 B9R1.15 O=Cc1cnccc1O 1P0036Q3 [0,1,0,0,0,0|2,0,1]=4 1705 B9R1.15 O=Cc1ncccc1Br 1P00342J [0,1,0,0,0,0|2,0,1]=4 1706 B9R1.15 O=Cc1ncccc1C 1P003K64 [0,1,0,0,0,0|2,0,1]=4 1707 B9R1.15 O=Cc1ncccc1Cl 1P002B0R [0,1,0,0,0,0|2,0,1]=4 1708 B9R1.15 O=Cc1ncccc1F 1P00346F [0,1,0,0,0,0|2,0,1]=4 1709 B9R1.15 O=Cc1ncccc1N 1P0037JT [0,1,0,0,0,0|2,0,1]=4 1710 B9R1.15 O=Cc1ncccc1O 1P007SB0 [0,1,0,0,0,0|2,0,1]=4 1711 B9R1.15 O=Cc1nccnc1C 1P00BGLJ [0,1,0,0,0,0|1,0,1]=3 1712 B9R1.15 O=Cc1nccnc1Cl 1P0081RE [0,1,0,0,0,0|1,0,1]=3 1713 B9R1.15 O=Cc1nccnc1F 1P00I4F3 [0,1,0,0,0,0|1,0,1]=3 1714 B9R1.15 O=Cc1nccnc1N 1P0039AI [0,1,0,0,0,0|1,0,1]=3 1715 B9R1.15 O=c1c(ncc[nH]1)C#N 1P008MV8 [0,1,0,0,0,0|1,0,2]=4 1716 B9R1.15 OCc1ccc[nH]c1=O 1P00C95U [0,1,0,0,0,0|2,0,1]=4 1717 B9R1.15 OCc1cccc[n+]1C 1P007HR4 [0,1,0,0,0,0|2,0,1]=4 1718 B9R1.15 OCc1ccccc1Br 1P002EHD [0,1,0,0,0,0|3,0,0]=4 1719 B9R1.15 OCc1ccccc1Br 1P004WEF [0,1,0,0,0,0|3,0,0]=4 1720 B9R1.15 OCc1ccccc1C 1P003I5H [0,1,0,0,0,0|3,0,0]=4 1721 B9R1.15 OCc1ccccc1Cl 1P0026K3 [0,1,0,0,0,0|3,0,0]=4 1722 B9R1.15 OCc1ccccc1F 1P003BOX [0,1,0,0,0,0|3,0,0]=4 1723 B9R1.15 OCc1ccccc1I 1P00DF4T [0,1,0,0,0,0|3,0,0]=4 1724 B9R1.15 OCc1ccccc1N 1P0033KS [0,1,0,0,0,0|3,0,0]=4 1725 B9R1.15 OCc1ccccc1O 1P00IGEK [0,1,0,0,0,0|3,0,0]=4 1726 B9R1.15 OCc1ccccc1S 1P003HZ0 [0,1,0,0,0,0|3,0,0]=4 1727 B9R1.15 OCc1cccnc1Br 1P001054 [0,1,0,0,0,0|2,0,0]=3 1728 B9R1.15 OCc1cccnc1C 1P003BPS [0,1,0,0,0,0|2,0,0]=3 1729 B9R1.15 OCc1cccnc1Cl 1P003C3A [0,1,0,0,0,0|2,0,0]=3 1730 B9R1.15 OCc1cccnc1F 1P001053 [0,1,0,0,0,0|2,0,0]=3 1731 B9R1.15 OCc1cccnc1N 1P002OD6 [0,1,0,0,0,0|2,0,0]=3 1732 B9R1.15 OCc1ccnnc1C 1P00I3WD [0,1,0,0,0,0|3,0,0]=4 1733 B9R1.15 OCc1cnccc1Br 1P00AQMY [0,1,0,0,0,0|2,0,0]=3 1734 B9R1.15 OCc1cnccc1C 1P00D9CV [0,1,0,0,0,0|2,0,0]=3 1735 B9R1.15 OCc1cnccc1Cl 1P002E5M [0,1,0,0,0,0|2,0,0]=3 1736 B9R1.15 OCc1cnccc1Cl 1P002OUG [0,1,0,0,0,0|2,0,0]=3 1737 B9R1.15 OCc1cnccc1N 1P0018HB [0,1,0,0,0,0|2,0,0]=3 1738 B9R1.15 OCc1cncnc1C 1P01A6T5 [0,1,0,0,0,0|3,0,0]=4 1739 B9R1.15 OCc1cncnc1Cl 1P00CO18 [0,1,0,0,0,0|3,0,0]=4 1740 B9R1.15 OCc1cncnc1N 1P00558M [0,1,0,0,0,0|3,0,0]=4 1741 B9R1.15 OCc1ncccc1Br 1P0037LG [0,1,0,0,0,0|2,0,0]=3 1742 B9R1.15 OCc1ncccc1C 1P00E9TF [0,1,0,0,0,0|2,0,0]=3 1743 B9R1.15 OCc1ncccc1Cl 1P00ED23 [0,1,0,0,0,0|2,0,0]=3 1744 B9R1.15 OCc1ncccc1F 1P00BETC [0,1,0,0,0,0|2,0,0]=3 1745 B9R1.15 OCc1ncccc1N 1P003JAQ [0,1,0,0,0,0|2,0,0]=3 1746 B9R1.15 OCc1ncccc1O 1P001CZ5 [0,1,0,0,0,0|2,0,0]=3 1747 B9R1.15 OCc1ncccc1O 1P001HER [0,1,0,0,0,0|2,0,0]=3 1748 B9R1.15 OCc1nccnc1C 1P001VUR [0,1,0,0,0,0|1,0,0]=2 1749 B9R1.15 OCc1nccnc1Cl 1P0041GK [0,1,0,0,0,0|1,0,0]=2 1750 B9R1.15 OCc1nccnc1N 1P00CJWI [0,1,0,0,0,0|1,0,0]=2 1751 B9R1.15 OCc1ncncc1Br 1P0034OU [0,1,0,0,0,0|3,0,0]=4 1752 B9R1.15 OCc1ncncc1N 1P001ODL [0,1,0,0,0,0|3,0,0]=4 1753 B9R1.15 SCc1ccccc1Br 1P001J1L [0,1,0,0,0,0|3,0,0]=4 1754 B9R1.15 SCc1ccccc1C 1P003B52 [0,1,0,0,0,0|3,0,0]=4 1755 B9R1.15 SCc1ccccc1Cl 1P003HIA [0,1,0,0,0,0|3,0,0]=4 1756 B9R1.15 SCc1ccccc1F 1P00FDHP [0,1,0,0,0,0|3,0,0]=4 1757 B9R1.15 SCc1ccccc1N 1P0284O8 [0,1,0,0,0,0|3,0,0]=4 1758 B9R1.15 [C-]#[N+]c1ncccc1C 1P01SF7K [0,1,0,0,0,0|2,0,1]=4 1759 B7R0.1 CCC=CC=CC=O 1P00E9KG [0,0,1,0,0,0|2,0,0]=3 1760 B7R0.1 CC\C=C/CCC=O 1P003PFX [0,0,1,0,0,0|2,0,1]=4 1761 B7R0.1 CC\C=C\C=C\C=O 1P003VBB [0,0,1,0,0,0|2,0,0]=3 1762 B7R0.3 CCC(=O)CCC=C 1P01A9QQ [0,0,1,0,0,0|2,0,1]=4 1763 B7R0.3 COC(=O)C=CC=C 1P001NUD [0,0,1,0,0,0|3,0,0]=4 1764 B7R0.3 COC(=O)\C=C\C=C 1P01E4CN [0,0,1,0,0,0|3,0,0]=4 1765 B7R0.12 O\N=C\C(=N\O)\CCl 1P01ANUZ [0,0,1,0,0,0|3,0,0]=4 1766 B9R2.50 c1ccc2c(c1)CC2 1P003OIP [0,0,0,1,0,0|2,0,0]=3 1767 B7R1.1 BrCc1c[nH]cn1 1P00DKVA [0,0,0,0,1,0|1,0,1]=3 1768 B7R1.1 BrCc1c[nH]nc1 1P01BAG9 [0,0,0,0,1,0|2,0,0]=3 1769 B7R1.1 BrCc1cc[nH]n1 1P01BBQF [0,0,0,0,1,0|2,0,0]=3 1770 B7R1.1 BrCc1cccs1 1P003A54 [0,0,0,0,1,0|2,0,0]=3 1771 B7R1.1 BrCc1ccno1 1P005IU1 [0,0,0,0,1,0|2,0,0]=3 1772 B7R1.1 BrCc1ccns1 1P00BNV7 [0,0,0,0,1,0|2,0,0]=3 1773 B7R1.1 BrCc1ccon1 1P005JQO [0,0,0,0,1,0|2,0,0]=3 1774 B7R1.1 BrCc1cnco1 1P000X8S [0,0,0,0,1,0|2,0,0]=3 1775 B7R1.1 BrCc1cncs1 1P00IJOS [0,0,0,0,1,0|2,0,0]=3 1776 B7R1.1 BrCc1cnns1 1P01BBDX [0,0,0,0,1,0|3,0,0]=4 1777 B7R1.1 BrCc1cnon1 1P01DTB8 [0,0,0,0,1,0|2,0,0]=3 1778 B7R1.1 BrCc1cnsn1 1P019SY8 [0,0,0,0,1,0|2,0,0]=3 1779 B7R1.1 BrCc1cocc1 1P00ED8I [0,0,0,0,1,0|2,0,0]=3 1780 B7R1.1 BrCc1cocn1 1P008U5Y [0,0,0,0,1,0|2,0,0]=3 1781 B7R1.1 BrCc1conc1 1P00E9OI [0,0,0,0,1,0|2,0,0]=3 1782 B7R1.1 BrCc1cscn1 1P0036OC [0,0,0,0,1,0|2,0,0]=3 1783 B7R1.1 BrCc1ncc[nH]1 1P002YQ4 [0,0,0,0,1,0|1,0,1]=3 1784 B7R1.1 BrCc1ncco1 1P01XD2T [0,0,0,0,1,0|2,0,0]=3 1785 B7R1.1 BrCc1nccs1 1P000T52 [0,0,0,0,1,0|2,0,0]=3 1786 B7R1.1 BrCc1ncno1 1P01C6TW [0,0,0,0,1,0|2,0,0]=3 1787 B7R1.1 BrCc1nocn1 1P00J373 [0,0,0,0,1,0|2,0,0]=3 1788 B7R1.1 BrCn1cccn1 1P01B9DJ [0,0,0,0,1,0|2,0,0]=3 1789 B7R1.1 C#Cc1c[nH]nc1 1P003AFJ [0,0,0,0,1,0|1,0,2]=4 1790 B7R1.1 C#Cc1cccs1 1P0038AO [0,0,0,0,1,0|1,0,2]=4 1791 B7R1.1 C#Cc1ccn[nH]1 1P00BJWR [0,0,0,0,1,0|1,0,2]=4 1792 B7R1.1 C#Cc1ccns1 1P01C36A [0,0,0,0,1,0|1,0,2]=4 1793 B7R1.1 C#Cc1ccon1 1P0276M0 [0,0,0,0,1,0|1,0,2]=4 1794 B7R1.1 C#Cc1ccsn1 1P01DRYT [0,0,0,0,1,0|1,0,2]=4 1795 B7R1.1 C#Cc1cnc[nH]1 1P00EM44 [0,0,0,0,1,0|0,0,3]=4 1796 B7R1.1 C#Cc1cnco1 1P01DRZ2 [0,0,0,0,1,0|1,0,2]=4 1797 B7R1.1 C#Cc1cncs1 1P004NIS [0,0,0,0,1,0|1,0,2]=4 1798 B7R1.1 C#Cc1cocc1 1P00DGD0 [0,0,0,0,1,0|1,0,2]=4 1799 B7R1.1 C#Cc1cscc1 1P003JVK [0,0,0,0,1,0|1,0,2]=4 1800 B7R1.1 C#Cc1cscn1 1P007ATS [0,0,0,0,1,0|1,0,2]=4 1801 B7R1.1 C#Cc1csnc1 1P01EN98 [0,0,0,0,1,0|1,0,2]=4 1802 B7R1.1 C#Cc1ncco1 1P028X1G [0,0,0,0,1,0|1,0,2]=4 1803 B7R1.1 C#Cc1nccs1 1P0082O0 [0,0,0,0,1,0|1,0,2]=4 1804 B7R1.1 C=Cc1c[nH]cn1 1P01BJ1I [0,0,0,0,1,0|0,0,3]=4 1805 B7R1.1 C=Cc1c[nH]nc1 1P027OES [0,0,0,0,1,0|1,0,2]=4 1806 B7R1.1 C=Cc1cc[nH]n1 1P003AWK [0,0,0,0,1,0|1,0,2]=4 1807 B7R1.1 C=Cc1ccco1 1P001LLL [0,0,0,0,1,0|1,0,2]=4 1808 B7R1.1 C=Cc1cccs1 1P002FXU [0,0,0,0,1,0|1,0,2]=4 1809 B7R1.1 C=Cc1cncs1 1P01BRJP [0,0,0,0,1,0|1,0,2]=4 1810 B7R1.1 C=Cc1cscc1 1P0012UB [0,0,0,0,1,0|1,0,2]=4 1811 B7R1.1 C=Cc1ncc[nH]1 1P00DIAP [0,0,0,0,1,0|0,0,3]=4 1812 B7R1.1 C=Cc1ncc[nH]1 1P0285M8 [0,0,0,0,1,0|0,0,3]=4 1813 B7R1.1 C=Cc1nccs1 1P00HVP0 [0,0,0,0,1,0|1,0,2]=4 1814 B7R1.1 C=Cn1cccn1 1P00289Z [0,0,0,0,1,0|1,0,2]=4 1815 B7R1.1 C=Cn1cncn1 1P00C4CH [0,0,0,0,1,0|1,0,2]=4 1816 B7R1.1 CCC1=CCCC1 1P003ER5 [0,0,0,0,1,0|1,0,2]=4 1817 B7R1.1 CCC1=NCCO1 1P003HNL [0,0,0,0,1,0|1,0,2]=4 1818 B7R1.1 CCC1CC=NN1 1P02929M [0,0,0,0,1,0|1,0,2]=4 1819 B7R1.1 CCC1NCC=C1 1P008W14 [0,0,0,0,1,0|0,0,3]=4 1820 B7R1.1 CCC1NCC=C1 1P00J2F3 [0,0,0,0,1,0|0,0,3]=4 1821 B7R1.1 CC[C-]1C=CC=C1 1P000XD7 [0,0,0,0,1,0|1,0,1]=3 1822 B7R1.1 CC[C-]1C=CC=C1 1P000XD9 [0,0,0,0,1,0|1,0,1]=3 1823 B7R1.1 CCc1c[nH]cc1 1P00APDI [0,0,0,0,1,0|0,0,1]=2 1824 B7R1.1 CCc1c[nH]nc1 1P00B6AX [0,0,0,0,1,0|1,0,0]=2 1825 B7R1.1 CCc1cc[nH]n1 1P0018FG [0,0,0,0,1,0|1,0,0]=2 1826 B7R1.1 CCc1ccc[nH]1 1P0033RK [0,0,0,0,1,0|0,0,1]=2 1827 B7R1.1 CCc1ccco1 1P003HOB [0,0,0,0,1,0|1,0,0]=2 1828 B7R1.1 CCc1cccs1 1P003HOV [0,0,0,0,1,0|1,0,0]=2 1829 B7R1.1 CCc1ccon1 1P028EIU [0,0,0,0,1,0|1,0,0]=2 1830 B7R1.1 CCc1cn[nH]n1 1P024SQ7 [0,0,0,0,1,0|1,0,0]=2 1831 B7R1.1 CCc1cnc[nH]1 1P001J1R [0,0,0,0,1,0|0,0,1]=2 1832 B7R1.1 CCc1cnco1 1P007IH6 [0,0,0,0,1,0|1,0,0]=2 1833 B7R1.1 CCc1cocn1 1P01B79E [0,0,0,0,1,0|1,0,0]=2 1834 B7R1.1 CCc1cscc1 1P0027I2 [0,0,0,0,1,0|1,0,0]=2 1835 B7R1.1 CCc1cscn1 1P00250B [0,0,0,0,1,0|1,0,0]=2 1836 B7R1.1 CCc1csnc1 1P01BYG2 [0,0,0,0,1,0|1,0,0]=2 1837 B7R1.1 CCc1n[nH]cn1 1P0039JI [0,0,0,0,1,0|1,0,0]=2 1838 B7R1.1 CCc1n[nH]nn1 1P001XG5 [0,0,0,0,1,0|2,0,0]=3 1839 B7R1.1 CCc1ncc[nH]1 1P003BOK [0,0,0,0,1,0|0,0,1]=2 1840 B7R1.1 CCc1nccs1 1P001PGS [0,0,0,0,1,0|1,0,0]=2 1841 B7R1.1 CCc1nnco1 1P000WQS [0,0,0,0,1,0|2,0,0]=3 1842 B7R1.1 CCc1nnn[nH]1 1P00DLXP [0,0,0,0,1,0|2,0,0]=3 1843 B7R1.1 CCn1cccc1 1P00EBJW [0,0,0,0,1,0|2,0,0]=3 1844 B7R1.1 CCn1cccn1 1P003ES5 [0,0,0,0,1,0|1,0,0]=2 1845 B7R1.1 CCn1ccnn1 1P00K7KQ [0,0,0,0,1,0|2,0,0]=3 1846 B7R1.1 CCn1ccnn1 1P028VSK [0,0,0,0,1,0|2,0,0]=3 1847 B7R1.1 CCn1cncc1 1P003ES2 [0,0,0,0,1,0|1,0,0]=2 1848 B7R1.1 CCn1cncn1 1P001Y2E [0,0,0,0,1,0|1,0,0]=2 1849 B7R1.1 CCn1cnnc1 1P00DUIQ [0,0,0,0,1,0|2,0,0]=3 1850 B7R1.1 CCn1cnnn1 1P002QYP [0,0,0,0,1,0|2,0,0]=3 1851 B7R1.1 CNc1c[nH]nc1 1P019TPX [0,0,0,0,1,0|2,0,0]=3 1852 B7R1.1 CNc1cc[nH]n1 1P00E6KF [0,0,0,0,1,0|2,0,0]=3 1853 B7R1.1 CNc1ccon1 1P00HS5D [0,0,0,0,1,0|2,0,0]=3 1854 B7R1.1 CNc1ccon1 1P00IAF9 [0,0,0,0,1,0|2,0,0]=3 1855 B7R1.1 CNc1ccsn1 1P028UZC [0,0,0,0,1,0|2,0,0]=3 1856 B7R1.1 CNc1cnn[nH]1 1P0282XF [0,0,0,0,1,0|2,0,1]=4 1857 B7R1.1 CNc1cscc1 1P01B2HP [0,0,0,0,1,0|2,0,0]=3 1858 B7R1.1 CNc1n[nH]cn1 1P00B5HT [0,0,0,0,1,0|2,0,0]=3 1859 B7R1.1 CNc1ncc[nH]1 1P01BE1C [0,0,0,0,1,0|1,0,1]=3 1860 B7R1.1 CNc1ncco1 1P0039ZY [0,0,0,0,1,0|2,0,0]=3 1861 B7R1.1 CNc1nccs1 1P00EGBN [0,0,0,0,1,0|2,0,0]=3 1862 B7R1.1 CNc1nnco1 1P01BTTZ [0,0,0,0,1,0|3,0,0]=4 1863 B7R1.1 CNc1nncs1 1P00I84C [0,0,0,0,1,0|3,0,0]=4 1864 B7R1.1 CNc1nnn[nH]1 1P01B73J [0,0,0,0,1,0|3,0,0]=4 1865 B7R1.1 CNc1nnn[nH]1 1P01B73U [0,0,0,0,1,0|3,0,0]=4 1866 B7R1.1 CNc1nnns1 1P01C5MX [0,0,0,0,1,0|3,0,0]=4 1867 B7R1.1 CNn1cccc1 1P02902L [0,0,0,0,1,0|3,0,0]=4 1868 B7R1.1 COc1c[nH]cn1 1P0048ET [0,0,0,0,1,0|1,0,1]=3 1869 B7R1.1 COc1c[nH]nc1 1P001LPP [0,0,0,0,1,0|2,0,0]=3 1870 B7R1.1 COc1c[nH]nc1 1P01B6QU [0,0,0,0,1,0|2,0,0]=3 1871 B7R1.1 COc1cc[nH]n1 1P00I4N8 [0,0,0,0,1,0|2,0,0]=3 1872 B7R1.1 COc1cccs1 1P001YI0 [0,0,0,0,1,0|2,0,0]=3 1873 B7R1.1 COc1ccsn1 1P01BDQO [0,0,0,0,1,0|2,0,0]=3 1874 B7R1.1 COc1cscc1 1P0021M3 [0,0,0,0,1,0|2,0,0]=3 1875 B7R1.1 COc1nccs1 1P001DHP [0,0,0,0,1,0|2,0,0]=3 1876 B7R1.1 COc1nncs1 1P004Y6Z [0,0,0,0,1,0|3,0,0]=4 1877 B7R1.1 CSc1c[nH]cn1 1P0036YT [0,0,0,0,1,0|1,0,1]=3 1878 B7R1.1 CSc1c[nH]nc1 1P009JTI [0,0,0,0,1,0|2,0,0]=3 1879 B7R1.1 CSc1cc[nH]n1 1P0283LV [0,0,0,0,1,0|2,0,0]=3 1880 B7R1.1 CSc1ccc[nH]1 1P01ID3L [0,0,0,0,1,0|1,0,1]=3 1881 B7R1.1 CSc1ccco1 1P000WBV [0,0,0,0,1,0|2,0,0]=3 1882 B7R1.1 CSc1cccs1 1P0033CD [0,0,0,0,1,0|2,0,0]=3 1883 B7R1.1 CSc1cncs1 1P01BU59 [0,0,0,0,1,0|2,0,0]=3 1884 B7R1.1 CSc1cscc1 1P002JFX [0,0,0,0,1,0|2,0,0]=3 1885 B7R1.1 CSc1n[nH]nn1 1P002Z34 [0,0,0,0,1,0|3,0,0]=4 1886 B7R1.1 CSc1ncc[nH]1 1P003FKB [0,0,0,0,1,0|1,0,1]=3 1887 B7R1.1 CSc1ncco1 1P002DMB [0,0,0,0,1,0|2,0,0]=3 1888 B7R1.1 CSc1nccs1 1P003BJA [0,0,0,0,1,0|2,0,0]=3 1889 B7R1.1 CSc1nnc[nH]1 1P005U9S [0,0,0,0,1,0|2,0,1]=4 1890 B7R1.1 CSc1nnc[nH]1 1P028EL9 [0,0,0,0,1,0|2,0,1]=4 1891 B7R1.1 CSc1nncs1 1P028THD [0,0,0,0,1,0|3,0,0]=4 1892 B7R1.1 ClCc1c[nH]cn1 1P00I84M [0,0,0,0,1,0|1,0,1]=3 1893 B7R1.1 ClCc1c[nH]nc1 1P001U3B [0,0,0,0,1,0|2,0,0]=3 1894 B7R1.1 ClCc1c[nH]nn1 1P01B9YX [0,0,0,0,1,0|2,0,1]=4 1895 B7R1.1 ClCc1cc[nH]n1 1P003IO3 [0,0,0,0,1,0|2,0,0]=3 1896 B7R1.1 ClCc1cccs1 1P005XFR [0,0,0,0,1,0|2,0,0]=3 1897 B7R1.1 ClCc1ccno1 1P00ECFK [0,0,0,0,1,0|2,0,0]=3 1898 B7R1.1 ClCc1ccns1 1P0078AS [0,0,0,0,1,0|2,0,0]=3 1899 B7R1.1 ClCc1ccon1 1P00IAQH [0,0,0,0,1,0|2,0,0]=3 1900 B7R1.1 ClCc1ccsn1 1P020M65 [0,0,0,0,1,0|2,0,0]=3 1901 B7R1.1 ClCc1cnco1 1P007W6B [0,0,0,0,1,0|2,0,0]=3 1902 B7R1.1 ClCc1cncs1 1P009I1Z [0,0,0,0,1,0|2,0,0]=3 1903 B7R1.1 ClCc1cncs1 1P00DCWM [0,0,0,0,1,0|2,0,0]=3 1904 B7R1.1 ClCc1cnon1 1P01A0MR [0,0,0,0,1,0|2,0,0]=3 1905 B7R1.1 ClCc1cnsn1 1P01C4VS [0,0,0,0,1,0|2,0,0]=3 1906 B7R1.1 ClCc1cocn1 1P005ISW [0,0,0,0,1,0|2,0,0]=3 1907 B7R1.1 ClCc1cocn1 1P00FH8Z [0,0,0,0,1,0|2,0,0]=3 1908 B7R1.1 ClCc1cscc1 1P00C23C [0,0,0,0,1,0|2,0,0]=3 1909 B7R1.1 ClCc1cscn1 1P003KNK [0,0,0,0,1,0|2,0,0]=3 1910 B7R1.1 ClCc1csnc1 1P01DX9B [0,0,0,0,1,0|2,0,0]=3 1911 B7R1.1 ClCc1csnn1 1P01BBI0 [0,0,0,0,1,0|3,0,0]=4 1912 B7R1.1 ClCc1n[nH]cn1 1P01B76A [0,0,0,0,1,0|2,0,0]=3 1913 B7R1.1 ClCc1ncc[nH]1 1P00FDMX [0,0,0,0,1,0|1,0,1]=3 1914 B7R1.1 ClCc1ncco1 1P0038DX [0,0,0,0,1,0|2,0,0]=3 1915 B7R1.1 ClCc1ncco1 1P028B1R [0,0,0,0,1,0|2,0,0]=3 1916 B7R1.1 ClCc1nccs1 1P00FM3G [0,0,0,0,1,0|2,0,0]=3 1917 B7R1.1 ClCc1nccs1 1P00I738 [0,0,0,0,1,0|2,0,0]=3 1918 B7R1.1 ClCc1ncno1 1P019M1U [0,0,0,0,1,0|2,0,0]=3 1919 B7R1.1 ClCc1nnco1 1P00370N [0,0,0,0,1,0|3,0,0]=4 1920 B7R1.1 ClCc1nncs1 1P019ZE1 [0,0,0,0,1,0|3,0,0]=4 1921 B7R1.1 ClCc1nnn[nH]1 1P00384P [0,0,0,0,1,0|3,0,0]=4 1922 B7R1.1 ClCc1nocn1 1P00D9FD [0,0,0,0,1,0|2,0,0]=3 1923 B7R1.1 ClCc1nscn1 1P025GCZ [0,0,0,0,1,0|2,0,0]=3 1924 B7R1.1 ClCn1cccn1 1P00FET4 [0,0,0,0,1,0|2,0,0]=3 1925 B7R1.1 ClCn1nccn1 1P008NQ6 [0,0,0,0,1,0|2,0,0]=3 1926 B7R1.1 N#Cc1c[nH]cc1 1P006ADD [0,0,0,0,1,0|1,0,2]=4 1927 B7R1.1 N#Cc1c[nH]nc1 1P00338L [0,0,0,0,1,0|2,0,1]=4 1928 B7R1.1 N#Cc1ccco1 1P003BOZ [0,0,0,0,1,0|2,0,1]=4 1929 B7R1.1 N#Cc1cccs1 1P0001Y6 [0,0,0,0,1,0|2,0,1]=4 1930 B7R1.1 N#Cc1cocc1 1P003JYX [0,0,0,0,1,0|2,0,1]=4 1931 B7R1.1 N#Cc1conc1 1P00FALK [0,0,0,0,1,0|2,0,1]=4 1932 B7R1.1 N#Cc1cscc1 1P001V4K [0,0,0,0,1,0|2,0,1]=4 1933 B7R1.1 N#Cc1csnc1 1P00CLGC [0,0,0,0,1,0|2,0,1]=4 1934 B7R1.1 N#Cc1ncc[nH]1 1P001B42 [0,0,0,0,1,0|1,0,2]=4 1935 B7R1.1 N#Cc1ncc[nH]1 1P0038JH [0,0,0,0,1,0|1,0,2]=4 1936 B7R1.1 N#Cc1ncco1 1P0061S1 [0,0,0,0,1,0|2,0,1]=4 1937 B7R1.1 N#Cc1nccs1 1P0033WM [0,0,0,0,1,0|2,0,1]=4 1938 B7R1.1 N#Cc1nocn1 1P01BBK7 [0,0,0,0,1,0|2,0,1]=4 1939 B7R1.1 N#Cc1nscn1 1P028QUG [0,0,0,0,1,0|2,0,1]=4 1940 B7R1.1 N#Cn1cncc1 1P00BZ96 [0,0,0,0,1,0|2,0,1]=4 1941 B7R1.1 NCc1c[nH]cc1 1P008B5V [0,0,0,0,1,0|1,0,1]=3 1942 B7R1.1 NCc1c[nH]cn1 1P00FFS6 [0,0,0,0,1,0|1,0,1]=3 1943 B7R1.1 NCc1c[nH]nc1 1P000EI2 [0,0,0,0,1,0|2,0,0]=3 1944 B7R1.1 NCc1cc[nH]n1 1P00398P [0,0,0,0,1,0|2,0,0]=3 1945 B7R1.1 NCc1ccc[nH]1 1P0033BP [0,0,0,0,1,0|1,0,1]=3 1946 B7R1.1 NCc1ccc[nH]1 1P006SOC [0,0,0,0,1,0|1,0,1]=3 1947 B7R1.1 NCc1ccco1 1P00IBDE [0,0,0,0,1,0|2,0,0]=3 1948 B7R1.1 NCc1cccs1 1P002V4I [0,0,0,0,1,0|2,0,0]=3 1949 B7R1.1 NCc1ccn[nH]1 1P008UV1 [0,0,0,0,1,0|2,0,0]=3 1950 B7R1.1 NCc1ccno1 1P0037YF [0,0,0,0,1,0|2,0,0]=3 1951 B7R1.1 NCc1ccno1 1P007323 [0,0,0,0,1,0|2,0,0]=3 1952 B7R1.1 NCc1ccns1 1P01B6TZ [0,0,0,0,1,0|2,0,0]=3 1953 B7R1.1 NCc1ccns1 1P01B6V6 [0,0,0,0,1,0|2,0,0]=3 1954 B7R1.1 NCc1ccon1 1P00811U [0,0,0,0,1,0|2,0,0]=3 1955 B7R1.1 NCc1ccon1 1P009337 [0,0,0,0,1,0|2,0,0]=3 1956 B7R1.1 NCc1ccsn1 1P0076B9 [0,0,0,0,1,0|2,0,0]=3 1957 B7R1.1 NCc1cnco1 1P000PTG [0,0,0,0,1,0|2,0,0]=3 1958 B7R1.1 NCc1cncs1 1P001WDD [0,0,0,0,1,0|2,0,0]=3 1959 B7R1.1 NCc1cncs1 1P00811W [0,0,0,0,1,0|2,0,0]=3 1960 B7R1.1 NCc1cnn[nH]1 1P0003MG [0,0,0,0,1,0|2,0,1]=4 1961 B7R1.1 NCc1cnn[nH]1 1P007Q84 [0,0,0,0,1,0|2,0,1]=4 1962 B7R1.1 NCc1cnns1 1P028N1M [0,0,0,0,1,0|3,0,0]=4 1963 B7R1.1 NCc1cnns1 1P028QZG [0,0,0,0,1,0|3,0,0]=4 1964 B7R1.1 NCc1cnon1 1P01EIHR [0,0,0,0,1,0|2,0,0]=3 1965 B7R1.1 NCc1cnsn1 1P01BB8F [0,0,0,0,1,0|2,0,0]=3 1966 B7R1.1 NCc1cocc1 1P0038AA [0,0,0,0,1,0|2,0,0]=3 1967 B7R1.1 NCc1cocc1 1P009BQA [0,0,0,0,1,0|2,0,0]=3 1968 B7R1.1 NCc1cocn1 1P0039FL [0,0,0,0,1,0|2,0,0]=3 1969 B7R1.1 NCc1cocn1 1P00DG0B [0,0,0,0,1,0|2,0,0]=3 1970 B7R1.1 NCc1conc1 1P001ZPV [0,0,0,0,1,0|2,0,0]=3 1971 B7R1.1 NCc1cscc1 1P000GRT [0,0,0,0,1,0|2,0,0]=3 1972 B7R1.1 NCc1cscc1 1P002V4H [0,0,0,0,1,0|2,0,0]=3 1973 B7R1.1 NCc1cscn1 1P000E2I [0,0,0,0,1,0|2,0,0]=3 1974 B7R1.1 NCc1cscn1 1P001WF7 [0,0,0,0,1,0|2,0,0]=3 1975 B7R1.1 NCc1csnc1 1P01FJYB [0,0,0,0,1,0|2,0,0]=3 1976 B7R1.1 NCc1csnc1 1P01FJYC [0,0,0,0,1,0|2,0,0]=3 1977 B7R1.1 NCc1csnn1 1P00VVY0 [0,0,0,0,1,0|3,0,0]=4 1978 B7R1.1 NCc1nc[nH]c1 1P0038XO [0,0,0,0,1,0|1,0,1]=3 1979 B7R1.1 NCc1ncc[nH]1 1P001A1F [0,0,0,0,1,0|1,0,1]=3 1980 B7R1.1 NCc1ncc[nH]1 1P003A7Q [0,0,0,0,1,0|1,0,1]=3 1981 B7R1.1 NCc1ncco1 1P0038HB [0,0,0,0,1,0|2,0,0]=3 1982 B7R1.1 NCc1ncco1 1P028B4B [0,0,0,0,1,0|2,0,0]=3 1983 B7R1.1 NCc1nccs1 1P0033BR [0,0,0,0,1,0|2,0,0]=3 1984 B7R1.1 NCc1nccs1 1P0037J6 [0,0,0,0,1,0|2,0,0]=3 1985 B7R1.1 NCc1nccs1 1P00G4H4 [0,0,0,0,1,0|2,0,0]=3 1986 B7R1.1 NCc1ncn[nH]1 1P000PYO [0,0,0,0,1,0|2,0,0]=3 1987 B7R1.1 NCc1ncn[nH]1 1P00EAG9 [0,0,0,0,1,0|2,0,0]=3 1988 B7R1.1 NCc1ncn[nH]1 1P00H3I1 [0,0,0,0,1,0|2,0,0]=3 1989 B7R1.1 NCc1ncno1 1P01FJYD [0,0,0,0,1,0|2,0,0]=3 1990 B7R1.1 NCc1ncsc1 1P00J1AF [0,0,0,0,1,0|2,0,0]=3 1991 B7R1.1 NCc1nn[nH]c1 1P027PDD [0,0,0,0,1,0|2,0,1]=4 1992 B7R1.1 NCc1nnco1 1P001950 [0,0,0,0,1,0|3,0,0]=4 1993 B7R1.1 NCc1nnn[nH]1 1P003MNC [0,0,0,0,1,0|3,0,0]=4 1994 B7R1.1 NCc1nnn[nH]1 1P003NFG [0,0,0,0,1,0|3,0,0]=4 1995 B7R1.1 NCc1nocn1 1P00CJHT [0,0,0,0,1,0|2,0,0]=3 1996 B7R1.1 NCc1nscn1 1P028A0H [0,0,0,0,1,0|2,0,0]=3 1997 B7R1.1 NCc1ocnc1 1P009I2F [0,0,0,0,1,0|2,0,0]=3 1998 B7R1.1 NCc1scnc1 1P0015PG [0,0,0,0,1,0|2,0,0]=3 1999 B7R1.1 NCc1scnn1 1P01BSDS [0,0,0,0,1,0|3,0,0]=4 2000 B7R1.1 NNc1nccs1 1P007JQK [0,0,0,0,1,0|3,0,0]=4 2001 B7R1.1 NNc1ncns1 1P0287PI [0,0,0,0,1,0|3,0,0]=4 2002 B7R1.1 O=Cc1c[nH]cc1 1P00360O [0,0,0,0,1,0|1,0,2]=4 2003 B7R1.1 O=Cc1c[nH]nc1 1P000Q03 [0,0,0,0,1,0|2,0,1]=4 2004 B7R1.1 O=Cc1c[nH]nc1 1P0036BF [0,0,0,0,1,0|2,0,1]=4 2005 B7R1.1 O=Cc1cc[nH]n1 1P0037YS [0,0,0,0,1,0|2,0,1]=4 2006 B7R1.1 O=Cc1ccc[nH]1 1P0001Y8 [0,0,0,0,1,0|1,0,2]=4 2007 B7R1.1 O=Cc1ccc[se]1 1P002QYK [0,0,0,0,1,0|2,0,1]=4 2008 B7R1.1 O=Cc1ccco1 1P0033SN [0,0,0,0,1,0|2,0,1]=4 2009 B7R1.1 O=Cc1cccs1 1P0039RD [0,0,0,0,1,0|2,0,1]=4 2010 B7R1.1 O=Cc1ccn[nH]1 1P003EVE [0,0,0,0,1,0|2,0,1]=4 2011 B7R1.1 O=Cc1ccno1 1P00ABVW [0,0,0,0,1,0|2,0,1]=4 2012 B7R1.1 O=Cc1ccns1 1P00395A [0,0,0,0,1,0|2,0,1]=4 2013 B7R1.1 O=Cc1ccon1 1P0036Q6 [0,0,0,0,1,0|2,0,1]=4 2014 B7R1.1 O=Cc1ccsn1 1P01E7HF [0,0,0,0,1,0|2,0,1]=4 2015 B7R1.1 O=Cc1cnc[nH]1 1P00309Z [0,0,0,0,1,0|1,0,2]=4 2016 B7R1.1 O=Cc1cnco1 1P007RNX [0,0,0,0,1,0|2,0,1]=4 2017 B7R1.1 O=Cc1cncs1 1P0001Y5 [0,0,0,0,1,0|2,0,1]=4 2018 B7R1.1 O=Cc1cnon1 1P01C3RF [0,0,0,0,1,0|2,0,1]=4 2019 B7R1.1 O=Cc1cnsn1 1P005N99 [0,0,0,0,1,0|2,0,1]=4 2020 B7R1.1 O=Cc1cocc1 1P003JYV [0,0,0,0,1,0|2,0,1]=4 2021 B7R1.1 O=Cc1cocn1 1P0039FC [0,0,0,0,1,0|2,0,1]=4 2022 B7R1.1 O=Cc1conc1 1P00EAG3 [0,0,0,0,1,0|2,0,1]=4 2023 B7R1.1 O=Cc1cscc1 1P00348X [0,0,0,0,1,0|2,0,1]=4 2024 B7R1.1 O=Cc1cscn1 1P007D9X [0,0,0,0,1,0|2,0,1]=4 2025 B7R1.1 O=Cc1csnc1 1P005H6H [0,0,0,0,1,0|2,0,1]=4 2026 B7R1.1 O=Cc1ncc[nH]1 1P00047Y [0,0,0,0,1,0|1,0,2]=4 2027 B7R1.1 O=Cc1ncco1 1P0037C2 [0,0,0,0,1,0|2,0,1]=4 2028 B7R1.1 O=Cc1nccs1 1P0006QL [0,0,0,0,1,0|2,0,1]=4 2029 B7R1.1 O=Cc1ncn[nH]1 1P00CJAB [0,0,0,0,1,0|2,0,1]=4 2030 B7R1.1 O=Cc1nscn1 1P028B7G [0,0,0,0,1,0|2,0,1]=4 2031 B7R1.1 OC[C-]1C=CC=C1 1P000XDA [0,0,0,0,1,0|2,0,1]=4 2032 B7R1.1 OC[C-]1C=CC=C1 1P000ZBP [0,0,0,0,1,0|2,0,1]=4 2033 B7R1.1 OCc1c[nH]cc1 1P00FVQG [0,0,0,0,1,0|1,0,1]=3 2034 B7R1.1 OCc1c[nH]cn1 1P0038JP [0,0,0,0,1,0|1,0,1]=3 2035 B7R1.1 OCc1c[nH]cn1 1P0056GC [0,0,0,0,1,0|1,0,1]=3 2036 B7R1.1 OCc1c[nH]nc1 1P002RF9 [0,0,0,0,1,0|2,0,0]=3 2037 B7R1.1 OCc1c[nH]nn1 1P00564K [0,0,0,0,1,0|2,0,1]=4 2038 B7R1.1 OCc1c[nH]nn1 1P01BACC [0,0,0,0,1,0|2,0,1]=4 2039 B7R1.1 OCc1cc[nH]n1 1P002O87 [0,0,0,0,1,0|2,0,0]=3 2040 B7R1.1 OCc1ccco1 1P003R60 [0,0,0,0,1,0|2,0,0]=3 2041 B7R1.1 OCc1cccs1 1P003BQJ [0,0,0,0,1,0|2,0,0]=3 2042 B7R1.1 OCc1ccno1 1P006AUF [0,0,0,0,1,0|2,0,0]=3 2043 B7R1.1 OCc1ccns1 1P00ACUC [0,0,0,0,1,0|2,0,0]=3 2044 B7R1.1 OCc1ccon1 1P0036QI [0,0,0,0,1,0|2,0,0]=3 2045 B7R1.1 OCc1ccsn1 1P01V5TO [0,0,0,0,1,0|2,0,0]=3 2046 B7R1.1 OCc1cnco1 1P000X8T [0,0,0,0,1,0|2,0,0]=3 2047 B7R1.1 OCc1cncs1 1P0034R1 [0,0,0,0,1,0|2,0,0]=3 2048 B7R1.1 OCc1cnns1 1P008RO7 [0,0,0,0,1,0|3,0,0]=4 2049 B7R1.1 OCc1cnon1 1P019T2P [0,0,0,0,1,0|2,0,0]=3 2050 B7R1.1 OCc1cnsn1 1P01BCP3 [0,0,0,0,1,0|2,0,0]=3 2051 B7R1.1 OCc1cocc1 1P0072QO [0,0,0,0,1,0|2,0,0]=3 2052 B7R1.1 OCc1cocn1 1P001ON1 [0,0,0,0,1,0|2,0,0]=3 2053 B7R1.1 OCc1conc1 1P0038JR [0,0,0,0,1,0|2,0,0]=3 2054 B7R1.1 OCc1cscc1 1P003KDJ [0,0,0,0,1,0|2,0,0]=3 2055 B7R1.1 OCc1cscn1 1P003AEU [0,0,0,0,1,0|2,0,0]=3 2056 B7R1.1 OCc1csnc1 1P00BAEG [0,0,0,0,1,0|2,0,0]=3 2057 B7R1.1 OCc1csnn1 1P00DDO2 [0,0,0,0,1,0|3,0,0]=4 2058 B7R1.1 OCc1n[nH]nn1 1P00G948 [0,0,0,0,1,0|3,0,0]=4 2059 B7R1.1 OCc1ncc[nH]1 1P000CAH [0,0,0,0,1,0|1,0,1]=3 2060 B7R1.1 OCc1ncc[nH]1 1P00BYAS [0,0,0,0,1,0|1,0,1]=3 2061 B7R1.1 OCc1ncco1 1P000V32 [0,0,0,0,1,0|2,0,0]=3 2062 B7R1.1 OCc1nccs1 1P001DHQ [0,0,0,0,1,0|2,0,0]=3 2063 B7R1.1 OCc1ncn[nH]1 1P000KXU [0,0,0,0,1,0|2,0,0]=3 2064 B7R1.1 OCc1ncn[nH]1 1P000POT [0,0,0,0,1,0|2,0,0]=3 2065 B7R1.1 OCc1ncno1 1P01DTPJ [0,0,0,0,1,0|2,0,0]=3 2066 B7R1.1 OCc1nncs1 1P00E8XG [0,0,0,0,1,0|3,0,0]=4 2067 B7R1.1 OCc1nocn1 1P0093FC [0,0,0,0,1,0|2,0,0]=3 2068 B7R1.1 OCn1cccn1 1P007CY4 [0,0,0,0,1,0|2,0,0]=3 2069 B7R1.1 OCn1cncn1 1P008R9D [0,0,0,0,1,0|2,0,0]=3 2070 B7R1.1 SCc1ccc[nH]1 1P01DX9D [0,0,0,0,1,0|1,0,1]=3 2071 B7R1.1 SCc1ccco1 1P003R61 [0,0,0,0,1,0|2,0,0]=3 2072 B7R1.1 SCc1cccs1 1P003IEO [0,0,0,0,1,0|2,0,0]=3 2073 B7R1.1 SCc1ccno1 1P020M66 [0,0,0,0,1,0|2,0,0]=3 2074 B7R1.1 SCc1ccon1 1P020M64 [0,0,0,0,1,0|2,0,0]=3 2075 B7R1.1 SCc1cncs1 1P028027 [0,0,0,0,1,0|2,0,0]=3 2076 B7R1.1 SCc1cocc1 1P01Q6AT [0,0,0,0,1,0|2,0,0]=3 2077 B7R1.1 SCc1cocn1 1P028V8N [0,0,0,0,1,0|2,0,0]=3 2078 B7R1.1 SCc1conc1 1P028BD5 [0,0,0,0,1,0|2,0,0]=3 2079 B7R1.1 SCc1cscc1 1P001V2D [0,0,0,0,1,0|2,0,0]=3 2080 B7R1.1 SCc1cscn1 1P007YQ1 [0,0,0,0,1,0|2,0,0]=3 2081 B7R1.1 SCc1nccs1 1P020M67 [0,0,0,0,1,0|2,0,0]=3 2082 B7R1.1 c1c(nc[nH]1)C#N 1P003823 [0,0,0,0,1,0|1,0,2]=4 2083 B7R1.1 c1c[nH]nc1C#N 1P0037RS [0,0,0,0,1,0|2,0,1]=4 2084 B7R1.1 c1cnoc1C#N 1P00FFST [0,0,0,0,1,0|2,0,1]=4 2085 B7R1.1 c1conc1C#N 1P0061S2 [0,0,0,0,1,0|2,0,1]=4 2086 B7R1.1 c1csnc1C#N 1P006VD3 [0,0,0,0,1,0|2,0,1]=4 2087 B7R1.1 c1nc([nH]n1)C#N 1P00345E [0,0,0,0,1,0|2,0,1]=4 2088 B7R1.1 c1ncoc1C#N 1P00FEG2 [0,0,0,0,1,0|2,0,1]=4 2089 B7R1.1 c1ncsc1C#N 1P007MOG [0,0,0,0,1,0|2,0,1]=4 2090 B7R1.1 c1ocnc1C#N 1P003MEO [0,0,0,0,1,0|2,0,1]=4 2091 B7R1.1 c1scnc1C#N 1P007KK2 [0,0,0,0,1,0|2,0,1]=4 2092 B6R0.6 CC=CC=CCO 1P003VBC [1,0,1,0,0,0|2,0,0]=4 2093 B6R0.6 CCCC=CC=O 1P003VD0 [1,0,1,0,0,0|1,0,1]=4 2094 B6R0.6 CC\C=C/CC=O 1P003PF5 [1,0,1,0,0,0|1,0,1]=4 2095 B6R0.6 C\C=C\C=C\CN 1P01DWZV [1,0,1,0,0,0|2,0,0]=4 2096 B6R0.6 C\C=C\C=C\CO 1P003CHO [1,0,1,0,0,0|2,0,0]=4 2097 B6R0.6 [O-]C\C=C\C=C\C 1P006TR9 [1,0,1,0,0,0|2,0,0]=4 2098 B6R0.1 CC=CC(=O)CC 1P002QI6 [1,0,1,0,0,0|1,0,1]=4 2099 B6R0.1 CCC(=O)\C=C\Cl 1P00ELWV [1,0,1,0,0,0|2,0,0]=4 2100 B6R0.1 C\C=C\C(=O)CC 1P00DT54 [1,0,1,0,0,0|1,0,1]=4 2101 B6R0.1 ON=CC(=NO)C 1P0022FT [1,0,1,0,0,0|2,0,0]=4 2102 B6R0.9 CCC(=CC)C=O 1P002BHU [1,0,1,0,0,0|1,0,1]=4 2103 B6R1.1 C1=CCC=CC1 1P003E40 [2,0,0,0,0,0|2,0,0]=4 2104 B6R1.1 [13cH]1[13cH][13cH][13cH][13cH][13cH]1 1P00C19H [2,0,0,0,0,0|2,0,0]=4 2105 B6R1.1 c1[c-]cccc1 1P003VM5 [2,0,0,0,0,0|2,0,0]=4 2106 B6R1.1 c1[c-]cccc1 1P01EBEV [2,0,0,0,0,0|2,0,0]=4 2107 B6R1.1 c1[c]cccc1 1P003OQP [2,0,0,0,0,0|2,0,0]=4 2108 B6R1.1 c1[c]cccc1 1P00C85G [2,0,0,0,0,0|2,0,0]=4 2109 B6R1.1 c1ccc[nH+]c1 1P01FFZ4 [2,0,0,0,0,0|1,0,1]=4 2110 B6R1.1 c1ccc[o+]c1 1P01X6D0 [2,0,0,0,0,0|2,0,0]=4 2111 B6R1.1 c1ccccc1 1P000X4T [2,0,0,0,0,0|2,0,0]=4 2112 B6R1.1 c1ccccc1 1P00I7TI [2,0,0,0,0,0|2,0,0]=4 2113 B6R1.1 c1cccnc1 1P001LMB [2,0,0,0,0,0|1,0,0]=3 2114 B6R1.1 c1cccnc1 1P001LVP [2,0,0,0,0,0|1,0,0]=3 2115 B6R1.1 c1cccnc1 1P001P9C [2,0,0,0,0,0|1,0,0]=3 2116 B6R1.1 c1cccnc1 1P002H86 [2,0,0,0,0,0|1,0,0]=3 2117 B6R1.1 c1cccnc1 1P002T3E [2,0,0,0,0,0|1,0,0]=3 2118 B6R1.1 c1cccnc1 1P002TJT [2,0,0,0,0,0|1,0,0]=3 2119 B6R1.1 c1cccnc1 1P00360F [2,0,0,0,0,0|1,0,0]=3 2120 B6R1.1 c1cccnc1 1P00360J [2,0,0,0,0,0|1,0,0]=3 2121 B6R1.1 c1cccnc1 1P003UJB [2,0,0,0,0,0|1,0,0]=3 2122 B6R1.1 c1cccnc1 1P00ACBP [2,0,0,0,0,0|1,0,0]=3 2123 B6R1.1 c1cccnc1 1P00ADJU [2,0,0,0,0,0|1,0,0]=3 2124 B6R1.1 c1cccnc1 1P00DE7T [2,0,0,0,0,0|1,0,0]=3 2125 B6R1.1 c1cccnc1 1P00E9FY [2,0,0,0,0,0|1,0,0]=3 2126 B6R1.1 c1cccnc1 1P01QOUU [2,0,0,0,0,0|1,0,0]=3 2127 B6R1.1 c1ccncn1 1P003UJJ [2,0,0,0,0,0|2,0,0]=4 2128 B6R1.1 c1ccnnc1 1P00360E [2,0,0,0,0,0|2,0,0]=4 2129 B6R1.1 c1ccnnc1 1P00E9DW [2,0,0,0,0,0|2,0,0]=4 2130 B6R1.1 n1ccncc1 1P002VMV [2,0,0,0,0,0|0,0,0]=2 2131 B6R1.1 n1ncnnc1 1P002VMG [2,0,0,0,0,0|2,0,0]=4 2132 B8R0.4 CCC\C=C\C=C\C=O 1P0030BR [0,1,1,0,0,0|2,0,0]=4 2133 B8R0.6 CC\C=C/CC(=O)C=C 1P00FGQF [0,1,1,0,0,0|2,0,0]=4 2134 B8R0.7 CC\C=C\C=C\C(=O)O 1P028PCP [0,1,1,0,0,0|2,0,0]=4 2135 B8R1.3 Brc1ccc(cn1)Br 1P0033GS [1,1,0,0,0,0|2,0,0]=4 2136 B8R1.3 Brc1ccc(cn1)C 1P0033MK [1,1,0,0,0,0|1,0,0]=3 2137 B8R1.3 Brc1ccc(cn1)Cl 1P003H65 [1,1,0,0,0,0|2,0,0]=4 2138 B8R1.3 Brc1ccc(cn1)F 1P0033MD [1,1,0,0,0,0|2,0,0]=4 2139 B8R1.3 Brc1ccc(cn1)I 1P003H6M [1,1,0,0,0,0|2,0,0]=4 2140 B8R1.3 Brc1ccc(cn1)N 1P0034ND [1,1,0,0,0,0|2,0,0]=4 2141 B8R1.3 Brc1ccc(cn1)O 1P0037PB [1,1,0,0,0,0|2,0,0]=4 2142 B8R1.3 Brc1cnc(nc1)C 1P0034OG [1,1,0,0,0,0|2,0,0]=4 2143 B8R1.3 Brc1ncc(nc1)Br 1P002N26 [1,1,0,0,0,0|1,0,0]=3 2144 B8R1.3 Brc1ncc(nc1)I 1P00E9D6 [1,1,0,0,0,0|1,0,0]=3 2145 B8R1.3 Cc1c[nH]c(=O)cn1 1P002JDA [1,1,0,0,0,0|0,0,1]=3 2146 B8R1.3 Cc1ccc(=O)[nH]c1 1P0001YV [1,1,0,0,0,0|1,0,1]=4 2147 B8R1.3 Cc1ccc(=O)[nH]n1 1P0014ZS [1,1,0,0,0,0|2,0,0]=4 2148 B8R1.3 Cc1ccc(=O)[nH]n1 1P003NRL [1,1,0,0,0,0|2,0,0]=4 2149 B8R1.3 Cc1ccc(=O)[nH]n1 1P0068H5 [1,1,0,0,0,0|2,0,0]=4 2150 B8R1.3 Cc1ccc(cc1)Br 1P0038GM [1,1,0,0,0,0|2,0,0]=4 2151 B8R1.3 Cc1ccc(cc1)C 1P003608 [1,1,0,0,0,0|2,0,0]=4 2152 B8R1.3 Cc1ccc(cc1)Cl 1P003LPB [1,1,0,0,0,0|2,0,0]=4 2153 B8R1.3 Cc1ccc(cc1)F 1P003U4A [1,1,0,0,0,0|2,0,0]=4 2154 B8R1.3 Cc1ccc(cc1)I 1P0034JN [1,1,0,0,0,0|2,0,0]=4 2155 B8R1.3 Cc1ccc(cc1)I 1P007BGQ [1,1,0,0,0,0|2,0,0]=4 2156 B8R1.3 Cc1ccc(cc1)N 1P003605 [1,1,0,0,0,0|2,0,0]=4 2157 B8R1.3 Cc1ccc(cc1)N 1P003UHX [1,1,0,0,0,0|2,0,0]=4 2158 B8R1.3 Cc1ccc(cc1)O 1P003U0X [1,1,0,0,0,0|2,0,0]=4 2159 B8R1.3 Cc1ccc(cc1)S 1P003604 [1,1,0,0,0,0|2,0,0]=4 2160 B8R1.3 Cc1ccc(cc1)[Mg+] 1P003UI4 [1,1,0,0,0,0|2,0,0]=4 2161 B8R1.3 Cc1ccc(cn1)Br 1P0034OK [1,1,0,0,0,0|1,0,0]=3 2162 B8R1.3 Cc1ccc(cn1)C 1P0033HD [1,1,0,0,0,0|1,0,0]=3 2163 B8R1.3 Cc1ccc(cn1)Cl 1P003707 [1,1,0,0,0,0|1,0,0]=3 2164 B8R1.3 Cc1ccc(cn1)F 1P0038JB [1,1,0,0,0,0|1,0,0]=3 2165 B8R1.3 Cc1ccc(cn1)I 1P005Y11 [1,1,0,0,0,0|1,0,0]=3 2166 B8R1.3 Cc1ccc(cn1)N 1P003MU7 [1,1,0,0,0,0|1,0,0]=3 2167 B8R1.3 Cc1ccc(cn1)O 1P003K0R [1,1,0,0,0,0|1,0,0]=3 2168 B8R1.3 Cc1ccc(cn1)[S-] 1P01FLFN [1,1,0,0,0,0|1,0,0]=3 2169 B8R1.3 Cc1ccc(nn1)Br 1P00343A [1,1,0,0,0,0|2,0,0]=4 2170 B8R1.3 Cc1ccc(nn1)C 1P001UBL [1,1,0,0,0,0|2,0,0]=4 2171 B8R1.3 Cc1ccc(nn1)Cl 1P003JQR [1,1,0,0,0,0|2,0,0]=4 2172 B8R1.3 Cc1ccc(nn1)F 1P01BY1P [1,1,0,0,0,0|2,0,0]=4 2173 B8R1.3 Cc1ccc(nn1)I 1P001WDP [1,1,0,0,0,0|2,0,0]=4 2174 B8R1.3 Cc1ccc(nn1)N 1P003420 [1,1,0,0,0,0|2,0,0]=4 2175 B8R1.3 Cc1ccc(nn1)S 1P00EGKW [1,1,0,0,0,0|2,0,0]=4 2176 B8R1.3 Cc1cnc(=S)[nH]c1 1P019VBZ [1,1,0,0,0,0|2,0,0]=4 2177 B8R1.3 Cc1cnc(nc1)Br 1P001MP5 [1,1,0,0,0,0|2,0,0]=4 2178 B8R1.3 Cc1cnc(nc1)Cl 1P003HFX [1,1,0,0,0,0|2,0,0]=4 2179 B8R1.3 Cc1cnc(nc1)F 1P00EIC2 [1,1,0,0,0,0|2,0,0]=4 2180 B8R1.3 Cc1cnc(nc1)I 1P00AR5N [1,1,0,0,0,0|2,0,0]=4 2181 B8R1.3 Cc1cnc(nc1)N 1P00DC10 [1,1,0,0,0,0|2,0,0]=4 2182 B8R1.3 Cc1cnc(nc1)O 1P00C7DH [1,1,0,0,0,0|2,0,0]=4 2183 B8R1.3 Cc1cnc(nc1)O 1P00J31R [1,1,0,0,0,0|2,0,0]=4 2184 B8R1.3 Cc1cnc(nc1)S 1P00C7RF [1,1,0,0,0,0|2,0,0]=4 2185 B8R1.3 Cc1ncc(nc1)Br 1P0038ZG [1,1,0,0,0,0|0,0,0]=2 2186 B8R1.3 Cc1ncc(nc1)C 1P000KCZ [1,1,0,0,0,0|0,0,0]=2 2187 B8R1.3 Cc1ncc(nc1)Cl 1P0037HG [1,1,0,0,0,0|0,0,0]=2 2188 B8R1.3 Cc1ncc(nc1)I 1P00GZ59 [1,1,0,0,0,0|0,0,0]=2 2189 B8R1.3 Cc1ncc(nc1)N 1P003ND3 [1,1,0,0,0,0|0,0,0]=2 2190 B8R1.3 Cc1nnc(nn1)C 1P00B0KS [1,1,0,0,0,0|2,0,0]=4 2191 B8R1.3 ClC1=CN=C(Cl)N=N1 1P01K9ME [1,1,0,0,0,0|2,0,0]=4 2192 B8R1.3 Clc1c[nH]c(=O)cn1 1P003773 [1,1,0,0,0,0|1,0,1]=4 2193 B8R1.3 Clc1ccc(cn1)Br 1P0034O8 [1,1,0,0,0,0|2,0,0]=4 2194 B8R1.3 Clc1ccc(cn1)C 1P0039DK [1,1,0,0,0,0|1,0,0]=3 2195 B8R1.3 Clc1ccc(cn1)Cl 1P001SM7 [1,1,0,0,0,0|2,0,0]=4 2196 B8R1.3 Clc1ccc(cn1)F 1P003HFF [1,1,0,0,0,0|2,0,0]=4 2197 B8R1.3 Clc1ccc(cn1)I 1P003HFQ [1,1,0,0,0,0|2,0,0]=4 2198 B8R1.3 Clc1ccc(cn1)N 1P0037RK [1,1,0,0,0,0|2,0,0]=4 2199 B8R1.3 Clc1ccc(cn1)O 1P0033P0 [1,1,0,0,0,0|2,0,0]=4 2200 B8R1.3 Clc1cnc(nc1)C 1P00DGG9 [1,1,0,0,0,0|2,0,0]=4 2201 B8R1.3 Clc1ncc(nc1)Br 1P0037BF [1,1,0,0,0,0|1,0,0]=3 2202 B8R1.3 Clc1ncc(nc1)Cl 1P002BAR [1,1,0,0,0,0|1,0,0]=3 2203 B8R1.3 Clc1ncc(nc1)I 1P007XHW [1,1,0,0,0,0|1,0,0]=3 2204 B8R1.3 Fc1ccc(cn1)Br 1P003HQQ [1,1,0,0,0,0|2,0,0]=4 2205 B8R1.3 Fc1ccc(cn1)C 1P002OMU [1,1,0,0,0,0|1,0,0]=3 2206 B8R1.3 Fc1ccc(cn1)Cl 1P0034PI [1,1,0,0,0,0|2,0,0]=4 2207 B8R1.3 Fc1ccc(cn1)F 1P003GF6 [1,1,0,0,0,0|2,0,0]=4 2208 B8R1.3 Fc1ccc(cn1)I 1P00APXU [1,1,0,0,0,0|2,0,0]=4 2209 B8R1.3 Fc1ccc(cn1)N 1P0024K6 [1,1,0,0,0,0|2,0,0]=4 2210 B8R1.3 Fc1ccc(cn1)O 1P0033RZ [1,1,0,0,0,0|2,0,0]=4 2211 B8R1.3 Fc1cnc(nc1)C 1P00DICK [1,1,0,0,0,0|2,0,0]=4 2212 B8R1.3 Fc1ncc(nc1)Br 1P0039TL [1,1,0,0,0,0|1,0,0]=3 2213 B8R1.3 Fc1ncc(nc1)Cl 1P01JWK5 [1,1,0,0,0,0|1,0,0]=3 2214 B8R1.3 Fc1ncc(nc1)F 1P01BA7S [1,1,0,0,0,0|1,0,0]=3 2215 B8R1.3 Ic1ccc(cn1)Br 1P003806 [1,1,0,0,0,0|2,0,0]=4 2216 B8R1.3 Ic1ccc(cn1)C 1P00BFPI [1,1,0,0,0,0|1,0,0]=3 2217 B8R1.3 Ic1ccc(cn1)Cl 1P00BD18 [1,1,0,0,0,0|2,0,0]=4 2218 B8R1.3 Ic1ccc(cn1)F 1P001RXK [1,1,0,0,0,0|2,0,0]=4 2219 B8R1.3 Ic1ccc(cn1)I 1P000CBM [1,1,0,0,0,0|2,0,0]=4 2220 B8R1.3 Ic1ccc(cn1)N 1P003MTZ [1,1,0,0,0,0|2,0,0]=4 2221 B8R1.3 Ic1ccc(cn1)O 1P000Z9C [1,1,0,0,0,0|2,0,0]=4 2222 B8R1.3 Ic1cnc(nc1)C 1P020M10 [1,1,0,0,0,0|2,0,0]=4 2223 B8R1.3 Nc1ccc(cn1)Br 1P0033K9 [1,1,0,0,0,0|2,0,0]=4 2224 B8R1.3 Nc1ccc(cn1)C 1P003GY3 [1,1,0,0,0,0|1,0,0]=3 2225 B8R1.3 Nc1ccc(cn1)Cl 1P0033KG [1,1,0,0,0,0|2,0,0]=4 2226 B8R1.3 Nc1ccc(cn1)I 1P002ACG [1,1,0,0,0,0|2,0,0]=4 2227 B8R1.3 Nc1ccc(cn1)N 1P003UJ0 [1,1,0,0,0,0|2,0,0]=4 2228 B8R1.3 Nc1ccc(cn1)N 1P00BC5O [1,1,0,0,0,0|2,0,0]=4 2229 B8R1.3 Nc1ccc(cn1)O 1P0034SD [1,1,0,0,0,0|2,0,0]=4 2230 B8R1.3 Nc1ccc(cn1)O 1P0036WS [1,1,0,0,0,0|2,0,0]=4 2231 B8R1.3 Nc1ccc(cn1)O 1P01KZDN [1,1,0,0,0,0|2,0,0]=4 2232 B8R1.3 Nc1cnc(nc1)C 1P003MU8 [1,1,0,0,0,0|2,0,0]=4 2233 B8R1.3 Nc1ncc(nc1)Br 1P003GXE [1,1,0,0,0,0|1,0,0]=3 2234 B8R1.3 Nc1ncc(nc1)Cl 1P0033KF [1,1,0,0,0,0|1,0,0]=3 2235 B8R1.3 Nc1ncc(nc1)F 1P0281L5 [1,1,0,0,0,0|1,0,0]=3 2236 B8R1.3 Nc1ncc(nc1)I 1P0036QW [1,1,0,0,0,0|1,0,0]=3 2237 B8R1.3 Nc1ncc(nc1)N 1P001REY [1,1,0,0,0,0|1,0,0]=3 2238 B8R1.3 Nc1ncc(nc1)N 1P005I0L [1,1,0,0,0,0|1,0,0]=3 2239 B8R1.3 Nc1ncc(nn1)Br 1P003JDI [1,1,0,0,0,0|2,0,0]=4 2240 B8R1.3 Nc1ncc(nn1)C 1P002IF4 [1,1,0,0,0,0|1,0,0]=3 2241 B8R1.3 Oc1ccc(cn1)Br 1P0033T3 [1,1,0,0,0,0|2,0,0]=4 2242 B8R1.3 Oc1ccc(cn1)C 1P0068BS [1,1,0,0,0,0|1,0,0]=3 2243 B8R1.3 Oc1ccc(cn1)F 1P00I9MG [1,1,0,0,0,0|2,0,0]=4 2244 B8R1.3 Oc1ccc(cn1)I 1P01FVCZ [1,1,0,0,0,0|2,0,0]=4 2245 B8R1.3 Oc1ccc(cn1)N 1P0077NO [1,1,0,0,0,0|2,0,0]=4 2246 B8R1.3 Oc1ccc(cn1)N 1P00I734 [1,1,0,0,0,0|2,0,0]=4 2247 B8R1.3 Oc1cnc(nc1)C 1P003N92 [1,1,0,0,0,0|2,0,0]=4 2248 B8R1.3 Oc1ncc(nc1)Br 1P003H6I [1,1,0,0,0,0|1,0,0]=3 2249 B8R1.3 Oc1ncc(nc1)I 1P01B93S [1,1,0,0,0,0|1,0,0]=3 2250 B8R1.3 Sc1ccc(cn1)Br 1P00EGLR [1,1,0,0,0,0|2,0,0]=4 2251 B8R1.3 Sc1ccc(cn1)C 1P007TI4 [1,1,0,0,0,0|1,0,0]=3 2252 B8R1.3 Sc1ccc(cn1)F 1P01X1P9 [1,1,0,0,0,0|2,0,0]=4 2253 B8R1.3 [S-]c1ccc(cc1)C 1P003M7Y [1,1,0,0,0,0|2,0,0]=4 2254 B8R1.4 Brc1cccc(n1)Br 1P0033HP [1,1,0,0,0,0|2,0,0]=4 2255 B8R1.4 Brc1cccc(n1)I 1P002NMA [1,1,0,0,0,0|2,0,0]=4 2256 B8R1.4 Brc1ccnc(c1)Br 1P00IAV6 [1,1,0,0,0,0|2,0,0]=4 2257 B8R1.4 Brc1ccnc(c1)C 1P003LDY [1,1,0,0,0,0|1,0,0]=3 2258 B8R1.4 Brc1ccnc(c1)C 1P00J1W2 [1,1,0,0,0,0|1,0,0]=3 2259 B8R1.4 Brc1ccnc(c1)Cl 1P0034DY [1,1,0,0,0,0|2,0,0]=4 2260 B8R1.4 Brc1ccnc(c1)F 1P000Y6T [1,1,0,0,0,0|2,0,0]=4 2261 B8R1.4 Brc1ccnc(c1)I 1P0002PZ [1,1,0,0,0,0|2,0,0]=4 2262 B8R1.4 Brc1ccnc(c1)N 1P0033JW [1,1,0,0,0,0|2,0,0]=4 2263 B8R1.4 Brc1ccnc(c1)O 1P0034E6 [1,1,0,0,0,0|2,0,0]=4 2264 B8R1.4 Brc1ccnc(n1)C 1P007TD4 [1,1,0,0,0,0|2,0,0]=4 2265 B8R1.4 Brc1cncc(c1)Br 1P0033ZU [1,1,0,0,0,0|2,0,0]=4 2266 B8R1.4 Brc1cncc(c1)I 1P002NGQ [1,1,0,0,0,0|2,0,0]=4 2267 B8R1.4 Brc1cncc(n1)Br 1P002N27 [1,1,0,0,0,0|1,0,0]=3 2268 B8R1.4 Brc1cnnc(c1)C 1P028F5O [1,1,0,0,0,0|2,0,0]=4 2269 B8R1.4 CC1=CN=NC(=O)C1 1P0096LQ [1,1,0,0,0,0|2,0,0]=4 2270 B8R1.4 C[n+]1ccnc(c1)Cl 1P01EW2I [1,1,0,0,0,0|1,0,1]=4 2271 B8R1.4 Cc1cc(=O)[nH]nc1 1P003NC4 [1,1,0,0,0,0|2,0,0]=4 2272 B8R1.4 Cc1cc[nH]c(=S)n1 1P003HYQ [1,1,0,0,0,0|2,0,0]=4 2273 B8R1.4 Cc1cccc(=O)[nH]1 1P00I6PQ [1,1,0,0,0,0|1,0,1]=4 2274 B8R1.4 Cc1cccc(=O)[nH]1 1P01A5YK [1,1,0,0,0,0|1,0,1]=4 2275 B8R1.4 Cc1cccc(c1)Br 1P003JM4 [1,1,0,0,0,0|2,0,0]=4 2276 B8R1.4 Cc1cccc(c1)C 1P0035QQ [1,1,0,0,0,0|2,0,0]=4 2277 B8R1.4 Cc1cccc(c1)Cl 1P00345C [1,1,0,0,0,0|2,0,0]=4 2278 B8R1.4 Cc1cccc(c1)F 1P00I7FR [1,1,0,0,0,0|2,0,0]=4 2279 B8R1.4 Cc1cccc(c1)I 1P003K2K [1,1,0,0,0,0|2,0,0]=4 2280 B8R1.4 Cc1cccc(c1)N 1P00348Z [1,1,0,0,0,0|2,0,0]=4 2281 B8R1.4 Cc1cccc(c1)N 1P003SN3 [1,1,0,0,0,0|2,0,0]=4 2282 B8R1.4 Cc1cccc(c1)O 1P003RX9 [1,1,0,0,0,0|2,0,0]=4 2283 B8R1.4 Cc1cccc(c1)S 1P003K79 [1,1,0,0,0,0|2,0,0]=4 2284 B8R1.4 Cc1cccc(n1)Br 1P003H7Q [1,1,0,0,0,0|1,0,0]=3 2285 B8R1.4 Cc1cccc(n1)C 1P0033IS [1,1,0,0,0,0|1,0,0]=3 2286 B8R1.4 Cc1cccc(n1)Cl 1P003HHO [1,1,0,0,0,0|1,0,0]=3 2287 B8R1.4 Cc1cccc(n1)F 1P003HRV [1,1,0,0,0,0|1,0,0]=3 2288 B8R1.4 Cc1cccc(n1)I 1P00EAYX [1,1,0,0,0,0|1,0,0]=3 2289 B8R1.4 Cc1cccc(n1)N 1P0024B7 [1,1,0,0,0,0|1,0,0]=3 2290 B8R1.4 Cc1cccc(n1)S 1P003HYW [1,1,0,0,0,0|1,0,0]=3 2291 B8R1.4 Cc1ccnc(c1)Br 1P003H5D [1,1,0,0,0,0|2,0,0]=4 2292 B8R1.4 Cc1ccnc(c1)C 1P0039FY [1,1,0,0,0,0|1,0,0]=3 2293 B8R1.4 Cc1ccnc(c1)Cl 1P003HEL [1,1,0,0,0,0|2,0,0]=4 2294 B8R1.4 Cc1ccnc(c1)F 1P003HQB [1,1,0,0,0,0|2,0,0]=4 2295 B8R1.4 Cc1ccnc(c1)I 1P00BG0M [1,1,0,0,0,0|2,0,0]=4 2296 B8R1.4 Cc1ccnc(c1)N 1P003GW8 [1,1,0,0,0,0|2,0,0]=4 2297 B8R1.4 Cc1ccnc(c1)O 1P003HVA [1,1,0,0,0,0|2,0,0]=4 2298 B8R1.4 Cc1ccnc(c1)S 1P0076M3 [1,1,0,0,0,0|2,0,0]=4 2299 B8R1.4 Cc1ccnc(n1)Br 1P000V75 [1,1,0,0,0,0|2,0,0]=4 2300 B8R1.4 Cc1ccnc(n1)C 1P009I3B [1,1,0,0,0,0|2,0,0]=4 2301 B8R1.4 Cc1ccnc(n1)Cl 1P000URR [1,1,0,0,0,0|2,0,0]=4 2302 B8R1.4 Cc1ccnc(n1)I 1P000P6W [1,1,0,0,0,0|2,0,0]=4 2303 B8R1.4 Cc1ccnc(n1)N 1P003GW9 [1,1,0,0,0,0|2,0,0]=4 2304 B8R1.4 Cc1ccnc(n1)O 1P006UK2 [1,1,0,0,0,0|2,0,0]=4 2305 B8R1.4 Cc1ccnc(n1)S 1P00CI6Y [1,1,0,0,0,0|2,0,0]=4 2306 B8R1.4 Cc1cncc(=O)[nH]1 1P002JD9 [1,1,0,0,0,0|0,0,1]=3 2307 B8R1.4 Cc1cncc(c1)Br 1P00I78L [1,1,0,0,0,0|1,0,0]=3 2308 B8R1.4 Cc1cncc(c1)C 1P00IAZ1 [1,1,0,0,0,0|1,0,0]=3 2309 B8R1.4 Cc1cncc(c1)Cl 1P002GA6 [1,1,0,0,0,0|1,0,0]=3 2310 B8R1.4 Cc1cncc(c1)F 1P003JXJ [1,1,0,0,0,0|1,0,0]=3 2311 B8R1.4 Cc1cncc(c1)I 1P00AKYW [1,1,0,0,0,0|1,0,0]=3 2312 B8R1.4 Cc1cncc(c1)N 1P00BYXN [1,1,0,0,0,0|1,0,0]=3 2313 B8R1.4 Cc1cncc(c1)N 1P00H8HS [1,1,0,0,0,0|1,0,0]=3 2314 B8R1.4 Cc1cncc(c1)O 1P00346N [1,1,0,0,0,0|1,0,0]=3 2315 B8R1.4 Cc1cncc(n1)Br 1P00GSY8 [1,1,0,0,0,0|0,0,0]=2 2316 B8R1.4 Cc1cncc(n1)C 1P003GMF [1,1,0,0,0,0|0,0,0]=2 2317 B8R1.4 Cc1cncc(n1)Cl 1P003HHN [1,1,0,0,0,0|0,0,0]=2 2318 B8R1.4 Cc1cncc(n1)F 1P0286PL [1,1,0,0,0,0|0,0,0]=2 2319 B8R1.4 Cc1cncc(n1)N 1P003GZE [1,1,0,0,0,0|0,0,0]=2 2320 B8R1.4 Cc1cnnc(c1)Cl 1P00414T [1,1,0,0,0,0|2,0,0]=4 2321 B8R1.4 Cc1cnnc(c1)I 1P01DZB7 [1,1,0,0,0,0|2,0,0]=4 2322 B8R1.4 Cc1cnnc(c1)N 1P001JQC [1,1,0,0,0,0|2,0,0]=4 2323 B8R1.4 Cc1cnnc(n1)N 1P00F45K [1,1,0,0,0,0|1,0,0]=3 2324 B8R1.4 Cc1nc[nH]c(=O)c1 1P00BXVE [1,1,0,0,0,0|2,0,0]=4 2325 B8R1.4 Cc1nc[nH]c(=O)c1 1P027YSW [1,1,0,0,0,0|2,0,0]=4 2326 B8R1.4 Cc1nc[nH]c(=S)c1 1P00DYAU [1,1,0,0,0,0|2,0,0]=4 2327 B8R1.4 Cc1nccc(=N)[nH]1 1P00GATC [1,1,0,0,0,0|2,0,0]=4 2328 B8R1.4 Cc1nccc(=O)[nH]1 1P002C6Y [1,1,0,0,0,0|2,0,0]=4 2329 B8R1.4 Cc1ncnc(c1)Br 1P00375E [1,1,0,0,0,0|2,0,0]=4 2330 B8R1.4 Cc1ncnc(c1)C 1P001OOH [1,1,0,0,0,0|2,0,0]=4 2331 B8R1.4 Cc1ncnc(c1)Cl 1P0034KF [1,1,0,0,0,0|2,0,0]=4 2332 B8R1.4 Cc1ncnc(c1)I 1P01ALSV [1,1,0,0,0,0|2,0,0]=4 2333 B8R1.4 Cc1ncnc(c1)N 1P00I78P [1,1,0,0,0,0|2,0,0]=4 2334 B8R1.4 Cc1ncnc(c1)O 1P001PCL [1,1,0,0,0,0|2,0,0]=4 2335 B8R1.4 Clc1cccc(n1)Br 1P00D8GQ [1,1,0,0,0,0|2,0,0]=4 2336 B8R1.4 Clc1cccc(n1)Cl 1P0033I1 [1,1,0,0,0,0|2,0,0]=4 2337 B8R1.4 Clc1cccc(n1)I 1P0037YD [1,1,0,0,0,0|2,0,0]=4 2338 B8R1.4 Clc1ccnc(c1)Br 1P002LYR [1,1,0,0,0,0|2,0,0]=4 2339 B8R1.4 Clc1ccnc(c1)C 1P003LKU [1,1,0,0,0,0|1,0,0]=3 2340 B8R1.4 Clc1ccnc(c1)Cl 1P002TQX [1,1,0,0,0,0|2,0,0]=4 2341 B8R1.4 Clc1ccnc(c1)F 1P00BZZP [1,1,0,0,0,0|2,0,0]=4 2342 B8R1.4 Clc1ccnc(c1)I 1P002LYQ [1,1,0,0,0,0|2,0,0]=4 2343 B8R1.4 Clc1ccnc(c1)N 1P002BO7 [1,1,0,0,0,0|2,0,0]=4 2344 B8R1.4 Clc1ccnc(c1)O 1P00397T [1,1,0,0,0,0|2,0,0]=4 2345 B8R1.4 Clc1ccnc(n1)C 1P00D9MU [1,1,0,0,0,0|2,0,0]=4 2346 B8R1.4 Clc1cncc(=O)[nH]1 1P003HHB [1,1,0,0,0,0|1,0,1]=4 2347 B8R1.4 Clc1cncc(c1)Br 1P003433 [1,1,0,0,0,0|2,0,0]=4 2348 B8R1.4 Clc1cncc(c1)Cl 1P002P2J [1,1,0,0,0,0|2,0,0]=4 2349 B8R1.4 Clc1cncc(c1)I 1P003JQ7 [1,1,0,0,0,0|2,0,0]=4 2350 B8R1.4 Clc1cncc(n1)Br 1P006EX9 [1,1,0,0,0,0|1,0,0]=3 2351 B8R1.4 Clc1cncc(n1)Cl 1P0033I0 [1,1,0,0,0,0|1,0,0]=3 2352 B8R1.4 Clc1cncc(n1)I 1P01DU8C [1,1,0,0,0,0|1,0,0]=3 2353 B8R1.4 Clc1cnnc(c1)C 1P01PAXQ [1,1,0,0,0,0|2,0,0]=4 2354 B8R1.4 Fc1cccc(n1)Br 1P001JEO [1,1,0,0,0,0|2,0,0]=4 2355 B8R1.4 Fc1cccc(n1)Cl 1P002KDX [1,1,0,0,0,0|2,0,0]=4 2356 B8R1.4 Fc1cccc(n1)F 1P001NQB [1,1,0,0,0,0|2,0,0]=4 2357 B8R1.4 Fc1ccnc(c1)Br 1P0033M2 [1,1,0,0,0,0|2,0,0]=4 2358 B8R1.4 Fc1ccnc(c1)C 1P0038X5 [1,1,0,0,0,0|1,0,0]=3 2359 B8R1.4 Fc1ccnc(c1)Cl 1P003HDV [1,1,0,0,0,0|2,0,0]=4 2360 B8R1.4 Fc1ccnc(c1)F 1P00BXW3 [1,1,0,0,0,0|2,0,0]=4 2361 B8R1.4 Fc1ccnc(c1)I 1P01XDP3 [1,1,0,0,0,0|2,0,0]=4 2362 B8R1.4 Fc1ccnc(c1)N 1P003GVZ [1,1,0,0,0,0|2,0,0]=4 2363 B8R1.4 Fc1ccnc(c1)N 1P01B5I0 [1,1,0,0,0,0|2,0,0]=4 2364 B8R1.4 Fc1cncc(c1)Br 1P0032QZ [1,1,0,0,0,0|2,0,0]=4 2365 B8R1.4 Fc1cncc(c1)Cl 1P006W8W [1,1,0,0,0,0|2,0,0]=4 2366 B8R1.4 Fc1cncc(c1)F 1P003J3V [1,1,0,0,0,0|2,0,0]=4 2367 B8R1.4 Fc1cncc(c1)I 1P00374U [1,1,0,0,0,0|2,0,0]=4 2368 B8R1.4 Fc1cncc(n1)Br 1P0093B4 [1,1,0,0,0,0|1,0,0]=3 2369 B8R1.4 Fc1cncc(n1)F 1P00CUWH [1,1,0,0,0,0|1,0,0]=3 2370 B8R1.4 Ic1cccc(n1)I 1P00DA07 [1,1,0,0,0,0|2,0,0]=4 2371 B8R1.4 Ic1ccnc(c1)Br 1P0002PW [1,1,0,0,0,0|2,0,0]=4 2372 B8R1.4 Ic1ccnc(c1)C 1P007PF1 [1,1,0,0,0,0|1,0,0]=3 2373 B8R1.4 Ic1ccnc(c1)Cl 1P0033ON [1,1,0,0,0,0|2,0,0]=4 2374 B8R1.4 Ic1ccnc(c1)F 1P0033RQ [1,1,0,0,0,0|2,0,0]=4 2375 B8R1.4 Ic1ccnc(c1)I 1P0056X9 [1,1,0,0,0,0|2,0,0]=4 2376 B8R1.4 Ic1ccnc(c1)N 1P00DGDV [1,1,0,0,0,0|2,0,0]=4 2377 B8R1.4 Ic1ccnc(n1)C 1P00IDV7 [1,1,0,0,0,0|2,0,0]=4 2378 B8R1.4 Ic1cncc(c1)I 1P00DGOK [1,1,0,0,0,0|2,0,0]=4 2379 B8R1.4 Ic1cncc(n1)I 1P00EA5L [1,1,0,0,0,0|1,0,0]=3 2380 B8R1.4 Nc1cccc(n1)Br 1P002BO6 [1,1,0,0,0,0|2,0,0]=4 2381 B8R1.4 Nc1cccc(n1)Cl 1P003GYY [1,1,0,0,0,0|2,0,0]=4 2382 B8R1.4 Nc1cccc(n1)F 1P001RT3 [1,1,0,0,0,0|2,0,0]=4 2383 B8R1.4 Nc1cccc(n1)I 1P0049TH [1,1,0,0,0,0|2,0,0]=4 2384 B8R1.4 Nc1cccc(n1)I 1P0290TM [1,1,0,0,0,0|2,0,0]=4 2385 B8R1.4 Nc1cccc(n1)N 1P001G6V [1,1,0,0,0,0|2,0,0]=4 2386 B8R1.4 Nc1cccc(n1)N 1P007YE7 [1,1,0,0,0,0|2,0,0]=4 2387 B8R1.4 Nc1cccc(n1)O 1P009907 [1,1,0,0,0,0|2,0,0]=4 2388 B8R1.4 Nc1cccc(n1)O 1P00EJ34 [1,1,0,0,0,0|2,0,0]=4 2389 B8R1.4 Nc1ccnc(c1)Br 1P008PDO [1,1,0,0,0,0|2,0,0]=4 2390 B8R1.4 Nc1ccnc(c1)C 1P003L5H [1,1,0,0,0,0|1,0,0]=3 2391 B8R1.4 Nc1ccnc(c1)Cl 1P001JSL [1,1,0,0,0,0|2,0,0]=4 2392 B8R1.4 Nc1ccnc(c1)F 1P0076RG [1,1,0,0,0,0|2,0,0]=4 2393 B8R1.4 Nc1ccnc(c1)I 1P0049B4 [1,1,0,0,0,0|2,0,0]=4 2394 B8R1.4 Nc1ccnc(c1)N 1P003UIZ [1,1,0,0,0,0|2,0,0]=4 2395 B8R1.4 Nc1ccnc(c1)O 1P00EJV9 [1,1,0,0,0,0|2,0,0]=4 2396 B8R1.4 Nc1ccnc(n1)C 1P005AMT [1,1,0,0,0,0|2,0,0]=4 2397 B8R1.4 Nc1cn[nH]c(=O)n1 1P00H052 [1,1,0,0,0,0|2,0,0]=4 2398 B8R1.4 Nc1cncc(c1)Br 1P003MYS [1,1,0,0,0,0|2,0,0]=4 2399 B8R1.4 Nc1cncc(c1)Cl 1P00BDAV [1,1,0,0,0,0|2,0,0]=4 2400 B8R1.4 Nc1cncc(c1)F 1P002L2C [1,1,0,0,0,0|2,0,0]=4 2401 B8R1.4 Nc1cncc(c1)I 1P003NA0 [1,1,0,0,0,0|2,0,0]=4 2402 B8R1.4 Nc1cncc(c1)N 1P00396A [1,1,0,0,0,0|2,0,0]=4 2403 B8R1.4 Nc1cncc(c1)N 1P01EKHM [1,1,0,0,0,0|2,0,0]=4 2404 B8R1.4 Nc1cncc(c1)N 1P02836T [1,1,0,0,0,0|2,0,0]=4 2405 B8R1.4 Nc1cncc(c1)O 1P00I7HX [1,1,0,0,0,0|2,0,0]=4 2406 B8R1.4 Nc1cncc(n1)Br 1P0037JP [1,1,0,0,0,0|1,0,0]=3 2407 B8R1.4 Nc1cncc(n1)Cl 1P0033PC [1,1,0,0,0,0|1,0,0]=3 2408 B8R1.4 Nc1cncc(n1)F 1P019DIS [1,1,0,0,0,0|1,0,0]=3 2409 B8R1.4 Nc1cncc(n1)N 1P00137A [1,1,0,0,0,0|1,0,0]=3 2410 B8R1.4 Nc1cncc(n1)N 1P0033HL [1,1,0,0,0,0|1,0,0]=3 2411 B8R1.4 Nc1cncc(n1)O 1P009QDG [1,1,0,0,0,0|1,0,0]=3 2412 B8R1.4 Nc1cnnc(c1)C 1P01C6ZT [1,1,0,0,0,0|2,0,0]=4 2413 B8R1.4 Nc1cnnc(n1)C 1P009T5V [1,1,0,0,0,0|1,0,0]=3 2414 B8R1.4 O=c1ccoc(c1)C 1P00F0CB [1,1,0,0,0,0|2,0,0]=4 2415 B8R1.4 O=c1cn[nH]c(n1)N 1P01A4A6 [1,1,0,0,0,0|2,0,0]=4 2416 B8R1.4 Oc1cccc(n1)Br 1P003H7L [1,1,0,0,0,0|2,0,0]=4 2417 B8R1.4 Oc1cccc(n1)Cl 1P005NIM [1,1,0,0,0,0|2,0,0]=4 2418 B8R1.4 Oc1cccc(n1)F 1P006YCB [1,1,0,0,0,0|2,0,0]=4 2419 B8R1.4 Oc1cccc(n1)I 1P01DED2 [1,1,0,0,0,0|2,0,0]=4 2420 B8R1.4 Oc1cccc(n1)O 1P003GLI [1,1,0,0,0,0|2,0,0]=4 2421 B8R1.4 Oc1ccnc(c1)Br 1P0037ZM [1,1,0,0,0,0|2,0,0]=4 2422 B8R1.4 Oc1ccnc(c1)C 1P0034IL [1,1,0,0,0,0|1,0,0]=3 2423 B8R1.4 Oc1ccnc(c1)Cl 1P001ZK8 [1,1,0,0,0,0|2,0,0]=4 2424 B8R1.4 Oc1ccnc(c1)F 1P007PF0 [1,1,0,0,0,0|2,0,0]=4 2425 B8R1.4 Oc1ccnc(c1)N 1P003GW0 [1,1,0,0,0,0|2,0,0]=4 2426 B8R1.4 Oc1ccnc(c1)N 1P003GW1 [1,1,0,0,0,0|2,0,0]=4 2427 B8R1.4 Oc1ccnc(c1)O 1P003GA0 [1,1,0,0,0,0|2,0,0]=4 2428 B8R1.4 Oc1ccnc(n1)C 1P0062KT [1,1,0,0,0,0|2,0,0]=4 2429 B8R1.4 Oc1ccnc(n1)C 1P01KJLN [1,1,0,0,0,0|2,0,0]=4 2430 B8R1.4 Oc1cncc(c1)Br 1P003436 [1,1,0,0,0,0|2,0,0]=4 2431 B8R1.4 Oc1cncc(c1)Cl 1P003N4S [1,1,0,0,0,0|2,0,0]=4 2432 B8R1.4 Oc1cncc(c1)F 1P002KMO [1,1,0,0,0,0|2,0,0]=4 2433 B8R1.4 Oc1cncc(c1)I 1P00BGNK [1,1,0,0,0,0|2,0,0]=4 2434 B8R1.4 Oc1cncc(c1)O 1P00C79T [1,1,0,0,0,0|2,0,0]=4 2435 B8R1.4 Oc1cncc(n1)Br 1P01DX73 [1,1,0,0,0,0|1,0,0]=3 2436 B8R1.4 Oc1cnnc(n1)O 1P003DRS [1,1,0,0,0,0|2,0,0]=4 2437 B8R1.4 Sc1cncc(c1)Br 1P00DKMY [1,1,0,0,0,0|2,0,0]=4 2438 B8R1.4 Sc1cncc(c1)Br 1P01XDEC [1,1,0,0,0,0|2,0,0]=4 2439 B8R1.4 [O-][n+]1cccc(c1)C 1P0001YU [1,1,0,0,0,0|1,0,1]=4 2440 B8R1.4 [O-][n+]1ccnc(c1)Cl 1P005PF0 [1,1,0,0,0,0|1,0,1]=4 2441 B8R1.4 [S-]c1ccnc(c1)C 1P01FLFM [1,1,0,0,0,0|1,0,0]=3 2442 B8R1.5 Brc1cccnc1C 1P00342P [1,1,0,0,0,0|1,0,0]=3 2443 B8R1.5 Brc1cccnc1Cl 1P0033O3 [1,1,0,0,0,0|2,0,0]=4 2444 B8R1.5 Brc1cccnc1F 1P00I7MV [1,1,0,0,0,0|2,0,0]=4 2445 B8R1.5 Brc1cccnc1I 1P00BZY8 [1,1,0,0,0,0|2,0,0]=4 2446 B8R1.5 Brc1cccnc1N 1P006ZHT [1,1,0,0,0,0|2,0,0]=4 2447 B8R1.5 Brc1cccnc1O 1P00342L [1,1,0,0,0,0|2,0,0]=4 2448 B8R1.5 Brc1cccnc1S 1P00FGR1 [1,1,0,0,0,0|2,0,0]=4 2449 B8R1.5 Brc1ccncc1I 1P0069LC [1,1,0,0,0,0|2,0,0]=4 2450 B8R1.5 Brc1ccnnc1C 1P028Z3K [1,1,0,0,0,0|2,0,0]=4 2451 B8R1.5 Brc1cnccc1Br 1P006ZPB [1,1,0,0,0,0|2,0,0]=4 2452 B8R1.5 Brc1cnccc1Br 1P028AT2 [1,1,0,0,0,0|2,0,0]=4 2453 B8R1.5 Brc1cnccc1I 1P0036Q5 [1,1,0,0,0,0|2,0,0]=4 2454 B8R1.5 Brc1cncnc1C 1P007YVW [1,1,0,0,0,0|2,0,0]=4 2455 B8R1.5 Brc1ncccc1Br 1P0033E8 [1,1,0,0,0,0|2,0,0]=4 2456 B8R1.5 Brc1nccnc1Br 1P006D3R [1,1,0,0,0,0|1,0,0]=3 2457 B8R1.5 CC1=NCCN=C1C 1P001RXR [1,1,0,0,0,0|0,0,2]=4 2458 B8R1.5 C[n+]1cccnc1N 1P01EX4U [1,1,0,0,0,0|2,0,0]=4 2459 B8R1.5 Cc1cccc[n+]1C 1P008F0C [1,1,0,0,0,0|1,0,1]=4 2460 B8R1.5 Cc1cccc[n+]1N 1P005AF9 [1,1,0,0,0,0|1,0,1]=4 2461 B8R1.5 Cc1cccc[n+]1[O-] 1P0033W7 [1,1,0,0,0,0|1,0,1]=4 2462 B8R1.5 Cc1ccccc1Br 1P0033NP [1,1,0,0,0,0|2,0,0]=4 2463 B8R1.5 Cc1ccccc1Cl 1P0060OI [1,1,0,0,0,0|2,0,0]=4 2464 B8R1.5 Cc1ccccc1F 1P0060O5 [1,1,0,0,0,0|2,0,0]=4 2465 B8R1.5 Cc1ccccc1I 1P003HXP [1,1,0,0,0,0|2,0,0]=4 2466 B8R1.5 Cc1ccccc1N 1P003TYU [1,1,0,0,0,0|2,0,0]=4 2467 B8R1.5 Cc1ccccc1O 1P005GSC [1,1,0,0,0,0|2,0,0]=4 2468 B8R1.5 Cc1ccccc1S 1P001358 [1,1,0,0,0,0|2,0,0]=4 2469 B8R1.5 Cc1cccnc1Br 1P003H3T [1,1,0,0,0,0|1,0,0]=3 2470 B8R1.5 Cc1cccnc1Cl 1P003HCR [1,1,0,0,0,0|1,0,0]=3 2471 B8R1.5 Cc1cccnc1F 1P002OMV [1,1,0,0,0,0|1,0,0]=3 2472 B8R1.5 Cc1cccnc1I 1P006ZIM [1,1,0,0,0,0|1,0,0]=3 2473 B8R1.5 Cc1cccnc1N 1P003GUI [1,1,0,0,0,0|1,0,0]=3 2474 B8R1.5 Cc1cccnc1O 1P006L3K [1,1,0,0,0,0|1,0,0]=3 2475 B8R1.5 Cc1ccncc1Br 1P00342Z [1,1,0,0,0,0|2,0,0]=4 2476 B8R1.5 Cc1ccncc1Cl 1P00344K [1,1,0,0,0,0|2,0,0]=4 2477 B8R1.5 Cc1ccncc1F 1P00I8AH [1,1,0,0,0,0|2,0,0]=4 2478 B8R1.5 Cc1ccncc1I 1P00CHQ4 [1,1,0,0,0,0|2,0,0]=4 2479 B8R1.5 Cc1ccncc1N 1P00341P [1,1,0,0,0,0|2,0,0]=4 2480 B8R1.5 Cc1ccncc1O 1P003K0L [1,1,0,0,0,0|2,0,0]=4 2481 B8R1.5 Cc1ccnnc1Br 1P001H7G [1,1,0,0,0,0|2,0,0]=4 2482 B8R1.5 Cc1ccnnc1Cl 1P005MDO [1,1,0,0,0,0|2,0,0]=4 2483 B8R1.5 Cc1ccnnc1N 1P003JCM [1,1,0,0,0,0|2,0,0]=4 2484 B8R1.5 Cc1cnccc1Br 1P0034EI [1,1,0,0,0,0|1,0,0]=3 2485 B8R1.5 Cc1cnccc1Br 1P00HF33 [1,1,0,0,0,0|1,0,0]=3 2486 B8R1.5 Cc1cnccc1C 1P00E9VT [1,1,0,0,0,0|1,0,0]=3 2487 B8R1.5 Cc1cnccc1Cl 1P001Y9Y [1,1,0,0,0,0|1,0,0]=3 2488 B8R1.5 Cc1cnccc1Cl 1P003LLP [1,1,0,0,0,0|1,0,0]=3 2489 B8R1.5 Cc1cnccc1F 1P002VYO [1,1,0,0,0,0|1,0,0]=3 2490 B8R1.5 Cc1cnccc1I 1P01ELGO [1,1,0,0,0,0|1,0,0]=3 2491 B8R1.5 Cc1cnccc1N 1P002CC8 [1,1,0,0,0,0|1,0,0]=3 2492 B8R1.5 Cc1cnccc1O 1P00347V [1,1,0,0,0,0|1,0,0]=3 2493 B8R1.5 Cc1cncnc1Br 1P000P75 [1,1,0,0,0,0|2,0,0]=4 2494 B8R1.5 Cc1cncnc1Cl 1P00DB4W [1,1,0,0,0,0|2,0,0]=4 2495 B8R1.5 Cc1cncnc1N 1P0037ZT [1,1,0,0,0,0|2,0,0]=4 2496 B8R1.5 Cc1cncnc1O 1P007URT [1,1,0,0,0,0|2,0,0]=4 2497 B8R1.5 Cc1cnncc1N 1P00H51F [1,1,0,0,0,0|2,0,0]=4 2498 B8R1.5 Cc1cnncc1N 1P01KY6Y [1,1,0,0,0,0|2,0,0]=4 2499 B8R1.5 Cc1ncccc1C 1P003G1A [1,1,0,0,0,0|1,0,0]=3 2500 B8R1.5 Cc1nccnc1Br 1P003H3S [1,1,0,0,0,0|0,0,0]=2 2501 B8R1.5 Cc1nccnc1C 1P003G19 [1,1,0,0,0,0|0,0,0]=2 2502 B8R1.5 Cc1nccnc1Cl 1P0033O7 [1,1,0,0,0,0|0,0,0]=2 2503 B8R1.5 Cc1nccnc1F 1P028HOG [1,1,0,0,0,0|0,0,0]=2 2504 B8R1.5 Cc1nccnc1I 1P00EGD2 [1,1,0,0,0,0|0,0,0]=2 2505 B8R1.5 Cc1nccnc1N 1P002BXP [1,1,0,0,0,0|0,0,0]=2 2506 B8R1.5 Cc1nccnc1N 1P01FJXT [1,1,0,0,0,0|0,0,0]=2 2507 B8R1.5 Cc1nnccc1C 1P01AMA9 [1,1,0,0,0,0|2,0,0]=4 2508 B8R1.5 Cc1nncnc1O 1P00HZ45 [1,1,0,0,0,0|1,0,0]=3 2509 B8R1.5 Clc1cccnc1Br 1P0033LM [1,1,0,0,0,0|2,0,0]=4 2510 B8R1.5 Clc1cccnc1C 1P008RBW [1,1,0,0,0,0|1,0,0]=3 2511 B8R1.5 Clc1cccnc1F 1P003JNM [1,1,0,0,0,0|2,0,0]=4 2512 B8R1.5 Clc1cccnc1I 1P0036XU [1,1,0,0,0,0|2,0,0]=4 2513 B8R1.5 Clc1cccnc1N 1P003GU5 [1,1,0,0,0,0|2,0,0]=4 2514 B8R1.5 Clc1cccnc1O 1P003JS9 [1,1,0,0,0,0|2,0,0]=4 2515 B8R1.5 Clc1cccnc1S 1P00EJOL [1,1,0,0,0,0|2,0,0]=4 2516 B8R1.5 Clc1ccncc1Br 1P00238J [1,1,0,0,0,0|2,0,0]=4 2517 B8R1.5 Clc1ccncc1Br 1P0038DU [1,1,0,0,0,0|2,0,0]=4 2518 B8R1.5 Clc1ccncc1I 1P003LLL [1,1,0,0,0,0|2,0,0]=4 2519 B8R1.5 Clc1ccncc1I 1P01DMJT [1,1,0,0,0,0|2,0,0]=4 2520 B8R1.5 Clc1ccnnc1C 1P027OIV [1,1,0,0,0,0|2,0,0]=4 2521 B8R1.5 Clc1cnccc1Br 1P005Z31 [1,1,0,0,0,0|2,0,0]=4 2522 B8R1.5 Clc1cnccc1Cl 1P00DECZ [1,1,0,0,0,0|2,0,0]=4 2523 B8R1.5 Clc1cnccc1I 1P008NQC [1,1,0,0,0,0|2,0,0]=4 2524 B8R1.5 Clc1cncnc1C 1P00DF1Z [1,1,0,0,0,0|2,0,0]=4 2525 B8R1.5 Clc1ncccc1Cl 1P0033ED [1,1,0,0,0,0|2,0,0]=4 2526 B8R1.5 Clc1nccnc1Br 1P0093ET [1,1,0,0,0,0|1,0,0]=3 2527 B8R1.5 Clc1nccnc1Cl 1P003FYH [1,1,0,0,0,0|1,0,0]=3 2528 B8R1.5 Clc1nccnc1I 1P003BCW [1,1,0,0,0,0|1,0,0]=3 2529 B8R1.5 Cn1cccnc1=S 1P01EXP3 [1,1,0,0,0,0|2,0,0]=4 2530 B8R1.5 Fc1cccnc1Br 1P0033LP [1,1,0,0,0,0|2,0,0]=4 2531 B8R1.5 Fc1cccnc1C 1P001R2T [1,1,0,0,0,0|1,0,0]=3 2532 B8R1.5 Fc1cccnc1Cl 1P003HC6 [1,1,0,0,0,0|2,0,0]=4 2533 B8R1.5 Fc1cccnc1I 1P001E78 [1,1,0,0,0,0|2,0,0]=4 2534 B8R1.5 Fc1cccnc1N 1P003GU9 [1,1,0,0,0,0|2,0,0]=4 2535 B8R1.5 Fc1cccnc1O 1P003JVS [1,1,0,0,0,0|2,0,0]=4 2536 B8R1.5 Fc1ccncc1Br 1P000DU4 [1,1,0,0,0,0|2,0,0]=4 2537 B8R1.5 Fc1ccncc1Cl 1P00496H [1,1,0,0,0,0|2,0,0]=4 2538 B8R1.5 Fc1cnccc1Br 1P000HQI [1,1,0,0,0,0|2,0,0]=4 2539 B8R1.5 Fc1cnccc1Br 1P00387U [1,1,0,0,0,0|2,0,0]=4 2540 B8R1.5 Fc1cnccc1Cl 1P000IW9 [1,1,0,0,0,0|2,0,0]=4 2541 B8R1.5 Fc1cnccc1Cl 1P0034G5 [1,1,0,0,0,0|2,0,0]=4 2542 B8R1.5 Fc1cnccc1F 1P0038VF [1,1,0,0,0,0|2,0,0]=4 2543 B8R1.5 Fc1cnccc1I 1P00345U [1,1,0,0,0,0|2,0,0]=4 2544 B8R1.5 Fc1cnccc1S 1P01DYY6 [1,1,0,0,0,0|2,0,0]=4 2545 B8R1.5 Fc1ncccc1F 1P001NQA [1,1,0,0,0,0|2,0,0]=4 2546 B8R1.5 Fc1nccnc1Br 1P002IV2 [1,1,0,0,0,0|1,0,0]=3 2547 B8R1.5 Fc1nccnc1Cl 1P0285JV [1,1,0,0,0,0|1,0,0]=3 2548 B8R1.5 Fc1nccnc1F 1P00I9WA [1,1,0,0,0,0|1,0,0]=3 2549 B8R1.5 Fc1nccnc1I 1P00CG68 [1,1,0,0,0,0|1,0,0]=3 2550 B8R1.5 Ic1cccnc1Br 1P002UAK [1,1,0,0,0,0|2,0,0]=4 2551 B8R1.5 Ic1cccnc1C 1P001NKR [1,1,0,0,0,0|1,0,0]=3 2552 B8R1.5 Ic1cccnc1Cl 1P003HCE [1,1,0,0,0,0|2,0,0]=4 2553 B8R1.5 Ic1cccnc1F 1P000AOS [1,1,0,0,0,0|2,0,0]=4 2554 B8R1.5 Ic1cccnc1N 1P003K2I [1,1,0,0,0,0|2,0,0]=4 2555 B8R1.5 Ic1cccnc1O 1P008ZKZ [1,1,0,0,0,0|2,0,0]=4 2556 B8R1.5 Ic1cnccc1I 1P01KLJE [1,1,0,0,0,0|2,0,0]=4 2557 B8R1.5 Ic1cncnc1C 1P00H1F1 [1,1,0,0,0,0|2,0,0]=4 2558 B8R1.5 Ic1ncccc1I 1P003FZY [1,1,0,0,0,0|2,0,0]=4 2559 B8R1.5 Ic1nccnc1I 1P01K2EU [1,1,0,0,0,0|1,0,0]=3 2560 B8R1.5 Nc1cccnc1Br 1P003JB2 [1,1,0,0,0,0|2,0,0]=4 2561 B8R1.5 Nc1cccnc1C 1P00341I [1,1,0,0,0,0|1,0,0]=3 2562 B8R1.5 Nc1cccnc1Cl 1P003HBX [1,1,0,0,0,0|2,0,0]=4 2563 B8R1.5 Nc1cccnc1F 1P001RT2 [1,1,0,0,0,0|2,0,0]=4 2564 B8R1.5 Nc1cccnc1I 1P002KMR [1,1,0,0,0,0|2,0,0]=4 2565 B8R1.5 Nc1cccnc1O 1P00IB08 [1,1,0,0,0,0|2,0,0]=4 2566 B8R1.5 Nc1cccnc1O 1P01A8IE [1,1,0,0,0,0|2,0,0]=4 2567 B8R1.5 Nc1ccncc1Br 1P0034CX [1,1,0,0,0,0|2,0,0]=4 2568 B8R1.5 Nc1ccncc1Cl 1P002BO8 [1,1,0,0,0,0|2,0,0]=4 2569 B8R1.5 Nc1ccncc1F 1P003L66 [1,1,0,0,0,0|2,0,0]=4 2570 B8R1.5 Nc1ccncc1I 1P003L6A [1,1,0,0,0,0|2,0,0]=4 2571 B8R1.5 Nc1ccncc1O 1P003AUC [1,1,0,0,0,0|2,0,0]=4 2572 B8R1.5 Nc1ccncc1O 1P003L68 [1,1,0,0,0,0|2,0,0]=4 2573 B8R1.5 Nc1ccncc1O 1P008WTQ [1,1,0,0,0,0|2,0,0]=4 2574 B8R1.5 Nc1ccnnc1C 1P01A5Q6 [1,1,0,0,0,0|2,0,0]=4 2575 B8R1.5 Nc1cnccc1Br 1P00I532 [1,1,0,0,0,0|2,0,0]=4 2576 B8R1.5 Nc1cnccc1Cl 1P002ACF [1,1,0,0,0,0|2,0,0]=4 2577 B8R1.5 Nc1cnccc1F 1P01BBYC [1,1,0,0,0,0|2,0,0]=4 2578 B8R1.5 Nc1cnccc1I 1P0038HQ [1,1,0,0,0,0|2,0,0]=4 2579 B8R1.5 Nc1cnccc1N 1P003IW5 [1,1,0,0,0,0|2,0,0]=4 2580 B8R1.5 Nc1cnccc1O 1P00954L [1,1,0,0,0,0|2,0,0]=4 2581 B8R1.5 Nc1cnccc1S 1P00H1LW [1,1,0,0,0,0|2,0,0]=4 2582 B8R1.5 Nc1cncnc1C 1P00C0LQ [1,1,0,0,0,0|2,0,0]=4 2583 B8R1.5 Nc1ncccc1N 1P00396H [1,1,0,0,0,0|2,0,0]=4 2584 B8R1.5 Nc1nccnc1Br 1P007P84 [1,1,0,0,0,0|1,0,0]=3 2585 B8R1.5 Nc1nccnc1Cl 1P003GU4 [1,1,0,0,0,0|1,0,0]=3 2586 B8R1.5 Nc1nccnc1F 1P019DIR [1,1,0,0,0,0|1,0,0]=3 2587 B8R1.5 Nc1nccnc1I 1P007G5N [1,1,0,0,0,0|1,0,0]=3 2588 B8R1.5 Nc1nccnc1N 1P000WG1 [1,1,0,0,0,0|1,0,0]=3 2589 B8R1.5 O=c1[nH]cccc1C 1P0001Z2 [1,1,0,0,0,0|1,0,1]=4 2590 B8R1.5 O=c1[nH]ccnc1C 1P002BXQ [1,1,0,0,0,0|0,0,1]=3 2591 B8R1.5 O=c1[nH]ccnc1C 1P01BCE2 [1,1,0,0,0,0|0,0,1]=3 2592 B8R1.5 O=c1[nH]ccnc1Cl 1P0096JP [1,1,0,0,0,0|1,0,1]=4 2593 B8R1.5 O=c1[nH]ccnc1N 1P003JEO [1,1,0,0,0,0|1,0,1]=4 2594 B8R1.5 Oc1cccnc1Br 1P0033LQ [1,1,0,0,0,0|2,0,0]=4 2595 B8R1.5 Oc1cccnc1C 1P00346K [1,1,0,0,0,0|1,0,0]=3 2596 B8R1.5 Oc1cccnc1Cl 1P0033O5 [1,1,0,0,0,0|2,0,0]=4 2597 B8R1.5 Oc1cccnc1F 1P0020B6 [1,1,0,0,0,0|2,0,0]=4 2598 B8R1.5 Oc1cccnc1I 1P003HX4 [1,1,0,0,0,0|2,0,0]=4 2599 B8R1.5 Oc1cccnc1N 1P003GUC [1,1,0,0,0,0|2,0,0]=4 2600 B8R1.5 Oc1ccncc1Br 1P003JIN [1,1,0,0,0,0|2,0,0]=4 2601 B8R1.5 Oc1ccncc1Cl 1P003JOW [1,1,0,0,0,0|2,0,0]=4 2602 B8R1.5 Oc1ccncc1F 1P0036K6 [1,1,0,0,0,0|2,0,0]=4 2603 B8R1.5 Oc1ccncc1I 1P003K2J [1,1,0,0,0,0|2,0,0]=4 2604 B8R1.5 Oc1cnccc1Br 1P001SX1 [1,1,0,0,0,0|2,0,0]=4 2605 B8R1.5 Oc1cnccc1Cl 1P0034G7 [1,1,0,0,0,0|2,0,0]=4 2606 B8R1.5 Oc1cnccc1I 1P002H4K [1,1,0,0,0,0|2,0,0]=4 2607 B8R1.5 Oc1cnccc1O 1P00063S [1,1,0,0,0,0|2,0,0]=4 2608 B8R1.5 Oc1cncnc1C 1P0004JY [1,1,0,0,0,0|2,0,0]=4 2609 B8R1.5 Oc1ncccc1O 1P0036P2 [1,1,0,0,0,0|2,0,0]=4 2610 B8R1.5 Oc1nccnc1Br 1P009KC7 [1,1,0,0,0,0|1,0,0]=3 2611 B8R1.5 Oc1nccnc1I 1P028MFM [1,1,0,0,0,0|1,0,0]=3 2612 B8R1.5 Oc1nccnc1O 1P01EC4P [1,1,0,0,0,0|1,0,0]=3 2613 B8R1.5 S=C1C=CN=CC1C 1P019DS7 [1,1,0,0,0,0|1,0,1]=4 2614 B8R1.5 S=c1[nH]cccc1C 1P0076M2 [1,1,0,0,0,0|1,0,1]=4 2615 B8R1.5 S=c1[nH]ccnc1C 1P01GFHU [1,1,0,0,0,0|0,0,1]=3 2616 B8R1.5 Sc1ccncc1Br 1P00G47E [1,1,0,0,0,0|2,0,0]=4 2617 B8R1.5 Sc1ccncc1Cl 1P01BIHD [1,1,0,0,0,0|2,0,0]=4 2618 B8R1.5 [O-]c1ccccc1C 1P00E08C [1,1,0,0,0,0|2,0,0]=4 2619 B8R1.1 BrCc1ccc(s1)Br 1P00EE3T [0,1,0,0,1,0|2,0,0]=4 2620 B8R1.1 BrCc1cnc(s1)Br 1P00105F [0,1,0,0,1,0|2,0,0]=4 2621 B8R1.1 BrCc1cnn(c1)C 1P00DM2I [0,1,0,0,1,0|2,0,0]=4 2622 B8R1.1 BrCc1csc(c1)Br 1P019NB4 [0,1,0,0,1,0|2,0,0]=4 2623 B8R1.1 BrCc1csc(c1)Cl 1P01ANP6 [0,1,0,0,1,0|2,0,0]=4 2624 B8R1.1 BrCc1csc(n1)Br 1P0022LM [0,1,0,0,1,0|2,0,0]=4 2625 B8R1.1 BrCc1ncc(s1)Br 1P01A64K [0,1,0,0,1,0|2,0,0]=4 2626 B8R1.1 BrCc1ncn(n1)C 1P02843L [0,1,0,0,1,0|2,0,0]=4 2627 B8R1.1 BrCc1noc(n1)C 1P00J379 [0,1,0,0,1,0|2,0,0]=4 2628 B8R1.1 BrCc1onc(c1)Br 1P00IFZP [0,1,0,0,1,0|2,0,0]=4 2629 B8R1.1 BrCc1onc(n1)Br 1P0015RA [0,1,0,0,1,0|2,0,0]=4 2630 B8R1.1 BrCc1scc(c1)Br 1P00GAGV [0,1,0,0,1,0|2,0,0]=4 2631 B8R1.1 BrCc1scc(n1)Br 1P02843G [0,1,0,0,1,0|2,0,0]=4 2632 B8R1.1 CCC1=CC(=O)CC1 1P00EUXA [0,1,0,0,1,0|1,0,1]=4 2633 B8R1.1 CCC1=NOC(=O)C1 1P027OCY [0,1,0,0,1,0|1,0,1]=4 2634 B8R1.1 CC[n+]1ccn(c1)C 1P0038KD [0,1,0,0,1,0|1,0,1]=4 2635 B8R1.1 CC[n+]1ccn(c1)C 1P003BIC [0,1,0,0,1,0|1,0,1]=4 2636 B8R1.1 CC[n+]1ccn(c1)C 1P003ERH [0,1,0,0,1,0|1,0,1]=4 2637 B8R1.1 CC[n+]1ccn(c1)C 1P003ERK [0,1,0,0,1,0|1,0,1]=4 2638 B8R1.1 CC[n+]1ccn(c1)C 1P007HMM [0,1,0,0,1,0|1,0,1]=4 2639 B8R1.1 CCc1[nH]nc(n1)C 1P01AIUA [0,1,0,0,1,0|1,0,0]=3 2640 B8R1.1 CCc1c[nH]c(=O)[nH]1 1P004V42 [0,1,0,0,1,0|0,0,2]=4 2641 B8R1.1 CCc1c[nH]c(n1)N 1P01K4BQ [0,1,0,0,1,0|0,0,1]=3 2642 B8R1.1 CCc1c[nH]c(n1)S 1P01A0M7 [0,1,0,0,1,0|0,0,1]=3 2643 B8R1.1 CCc1cc(=O)[nH]o1 1P00013T [0,1,0,0,1,0|1,0,1]=4 2644 B8R1.1 CCc1cc(cs1)Br 1P01AOZS [0,1,0,0,1,0|1,0,0]=3 2645 B8R1.1 CCc1cc(n[nH]1)N 1P002F0M [0,1,0,0,1,0|1,0,0]=3 2646 B8R1.1 CCc1cc(n[nH]1)O 1P00CN5C [0,1,0,0,1,0|1,0,0]=3 2647 B8R1.1 CCc1cc(no1)N 1P002BCI [0,1,0,0,1,0|1,0,0]=3 2648 B8R1.1 CCc1cc(on1)Br 1P01DVPO [0,1,0,0,1,0|1,0,0]=3 2649 B8R1.1 CCc1cc(on1)Cl 1P01DVPE [0,1,0,0,1,0|1,0,0]=3 2650 B8R1.1 CCc1cc(on1)N 1P00G4UP [0,1,0,0,1,0|1,0,0]=3 2651 B8R1.1 CCc1cc(on1)O 1P01XCDU [0,1,0,0,1,0|1,0,0]=3 2652 B8R1.1 CCc1ccc(o1)C 1P0039DO [0,1,0,0,1,0|1,0,0]=3 2653 B8R1.1 CCc1ccc(s1)Br 1P00ECEK [0,1,0,0,1,0|1,0,0]=3 2654 B8R1.1 CCc1ccc(s1)C 1P003HNV [0,1,0,0,1,0|1,0,0]=3 2655 B8R1.1 CCc1ccc(s1)O 1P01DXA4 [0,1,0,0,1,0|1,0,0]=3 2656 B8R1.1 CCc1ccc(s1)S 1P01BJP5 [0,1,0,0,1,0|1,0,0]=3 2657 B8R1.1 CCc1ccn(n1)C 1P00I66E [0,1,0,0,1,0|1,0,0]=3 2658 B8R1.1 CCc1cnc([nH]1)Br 1P0224G8 [0,1,0,0,1,0|0,0,1]=3 2659 B8R1.1 CCc1cnc(o1)Br 1P01BIV2 [0,1,0,0,1,0|1,0,0]=3 2660 B8R1.1 CCc1cnc(o1)Cl 1P028J9N [0,1,0,0,1,0|1,0,0]=3 2661 B8R1.1 CCc1cnc(o1)N 1P019YWP [0,1,0,0,1,0|1,0,0]=3 2662 B8R1.1 CCc1cnc(s1)Br 1P00AO2J [0,1,0,0,1,0|1,0,0]=3 2663 B8R1.1 CCc1cnc(s1)Cl 1P00GML7 [0,1,0,0,1,0|1,0,0]=3 2664 B8R1.1 CCc1cnc(s1)N 1P0037QG [0,1,0,0,1,0|1,0,0]=3 2665 B8R1.1 CCc1cnc(s1)N 1P01CD9U [0,1,0,0,1,0|1,0,0]=3 2666 B8R1.1 CCc1coc(n1)Br 1P01BB5C [0,1,0,0,1,0|1,0,0]=3 2667 B8R1.1 CCc1coc(n1)I 1P02928W [0,1,0,0,1,0|1,0,0]=3 2668 B8R1.1 CCc1coc(n1)N 1P01B8TQ [0,1,0,0,1,0|1,0,0]=3 2669 B8R1.1 CCc1csc(=O)[nH]1 1P01ANOJ [0,1,0,0,1,0|1,0,1]=4 2670 B8R1.1 CCc1csc(=S)[nH]1 1P01ACVC [0,1,0,0,1,0|1,0,1]=4 2671 B8R1.1 CCc1csc(c1)C 1P0012TP [0,1,0,0,1,0|1,0,0]=3 2672 B8R1.1 CCc1csc(n1)Br 1P00GUYM [0,1,0,0,1,0|1,0,0]=3 2673 B8R1.1 CCc1csc(n1)Cl 1P00H739 [0,1,0,0,1,0|1,0,0]=3 2674 B8R1.1 CCc1csc(n1)F 1P01BTYJ [0,1,0,0,1,0|1,0,0]=3 2675 B8R1.1 CCc1csc(n1)N 1P00C90S [0,1,0,0,1,0|1,0,0]=3 2676 B8R1.1 CCc1csc(n1)N 1P00J3VY [0,1,0,0,1,0|1,0,0]=3 2677 B8R1.1 CCc1n[nH]c(=S)o1 1P01EIR5 [0,1,0,0,1,0|2,0,0]=4 2678 B8R1.1 CCc1n[nH]c(=S)s1 1P0078UZ [0,1,0,0,1,0|2,0,0]=4 2679 B8R1.1 CCc1n[nH]c(n1)Br 1P001Q66 [0,1,0,0,1,0|1,0,0]=3 2680 B8R1.1 CCc1nc(cs1)Br 1P00HFS3 [0,1,0,0,1,0|1,0,0]=3 2681 B8R1.1 CCc1nc(n[nH]1)Cl 1P00JDFR [0,1,0,0,1,0|1,0,0]=3 2682 B8R1.1 CCc1nc(n[nH]1)N 1P0036NB [0,1,0,0,1,0|1,0,0]=3 2683 B8R1.1 CCc1nc(n[nH]1)S 1P005QA2 [0,1,0,0,1,0|1,0,0]=3 2684 B8R1.1 CCc1nc(no1)Br 1P009E8L [0,1,0,0,1,0|1,0,0]=3 2685 B8R1.1 CCc1nc(no1)Cl 1P009EEQ [0,1,0,0,1,0|1,0,0]=3 2686 B8R1.1 CCc1nc(no1)N 1P00HZZ7 [0,1,0,0,1,0|1,0,0]=3 2687 B8R1.1 CCc1nc(ns1)N 1P01FJXL [0,1,0,0,1,0|1,0,0]=3 2688 B8R1.1 CCc1ncc([nH]1)Br 1P001DNI [0,1,0,0,1,0|0,0,1]=3 2689 B8R1.1 CCc1ncc([nH]1)C 1P003HNU [0,1,0,0,1,0|0,0,1]=3 2690 B8R1.1 CCc1ncc([nH]1)I 1P01DX7U [0,1,0,0,1,0|0,0,1]=3 2691 B8R1.1 CCc1ncc(o1)Br 1P01ELL1 [0,1,0,0,1,0|1,0,0]=3 2692 B8R1.1 CCc1ncn(c1)C 1P01C101 [0,1,0,0,1,0|0,0,1]=3 2693 B8R1.1 CCc1nnc(o1)Br 1P023OH3 [0,1,0,0,1,0|2,0,0]=4 2694 B8R1.1 CCc1nnc(o1)Cl 1P01DZ5Z [0,1,0,0,1,0|2,0,0]=4 2695 B8R1.1 CCc1nnc(o1)N 1P00C964 [0,1,0,0,1,0|2,0,0]=4 2696 B8R1.1 CCc1nnc(o1)O 1P00D3D6 [0,1,0,0,1,0|2,0,0]=4 2697 B8R1.1 CCc1nnc(s1)Br 1P00EG7Z [0,1,0,0,1,0|2,0,0]=4 2698 B8R1.1 CCc1nnc(s1)Cl 1P005Q27 [0,1,0,0,1,0|2,0,0]=4 2699 B8R1.1 CCc1nnc(s1)I 1P01DVUL [0,1,0,0,1,0|2,0,0]=4 2700 B8R1.1 CCc1nnc(s1)N 1P001D5E [0,1,0,0,1,0|2,0,0]=4 2701 B8R1.1 CCc1nnc(s1)O 1P00HT7G [0,1,0,0,1,0|2,0,0]=4 2702 B8R1.1 CCc1noc(n1)N 1P00C8OI [0,1,0,0,1,0|1,0,0]=3 2703 B8R1.1 CCc1noc(n1)O 1P00J2XM [0,1,0,0,1,0|1,0,0]=3 2704 B8R1.1 CCc1nsc(n1)Br 1P01B70H [0,1,0,0,1,0|1,0,0]=3 2705 B8R1.1 CCc1nsc(n1)Cl 1P0004JT [0,1,0,0,1,0|1,0,0]=3 2706 B8R1.1 CCc1nsc(n1)S 1P019ZJX [0,1,0,0,1,0|1,0,0]=3 2707 B8R1.1 CCc1scc(n1)C 1P001PGP [0,1,0,0,1,0|1,0,0]=3 2708 B8R1.1 CCn1cc(cn1)Br 1P003LBJ [0,1,0,0,1,0|1,0,0]=3 2709 B8R1.1 CCn1cc(cn1)I 1P00AMGK [0,1,0,0,1,0|1,0,0]=3 2710 B8R1.1 CCn1cc(cn1)N 1P0036S6 [0,1,0,0,1,0|1,0,0]=3 2711 B8R1.1 CCn1cc(cn1)N 1P00J3H6 [0,1,0,0,1,0|1,0,0]=3 2712 B8R1.1 CCn1cc(cn1)O 1P005AYJ [0,1,0,0,1,0|1,0,0]=3 2713 B8R1.1 CCn1cc(cn1)S 1P02895I [0,1,0,0,1,0|1,0,0]=3 2714 B8R1.1 CCn1cc(nn1)Br 1P01B5JP [0,1,0,0,1,0|2,0,0]=4 2715 B8R1.1 CCn1cc(nn1)N 1P005NJM [0,1,0,0,1,0|2,0,0]=4 2716 B8R1.1 CCn1cc(nn1)N 1P00J1UV [0,1,0,0,1,0|2,0,0]=4 2717 B8R1.1 CCn1cc[n+](c1)C 1P001OBY [0,1,0,0,1,0|1,0,1]=4 2718 B8R1.1 CCn1cc[n+](c1)C 1P003AYL [0,1,0,0,1,0|1,0,1]=4 2719 B8R1.1 CCn1cc[n+](c1)C 1P003BIB [0,1,0,0,1,0|1,0,1]=4 2720 B8R1.1 CCn1cc[n+](c1)C 1P003BID [0,1,0,0,1,0|1,0,1]=4 2721 B8R1.1 CCn1cc[n+](c1)C 1P003ERJ [0,1,0,0,1,0|1,0,1]=4 2722 B8R1.1 CCn1cc[n+](c1)C 1P003ERL [0,1,0,0,1,0|1,0,1]=4 2723 B8R1.1 CCn1cc[n+](c1)C 1P003ERM [0,1,0,0,1,0|1,0,1]=4 2724 B8R1.1 CCn1cc[n+](c1)C 1P003ERN [0,1,0,0,1,0|1,0,1]=4 2725 B8R1.1 CCn1cc[n+](c1)C 1P0053QX [0,1,0,0,1,0|1,0,1]=4 2726 B8R1.1 CCn1cc[n+](c1)C 1P00DCGF [0,1,0,0,1,0|1,0,1]=4 2727 B8R1.1 CCn1cc[n+](c1)C 1P00H1OE [0,1,0,0,1,0|1,0,1]=4 2728 B8R1.1 CCn1cc[n+](c1)C 1P00ID7X [0,1,0,0,1,0|1,0,1]=4 2729 B8R1.1 CCn1cc[n+](c1)C 1P00IISX [0,1,0,0,1,0|1,0,1]=4 2730 B8R1.1 CCn1ccc(n1)Br 1P009BLV [0,1,0,0,1,0|1,0,0]=3 2731 B8R1.1 CCn1ccc(n1)C 1P0030KV [0,1,0,0,1,0|1,0,0]=3 2732 B8R1.1 CCn1ccc(n1)C 1P01C0XS [0,1,0,0,1,0|1,0,0]=3 2733 B8R1.1 CCn1ccc(n1)Cl 1P01KZM4 [0,1,0,0,1,0|1,0,0]=3 2734 B8R1.1 CCn1ccc(n1)N 1P00D912 [0,1,0,0,1,0|1,0,0]=3 2735 B8R1.1 CCn1ccc(n1)O 1P01DT9N [0,1,0,0,1,0|1,0,0]=3 2736 B8R1.1 CCn1cnc(c1)Br 1P0039KZ [0,1,0,0,1,0|1,0,0]=3 2737 B8R1.1 CCn1cnc(c1)I 1P01B9YQ [0,1,0,0,1,0|1,0,0]=3 2738 B8R1.1 CCn1cnc(c1)N 1P01EIG5 [0,1,0,0,1,0|1,0,0]=3 2739 B8R1.1 CCn1cnc(n1)Br 1P00EKD1 [0,1,0,0,1,0|1,0,0]=3 2740 B8R1.1 CCn1cnc(n1)N 1P00CUS9 [0,1,0,0,1,0|1,0,0]=3 2741 B8R1.1 CCn1cnc(n1)N 1P00J1FX [0,1,0,0,1,0|1,0,0]=3 2742 B8R1.1 CCn1ncc(c1)C 1P01APCE [0,1,0,0,1,0|1,0,0]=3 2743 B8R1.1 CCn1ncc(c1)N 1P00J2DM [0,1,0,0,1,0|1,0,0]=3 2744 B8R1.1 CCn1ncc(n1)Br 1P01ALXM [0,1,0,0,1,0|1,0,0]=3 2745 B8R1.1 CCn1ncc(n1)N 1P00J1N4 [0,1,0,0,1,0|1,0,0]=3 2746 B8R1.1 CCn1ncc(n1)N 1P01DRNT [0,1,0,0,1,0|1,0,0]=3 2747 B8R1.1 CCn1nnc(n1)N 1P005TN1 [0,1,0,0,1,0|2,0,0]=4 2748 B8R1.1 CNc1ccn(n1)C 1P01ADOO [0,1,0,0,1,0|2,0,0]=4 2749 B8R1.1 CNc1cnn(c1)C 1P00IJ27 [0,1,0,0,1,0|2,0,0]=4 2750 B8R1.1 CNc1cnn(c1)C 1P01AKZW [0,1,0,0,1,0|2,0,0]=4 2751 B8R1.1 CNc1n[nH]c(c1)C 1P01AKYO [0,1,0,0,1,0|2,0,0]=4 2752 B8R1.1 CNc1n[nH]c(n1)N 1P004JP5 [0,1,0,0,1,0|2,0,0]=4 2753 B8R1.1 CNc1nc(cs1)Br 1P0039U8 [0,1,0,0,1,0|2,0,0]=4 2754 B8R1.1 CNc1nc(ns1)Br 1P01X6BZ [0,1,0,0,1,0|2,0,0]=4 2755 B8R1.1 CNc1nc(ns1)Cl 1P028NVZ [0,1,0,0,1,0|2,0,0]=4 2756 B8R1.1 CNc1ncc(s1)Br 1P01C5SV [0,1,0,0,1,0|2,0,0]=4 2757 B8R1.1 CNc1ncc(s1)C 1P019DQ8 [0,1,0,0,1,0|2,0,0]=4 2758 B8R1.1 CNc1ncc(s1)C 1P01FKWA [0,1,0,0,1,0|2,0,0]=4 2759 B8R1.1 CNc1ncc(s1)Cl 1P01AN5E [0,1,0,0,1,0|2,0,0]=4 2760 B8R1.1 CNc1noc(c1)C 1P01FKW9 [0,1,0,0,1,0|2,0,0]=4 2761 B8R1.1 CNc1onc(n1)C 1P01DX58 [0,1,0,0,1,0|2,0,0]=4 2762 B8R1.1 CNc1scc(n1)C 1P007Q89 [0,1,0,0,1,0|2,0,0]=4 2763 B8R1.1 CNc1snc(n1)C 1P007B52 [0,1,0,0,1,0|2,0,0]=4 2764 B8R1.1 COc1[nH]nc(c1)C 1P01DWST [0,1,0,0,1,0|2,0,0]=4 2765 B8R1.1 COc1cc([nH]n1)Br 1P00H9YP [0,1,0,0,1,0|2,0,0]=4 2766 B8R1.1 COc1cc(n[nH]1)N 1P0072T3 [0,1,0,0,1,0|2,0,0]=4 2767 B8R1.1 COc1cc(n[nH]1)N 1P007CIK [0,1,0,0,1,0|2,0,0]=4 2768 B8R1.1 COc1cc(no1)N 1P007H9E [0,1,0,0,1,0|2,0,0]=4 2769 B8R1.1 COc1cc(on1)N 1P01KLCM [0,1,0,0,1,0|2,0,0]=4 2770 B8R1.1 COc1cc(sn1)Br 1P01C22I [0,1,0,0,1,0|2,0,0]=4 2771 B8R1.1 COc1cc(sn1)N 1P01EK5J [0,1,0,0,1,0|2,0,0]=4 2772 B8R1.1 COc1ccc(s1)Br 1P003H6P [0,1,0,0,1,0|2,0,0]=4 2773 B8R1.1 COc1cnc(s1)C 1P00BXUC [0,1,0,0,1,0|2,0,0]=4 2774 B8R1.1 COc1cnc(s1)N 1P00EAWD [0,1,0,0,1,0|2,0,0]=4 2775 B8R1.1 COc1csc(n1)Br 1P01DVG7 [0,1,0,0,1,0|2,0,0]=4 2776 B8R1.1 COc1n[nH]c(n1)Br 1P001Q64 [0,1,0,0,1,0|2,0,0]=4 2777 B8R1.1 COc1nc(cs1)Br 1P00C2ED [0,1,0,0,1,0|2,0,0]=4 2778 B8R1.1 COc1nc(cs1)I 1P01BK7C [0,1,0,0,1,0|2,0,0]=4 2779 B8R1.1 COc1nc(ns1)N 1P00C8MR [0,1,0,0,1,0|2,0,0]=4 2780 B8R1.1 COc1ncc(s1)Br 1P00DE93 [0,1,0,0,1,0|2,0,0]=4 2781 B8R1.1 COc1ncc(s1)I 1P01ELXZ [0,1,0,0,1,0|2,0,0]=4 2782 B8R1.1 COc1noc(c1)C 1P001YOF [0,1,0,0,1,0|2,0,0]=4 2783 B8R1.1 COc1nsc(n1)N 1P005X7N [0,1,0,0,1,0|2,0,0]=4 2784 B8R1.1 CSc1cc(n[nH]1)N 1P008ZK0 [0,1,0,0,1,0|2,0,0]=4 2785 B8R1.1 CSc1cnc(s1)N 1P00IKP2 [0,1,0,0,1,0|2,0,0]=4 2786 B8R1.1 CSc1n[nH]c(n1)Br 1P001Q63 [0,1,0,0,1,0|2,0,0]=4 2787 B8R1.1 CSc1n[nH]c(n1)Cl 1P00DDH5 [0,1,0,0,1,0|2,0,0]=4 2788 B8R1.1 CSc1nc(cs1)Br 1P002A0P [0,1,0,0,1,0|2,0,0]=4 2789 B8R1.1 CSc1nc(n[nH]1)N 1P003JDD [0,1,0,0,1,0|2,0,0]=4 2790 B8R1.1 CSc1nc(ns1)Br 1P0077RY [0,1,0,0,1,0|2,0,0]=4 2791 B8R1.1 CSc1nc(ns1)Cl 1P0006DX [0,1,0,0,1,0|2,0,0]=4 2792 B8R1.1 CSc1nc(ns1)N 1P00EE9X [0,1,0,0,1,0|2,0,0]=4 2793 B8R1.1 CSc1nc(ns1)O 1P00EBQR [0,1,0,0,1,0|2,0,0]=4 2794 B8R1.1 CSc1ncc(s1)Br 1P01UOVY [0,1,0,0,1,0|2,0,0]=4 2795 B8R1.1 CSc1noc(n1)N 1P00E6TW [0,1,0,0,1,0|2,0,0]=4 2796 B8R1.1 CSc1nsc(n1)Cl 1P00CC17 [0,1,0,0,1,0|2,0,0]=4 2797 B8R1.1 CSc1nsc(n1)N 1P005Y82 [0,1,0,0,1,0|2,0,0]=4 2798 B8R1.1 Cc1c[nH]c(n1)CBr 1P0286E1 [0,1,0,0,1,0|1,0,1]=4 2799 B8R1.1 Cc1c[nH]c(n1)CCl 1P01EMA8 [0,1,0,0,1,0|1,0,1]=4 2800 B8R1.1 Cc1cc([nH]n1)CN 1P00DDAT [0,1,0,0,1,0|2,0,0]=4 2801 B8R1.1 Cc1cc([nH]n1)CN 1P00J1L2 [0,1,0,0,1,0|2,0,0]=4 2802 B8R1.1 Cc1cc([nH]n1)CO 1P00AMG5 [0,1,0,0,1,0|2,0,0]=4 2803 B8R1.1 Cc1cc(n[nH]1)CCl 1P024Q2W [0,1,0,0,1,0|2,0,0]=4 2804 B8R1.1 Cc1cc(n[nH]1)CO 1P0021VE [0,1,0,0,1,0|2,0,0]=4 2805 B8R1.1 Cc1cc(no1)CBr 1P000V6J [0,1,0,0,1,0|2,0,0]=4 2806 B8R1.1 Cc1cc(no1)CCl 1P00I7FL [0,1,0,0,1,0|2,0,0]=4 2807 B8R1.1 Cc1cc(no1)CN 1P007HB0 [0,1,0,0,1,0|2,0,0]=4 2808 B8R1.1 Cc1cc(no1)CN 1P008SBK [0,1,0,0,1,0|2,0,0]=4 2809 B8R1.1 Cc1cc(no1)CO 1P003K19 [0,1,0,0,1,0|2,0,0]=4 2810 B8R1.1 Cc1cc(no1)CS 1P01CAMG [0,1,0,0,1,0|2,0,0]=4 2811 B8R1.1 Cc1cc(ns1)CCl 1P0280TX [0,1,0,0,1,0|2,0,0]=4 2812 B8R1.1 Cc1cc(ns1)CO 1P00AO1D [0,1,0,0,1,0|2,0,0]=4 2813 B8R1.1 Cc1cc(oc1)CO 1P01BUE0 [0,1,0,0,1,0|2,0,0]=4 2814 B8R1.1 Cc1cc(on1)CBr 1P00C8P2 [0,1,0,0,1,0|2,0,0]=4 2815 B8R1.1 Cc1cc(on1)CCl 1P00I8DH [0,1,0,0,1,0|2,0,0]=4 2816 B8R1.1 Cc1cc(on1)CN 1P0039IC [0,1,0,0,1,0|2,0,0]=4 2817 B8R1.1 Cc1cc(on1)CN 1P00FGSG [0,1,0,0,1,0|2,0,0]=4 2818 B8R1.1 Cc1cc(on1)CO 1P001F53 [0,1,0,0,1,0|2,0,0]=4 2819 B8R1.1 Cc1cc(on1)CS 1P02920V [0,1,0,0,1,0|2,0,0]=4 2820 B8R1.1 Cc1cc(sc1)CN 1P01C1JY [0,1,0,0,1,0|2,0,0]=4 2821 B8R1.1 Cc1cc(sc1)CO 1P005M4K [0,1,0,0,1,0|2,0,0]=4 2822 B8R1.1 Cc1cc(sn1)CCl 1P01BU65 [0,1,0,0,1,0|2,0,0]=4 2823 B8R1.1 Cc1cc(sn1)CN 1P023OR9 [0,1,0,0,1,0|2,0,0]=4 2824 B8R1.1 Cc1cc(sn1)CO 1P01BEOL [0,1,0,0,1,0|2,0,0]=4 2825 B8R1.1 Cc1ccc(o1)CN 1P001CFL [0,1,0,0,1,0|2,0,0]=4 2826 B8R1.1 Cc1ccc(o1)CO 1P003NBO [0,1,0,0,1,0|2,0,0]=4 2827 B8R1.1 Cc1ccc(o1)CS 1P00EK7C [0,1,0,0,1,0|2,0,0]=4 2828 B8R1.1 Cc1ccc(s1)CBr 1P028X3V [0,1,0,0,1,0|2,0,0]=4 2829 B8R1.1 Cc1ccc(s1)CN 1P0085BO [0,1,0,0,1,0|2,0,0]=4 2830 B8R1.1 Cc1ccc(s1)CN 1P00AKVE [0,1,0,0,1,0|2,0,0]=4 2831 B8R1.1 Cc1ccc(s1)CO 1P00EGD8 [0,1,0,0,1,0|2,0,0]=4 2832 B8R1.1 Cc1cn(nc1)CCl 1P01FIOM [0,1,0,0,1,0|2,0,0]=4 2833 B8R1.1 Cc1cnc([nH]1)CO 1P002G9Q [0,1,0,0,1,0|1,0,1]=4 2834 B8R1.1 Cc1cnc(o1)CCl 1P019SFT [0,1,0,0,1,0|2,0,0]=4 2835 B8R1.1 Cc1cnc(o1)CN 1P00ILCU [0,1,0,0,1,0|2,0,0]=4 2836 B8R1.1 Cc1cnc(o1)CN 1P00VSR9 [0,1,0,0,1,0|2,0,0]=4 2837 B8R1.1 Cc1cnc(o1)CO 1P00VVV6 [0,1,0,0,1,0|2,0,0]=4 2838 B8R1.1 Cc1cnc(s1)CCl 1P00IHHK [0,1,0,0,1,0|2,0,0]=4 2839 B8R1.1 Cc1cnc(s1)CO 1P00290Z [0,1,0,0,1,0|2,0,0]=4 2840 B8R1.1 Cc1coc(n1)CCl 1P02848D [0,1,0,0,1,0|2,0,0]=4 2841 B8R1.1 Cc1coc(n1)CO 1P021U5B [0,1,0,0,1,0|2,0,0]=4 2842 B8R1.1 Cc1csc(n1)CCl 1P006UMP [0,1,0,0,1,0|2,0,0]=4 2843 B8R1.1 Cc1csc(n1)CCl 1P00J206 [0,1,0,0,1,0|2,0,0]=4 2844 B8R1.1 Cc1csc(n1)CN 1P000PRK [0,1,0,0,1,0|2,0,0]=4 2845 B8R1.1 Cc1csc(n1)CN 1P00DBWW [0,1,0,0,1,0|2,0,0]=4 2846 B8R1.1 Cc1csc(n1)CO 1P0013UH [0,1,0,0,1,0|2,0,0]=4 2847 B8R1.1 Cc1csc(n1)CO 1P00J22S [0,1,0,0,1,0|2,0,0]=4 2848 B8R1.1 Cc1nc([nH]n1)CCl 1P00J2XT [0,1,0,0,1,0|2,0,0]=4 2849 B8R1.1 Cc1nc([nH]n1)CN 1P009VYP [0,1,0,0,1,0|2,0,0]=4 2850 B8R1.1 Cc1nc([nH]n1)CO 1P00J2ZB [0,1,0,0,1,0|2,0,0]=4 2851 B8R1.1 Cc1nc([nH]n1)CO 1P00J3JE [0,1,0,0,1,0|2,0,0]=4 2852 B8R1.1 Cc1nc([nH]n1)CS 1P027ZKO [0,1,0,0,1,0|2,0,0]=4 2853 B8R1.1 Cc1nc(c[nH]1)CBr 1P02900O [0,1,0,0,1,0|1,0,1]=4 2854 B8R1.1 Cc1nc(c[nH]1)CCl 1P00ELGS [0,1,0,0,1,0|1,0,1]=4 2855 B8R1.1 Cc1nc(c[nH]1)CO 1P00DD57 [0,1,0,0,1,0|1,0,1]=4 2856 B8R1.1 Cc1nc(co1)CCl 1P009CKU [0,1,0,0,1,0|2,0,0]=4 2857 B8R1.1 Cc1nc(co1)CN 1P008SCE [0,1,0,0,1,0|2,0,0]=4 2858 B8R1.1 Cc1nc(co1)CN 1P021MU1 [0,1,0,0,1,0|2,0,0]=4 2859 B8R1.1 Cc1nc(co1)CO 1P007ZR0 [0,1,0,0,1,0|2,0,0]=4 2860 B8R1.1 Cc1nc(cs1)CBr 1P00FFU6 [0,1,0,0,1,0|2,0,0]=4 2861 B8R1.1 Cc1nc(cs1)CCl 1P0053U4 [0,1,0,0,1,0|2,0,0]=4 2862 B8R1.1 Cc1nc(cs1)CCl 1P00BZ6A [0,1,0,0,1,0|2,0,0]=4 2863 B8R1.1 Cc1nc(cs1)CN 1P007GCS [0,1,0,0,1,0|2,0,0]=4 2864 B8R1.1 Cc1nc(cs1)CN 1P00932L [0,1,0,0,1,0|2,0,0]=4 2865 B8R1.1 Cc1nc(cs1)CO 1P008QA9 [0,1,0,0,1,0|2,0,0]=4 2866 B8R1.1 Cc1nc(on1)CBr 1P00H4CB [0,1,0,0,1,0|2,0,0]=4 2867 B8R1.1 Cc1nc(on1)CCl 1P000ISU [0,1,0,0,1,0|2,0,0]=4 2868 B8R1.1 Cc1nc(on1)CN 1P00BHFT [0,1,0,0,1,0|2,0,0]=4 2869 B8R1.1 Cc1nc(on1)CO 1P0038S0 [0,1,0,0,1,0|2,0,0]=4 2870 B8R1.1 Cc1nc(on1)CS 1P0291EM [0,1,0,0,1,0|2,0,0]=4 2871 B8R1.1 Cc1nc(sn1)CBr 1P0280HG [0,1,0,0,1,0|2,0,0]=4 2872 B8R1.1 Cc1nc(sn1)CCl 1P01EM97 [0,1,0,0,1,0|2,0,0]=4 2873 B8R1.1 Cc1nc(sn1)CN 1P028HP8 [0,1,0,0,1,0|2,0,0]=4 2874 B8R1.1 Cc1nc(sn1)CO 1P01BHUW [0,1,0,0,1,0|2,0,0]=4 2875 B8R1.1 Cc1ncc(o1)CCl 1P000PRG [0,1,0,0,1,0|2,0,0]=4 2876 B8R1.1 Cc1ncc(o1)CCl 1P028AOH [0,1,0,0,1,0|2,0,0]=4 2877 B8R1.1 Cc1ncc(o1)CN 1P01C312 [0,1,0,0,1,0|2,0,0]=4 2878 B8R1.1 Cc1ncc(o1)CO 1P0092QJ [0,1,0,0,1,0|2,0,0]=4 2879 B8R1.1 Cc1ncc(o1)CS 1P01C9S1 [0,1,0,0,1,0|2,0,0]=4 2880 B8R1.1 Cc1ncc(s1)CBr 1P00IDSU [0,1,0,0,1,0|2,0,0]=4 2881 B8R1.1 Cc1ncc(s1)CBr 1P02939Y [0,1,0,0,1,0|2,0,0]=4 2882 B8R1.1 Cc1ncc(s1)CCl 1P00F69F [0,1,0,0,1,0|2,0,0]=4 2883 B8R1.1 Cc1ncc(s1)CCl 1P01BIY6 [0,1,0,0,1,0|2,0,0]=4 2884 B8R1.1 Cc1ncc(s1)CN 1P00ED8F [0,1,0,0,1,0|2,0,0]=4 2885 B8R1.1 Cc1ncc(s1)CN 1P00HBF4 [0,1,0,0,1,0|2,0,0]=4 2886 B8R1.1 Cc1ncc(s1)CO 1P00DJHY [0,1,0,0,1,0|2,0,0]=4 2887 B8R1.1 ClCc1cc(cs1)Br 1P00ACTT [0,1,0,0,1,0|2,0,0]=4 2888 B8R1.1 ClCc1cc(no1)Br 1P000MKV [0,1,0,0,1,0|2,0,0]=4 2889 B8R1.1 ClCc1ccc(s1)Br 1P019LJY [0,1,0,0,1,0|2,0,0]=4 2890 B8R1.1 ClCc1ccc(s1)Cl 1P003HF2 [0,1,0,0,1,0|2,0,0]=4 2891 B8R1.1 ClCc1cnc(s1)Cl 1P0033OW [0,1,0,0,1,0|2,0,0]=4 2892 B8R1.1 ClCc1cnn(c1)C 1P00ASFY [0,1,0,0,1,0|2,0,0]=4 2893 B8R1.1 ClCc1csc(c1)Br 1P019VXY [0,1,0,0,1,0|2,0,0]=4 2894 B8R1.1 ClCc1csc(c1)Cl 1P005JNT [0,1,0,0,1,0|2,0,0]=4 2895 B8R1.1 ClCc1csc(n1)Cl 1P00D8GW [0,1,0,0,1,0|2,0,0]=4 2896 B8R1.1 ClCc1nc(c[nH]1)Br 1P027Z1P [0,1,0,0,1,0|1,0,1]=4 2897 B8R1.1 ClCc1ncc(s1)Br 1P01BFYC [0,1,0,0,1,0|2,0,0]=4 2898 B8R1.1 ClCc1ncc(s1)Cl 1P01A6VP [0,1,0,0,1,0|2,0,0]=4 2899 B8R1.1 ClCc1ncn(n1)C 1P00805C [0,1,0,0,1,0|2,0,0]=4 2900 B8R1.1 ClCc1noc(n1)C 1P000ISV [0,1,0,0,1,0|2,0,0]=4 2901 B8R1.1 ClCc1noc(n1)N 1P028FVR [0,1,0,0,1,0|2,0,0]=4 2902 B8R1.1 ClCc1noc(n1)O 1P028KMH [0,1,0,0,1,0|2,0,0]=4 2903 B8R1.1 ClCc1nsc(n1)Cl 1P005Y4W [0,1,0,0,1,0|2,0,0]=4 2904 B8R1.1 ClCc1onc(c1)Cl 1P027UZM [0,1,0,0,1,0|2,0,0]=4 2905 B8R1.1 ClCc1scc(c1)Cl 1P023S65 [0,1,0,0,1,0|2,0,0]=4 2906 B8R1.1 ClCc1scc(n1)Cl 1P028XL3 [0,1,0,0,1,0|2,0,0]=4 2907 B8R1.1 ClCn1ncc(c1)Cl 1P005O5T [0,1,0,0,1,0|2,0,0]=4 2908 B8R1.1 ClCn1ncc(c1)Cl 1P01C640 [0,1,0,0,1,0|2,0,0]=4 2909 B8R1.1 Clc1cc(sc1)CBr 1P01EMCO [0,1,0,0,1,0|2,0,0]=4 2910 B8R1.1 Clc1ccc(s1)CBr 1P019RZ1 [0,1,0,0,1,0|2,0,0]=4 2911 B8R1.1 Clc1cnc(s1)CBr 1P027XOR [0,1,0,0,1,0|2,0,0]=4 2912 B8R1.1 Clc1nc(co1)CBr 1P00FGUZ [0,1,0,0,1,0|2,0,0]=4 2913 B8R1.1 Clc1ncc(s1)CBr 1P002LBR [0,1,0,0,1,0|2,0,0]=4 2914 B8R1.1 Cn1cc(nc1)CBr 1P01DWLT [0,1,0,0,1,0|1,0,1]=4 2915 B8R1.1 Cn1cc(nc1)CCl 1P003AIV [0,1,0,0,1,0|1,0,1]=4 2916 B8R1.1 Cn1cc(nc1)CN 1P001BKI [0,1,0,0,1,0|1,0,1]=4 2917 B8R1.1 Cn1cc(nc1)CN 1P006WSU [0,1,0,0,1,0|1,0,1]=4 2918 B8R1.1 Cn1cc(nc1)CO 1P007CRN [0,1,0,0,1,0|1,0,1]=4 2919 B8R1.1 Cn1ccc(n1)CBr 1P007YYV [0,1,0,0,1,0|2,0,0]=4 2920 B8R1.1 Cn1ccc(n1)CCl 1P004VXY [0,1,0,0,1,0|2,0,0]=4 2921 B8R1.1 Cn1ccc(n1)CCl 1P00GYEG [0,1,0,0,1,0|2,0,0]=4 2922 B8R1.1 Cn1ccc(n1)CN 1P0037JG [0,1,0,0,1,0|2,0,0]=4 2923 B8R1.1 Cn1ccc(n1)CN 1P008Y2B [0,1,0,0,1,0|2,0,0]=4 2924 B8R1.1 Cn1ccc(n1)CO 1P0036US [0,1,0,0,1,0|2,0,0]=4 2925 B8R1.1 Cn1ccc(n1)CS 1P0289RD [0,1,0,0,1,0|2,0,0]=4 2926 B8R1.1 Cn1nc(cn1)CBr 1P00H66O [0,1,0,0,1,0|2,0,0]=4 2927 B8R1.1 Cn1nc(cn1)CCl 1P01ALI6 [0,1,0,0,1,0|2,0,0]=4 2928 B8R1.1 Cn1nc(cn1)CN 1P01BBNH [0,1,0,0,1,0|2,0,0]=4 2929 B8R1.1 Cn1nc(cn1)CO 1P01BAN8 [0,1,0,0,1,0|2,0,0]=4 2930 B8R1.1 Cn1nc(cn1)CS 1P0292L5 [0,1,0,0,1,0|2,0,0]=4 2931 B8R1.1 NCc1[nH]cc(n1)C 1P00G8P1 [0,1,0,0,1,0|1,0,1]=4 2932 B8R1.1 NCc1[nH]nc(c1)C 1P00HBXH [0,1,0,0,1,0|2,0,0]=4 2933 B8R1.1 NCc1[nH]nc(n1)N 1P008UTS [0,1,0,0,1,0|2,0,0]=4 2934 B8R1.1 NCc1[nH]nc(n1)N 1P00I4OY [0,1,0,0,1,0|2,0,0]=4 2935 B8R1.1 NCc1cc([nH]n1)F 1P01JVER [0,1,0,0,1,0|2,0,0]=4 2936 B8R1.1 NCc1cc(c[nH]1)Br 1P019TPI [0,1,0,0,1,0|1,0,1]=4 2937 B8R1.1 NCc1cc(co1)Br 1P01KKNK [0,1,0,0,1,0|2,0,0]=4 2938 B8R1.1 NCc1cc(co1)Br 1P028RHQ [0,1,0,0,1,0|2,0,0]=4 2939 B8R1.1 NCc1cc(cs1)Br 1P000EAH [0,1,0,0,1,0|2,0,0]=4 2940 B8R1.1 NCc1cc(cs1)Br 1P00DEUQ [0,1,0,0,1,0|2,0,0]=4 2941 B8R1.1 NCc1cc(cs1)Cl 1P00C1R1 [0,1,0,0,1,0|2,0,0]=4 2942 B8R1.1 NCc1cc(cs1)F 1P028FQL [0,1,0,0,1,0|2,0,0]=4 2943 B8R1.1 NCc1cc(cs1)I 1P028BGB [0,1,0,0,1,0|2,0,0]=4 2944 B8R1.1 NCc1cc(no1)Br 1P002URC [0,1,0,0,1,0|2,0,0]=4 2945 B8R1.1 NCc1cc(no1)Br 1P00GVCJ [0,1,0,0,1,0|2,0,0]=4 2946 B8R1.1 NCc1cc(no1)Cl 1P028MR2 [0,1,0,0,1,0|2,0,0]=4 2947 B8R1.1 NCc1cc(sn1)Br 1P027U8V [0,1,0,0,1,0|2,0,0]=4 2948 B8R1.1 NCc1ccc(o1)Br 1P002T5R [0,1,0,0,1,0|2,0,0]=4 2949 B8R1.1 NCc1ccc(o1)Br 1P01AGAI [0,1,0,0,1,0|2,0,0]=4 2950 B8R1.1 NCc1ccc(o1)Cl 1P00BSTO [0,1,0,0,1,0|2,0,0]=4 2951 B8R1.1 NCc1ccc(s1)Br 1P0001JY [0,1,0,0,1,0|2,0,0]=4 2952 B8R1.1 NCc1ccc(s1)Br 1P00ECLH [0,1,0,0,1,0|2,0,0]=4 2953 B8R1.1 NCc1ccc(s1)Cl 1P007QUC [0,1,0,0,1,0|2,0,0]=4 2954 B8R1.1 NCc1ccc(s1)Cl 1P00DFJL [0,1,0,0,1,0|2,0,0]=4 2955 B8R1.1 NCc1ccc(s1)F 1P00CGEU [0,1,0,0,1,0|2,0,0]=4 2956 B8R1.1 NCc1ccc(s1)I 1P028DJT [0,1,0,0,1,0|2,0,0]=4 2957 B8R1.1 NCc1ccn(c1)C 1P002KA3 [0,1,0,0,1,0|1,0,1]=4 2958 B8R1.1 NCc1cnc(s1)Br 1P0001K3 [0,1,0,0,1,0|2,0,0]=4 2959 B8R1.1 NCc1cnc(s1)Br 1P00105E [0,1,0,0,1,0|2,0,0]=4 2960 B8R1.1 NCc1cnc(s1)Br 1P01B9CA [0,1,0,0,1,0|2,0,0]=4 2961 B8R1.1 NCc1cnc(s1)Cl 1P0036LR [0,1,0,0,1,0|2,0,0]=4 2962 B8R1.1 NCc1cnc(s1)Cl 1P00AKVT [0,1,0,0,1,0|2,0,0]=4 2963 B8R1.1 NCc1cnc(s1)N 1P01EKLE [0,1,0,0,1,0|2,0,0]=4 2964 B8R1.1 NCc1cnn(c1)C 1P00397N [0,1,0,0,1,0|2,0,0]=4 2965 B8R1.1 NCc1cnn(c1)C 1P007UMZ [0,1,0,0,1,0|2,0,0]=4 2966 B8R1.1 NCc1cnn(c1)C 1P00915K [0,1,0,0,1,0|2,0,0]=4 2967 B8R1.1 NCc1coc(c1)C 1P01E7IU [0,1,0,0,1,0|2,0,0]=4 2968 B8R1.1 NCc1coc(n1)Cl 1P01ANLV [0,1,0,0,1,0|2,0,0]=4 2969 B8R1.1 NCc1csc(c1)Br 1P0091TL [0,1,0,0,1,0|2,0,0]=4 2970 B8R1.1 NCc1csc(c1)Br 1P01A838 [0,1,0,0,1,0|2,0,0]=4 2971 B8R1.1 NCc1csc(c1)C 1P01APJ1 [0,1,0,0,1,0|2,0,0]=4 2972 B8R1.1 NCc1csc(c1)Cl 1P0099TB [0,1,0,0,1,0|2,0,0]=4 2973 B8R1.1 NCc1csc(n1)Br 1P027TAK [0,1,0,0,1,0|2,0,0]=4 2974 B8R1.1 NCc1csc(n1)C 1P00932M [0,1,0,0,1,0|2,0,0]=4 2975 B8R1.1 NCc1csc(n1)Cl 1P01K1JR [0,1,0,0,1,0|2,0,0]=4 2976 B8R1.1 NCc1csc(n1)N 1P00J1OY [0,1,0,0,1,0|2,0,0]=4 2977 B8R1.1 NCc1n[nH]c(n1)Br 1P0201AA [0,1,0,0,1,0|2,0,0]=4 2978 B8R1.1 NCc1n[nH]c(n1)C 1P009463 [0,1,0,0,1,0|2,0,0]=4 2979 B8R1.1 NCc1nc(cs1)Br 1P00FCIU [0,1,0,0,1,0|2,0,0]=4 2980 B8R1.1 NCc1nc(cs1)Br 1P00HG5X [0,1,0,0,1,0|2,0,0]=4 2981 B8R1.1 NCc1nc(cs1)Cl 1P023ODU [0,1,0,0,1,0|2,0,0]=4 2982 B8R1.1 NCc1ncc(s1)Br 1P001GXO [0,1,0,0,1,0|2,0,0]=4 2983 B8R1.1 NCc1ncc(s1)C 1P003FFM [0,1,0,0,1,0|2,0,0]=4 2984 B8R1.1 NCc1ncc(s1)Cl 1P00932P [0,1,0,0,1,0|2,0,0]=4 2985 B8R1.1 NCc1ncc(s1)Cl 1P00932Q [0,1,0,0,1,0|2,0,0]=4 2986 B8R1.1 NCc1ncc(s1)I 1P02806H [0,1,0,0,1,0|2,0,0]=4 2987 B8R1.1 NCc1ncn(c1)C 1P002311 [0,1,0,0,1,0|1,0,1]=4 2988 B8R1.1 NCc1ncn(n1)C 1P00IL7B [0,1,0,0,1,0|2,0,0]=4 2989 B8R1.1 NCc1noc(n1)C 1P009122 [0,1,0,0,1,0|2,0,0]=4 2990 B8R1.1 NCc1nsc(n1)Cl 1P0282SK [0,1,0,0,1,0|2,0,0]=4 2991 B8R1.1 NCc1nsc(n1)N 1P028SJQ [0,1,0,0,1,0|2,0,0]=4 2992 B8R1.1 NCc1occ(n1)C 1P027X5U [0,1,0,0,1,0|2,0,0]=4 2993 B8R1.1 NCc1onc(c1)N 1P028C3Y [0,1,0,0,1,0|2,0,0]=4 2994 B8R1.1 NCc1scc(n1)Br 1P0282HW [0,1,0,0,1,0|2,0,0]=4 2995 B8R1.1 NCc1scc(n1)C 1P00J3IM [0,1,0,0,1,0|2,0,0]=4 2996 B8R1.1 NCc1snc(c1)O 1P027VX8 [0,1,0,0,1,0|2,0,0]=4 2997 B8R1.1 Nc1cc(n[nH]1)CO 1P0001CO [0,1,0,0,1,0|2,0,0]=4 2998 B8R1.1 Nc1nc(co1)CO 1P002FN9 [0,1,0,0,1,0|2,0,0]=4 2999 B8R1.1 Nc1nc(cs1)CCl 1P00EA56 [0,1,0,0,1,0|2,0,0]=4 3000 B8R1.1 Nc1nc(cs1)CCl 1P00FBF3 [0,1,0,0,1,0|2,0,0]=4 3001 B8R1.1 Nc1nc(cs1)CF 1P01BKUC [0,1,0,0,1,0|2,0,0]=4 3002 B8R1.1 Nc1nc(cs1)CO 1P00DEM1 [0,1,0,0,1,0|2,0,0]=4 3003 B8R1.1 Nc1nc(cs1)CO 1P01BBKH [0,1,0,0,1,0|2,0,0]=4 3004 B8R1.1 Nc1ncc(s1)CO 1P000W4R [0,1,0,0,1,0|2,0,0]=4 3005 B8R1.1 OCc1c[nH]c(n1)Cl 1P028MZ5 [0,1,0,0,1,0|1,0,1]=4 3006 B8R1.1 OCc1cc([nH]n1)Br 1P00ILHX [0,1,0,0,1,0|2,0,0]=4 3007 B8R1.1 OCc1cc([nH]n1)Br 1P01K847 [0,1,0,0,1,0|2,0,0]=4 3008 B8R1.1 OCc1cc([nH]n1)Cl 1P021VQZ [0,1,0,0,1,0|2,0,0]=4 3009 B8R1.1 OCc1cc(co1)Cl 1P01EMTV [0,1,0,0,1,0|2,0,0]=4 3010 B8R1.1 OCc1cc(cs1)Br 1P003CBD [0,1,0,0,1,0|2,0,0]=4 3011 B8R1.1 OCc1cc(cs1)Cl 1P002NC1 [0,1,0,0,1,0|2,0,0]=4 3012 B8R1.1 OCc1cc(no1)Br 1P00BD12 [0,1,0,0,1,0|2,0,0]=4 3013 B8R1.1 OCc1cc(no1)Cl 1P007FWF [0,1,0,0,1,0|2,0,0]=4 3014 B8R1.1 OCc1ccc(o1)Br 1P00BGK4 [0,1,0,0,1,0|2,0,0]=4 3015 B8R1.1 OCc1ccc(s1)Br 1P0052HU [0,1,0,0,1,0|2,0,0]=4 3016 B8R1.1 OCc1ccc(s1)Cl 1P00FB5R [0,1,0,0,1,0|2,0,0]=4 3017 B8R1.1 OCc1ccc(s1)F 1P008JHJ [0,1,0,0,1,0|2,0,0]=4 3018 B8R1.1 OCc1ccn(c1)C 1P00FHGX [0,1,0,0,1,0|1,0,1]=4 3019 B8R1.1 OCc1cnc([nH]1)Br 1P028M54 [0,1,0,0,1,0|1,0,1]=4 3020 B8R1.1 OCc1cnc(o1)Br 1P0095BO [0,1,0,0,1,0|2,0,0]=4 3021 B8R1.1 OCc1cnc(o1)N 1P01FJXQ [0,1,0,0,1,0|2,0,0]=4 3022 B8R1.1 OCc1cnc(s1)Br 1P006HSF [0,1,0,0,1,0|2,0,0]=4 3023 B8R1.1 OCc1cnc(s1)Cl 1P001KY7 [0,1,0,0,1,0|2,0,0]=4 3024 B8R1.1 OCc1cnn(c1)C 1P008UP9 [0,1,0,0,1,0|2,0,0]=4 3025 B8R1.1 OCc1coc(c1)C 1P01ACSN [0,1,0,0,1,0|2,0,0]=4 3026 B8R1.1 OCc1coc(n1)Br 1P008V6W [0,1,0,0,1,0|2,0,0]=4 3027 B8R1.1 OCc1csc(c1)Br 1P00ICX6 [0,1,0,0,1,0|2,0,0]=4 3028 B8R1.1 OCc1csc(c1)C 1P00CG87 [0,1,0,0,1,0|2,0,0]=4 3029 B8R1.1 OCc1csc(c1)Cl 1P005B17 [0,1,0,0,1,0|2,0,0]=4 3030 B8R1.1 OCc1csc(n1)Br 1P00DEFQ [0,1,0,0,1,0|2,0,0]=4 3031 B8R1.1 OCc1csc(n1)Br 1P00J2FF [0,1,0,0,1,0|2,0,0]=4 3032 B8R1.1 OCc1csc(n1)Cl 1P00DJHX [0,1,0,0,1,0|2,0,0]=4 3033 B8R1.1 OCc1csc(n1)F 1P00B931 [0,1,0,0,1,0|2,0,0]=4 3034 B8R1.1 OCc1n[nH]c(c1)O 1P00FC7F [0,1,0,0,1,0|2,0,0]=4 3035 B8R1.1 OCc1n[nH]c(n1)N 1P00C2H7 [0,1,0,0,1,0|2,0,0]=4 3036 B8R1.1 OCc1nc(c[nH]1)Br 1P01BCBB [0,1,0,0,1,0|1,0,1]=4 3037 B8R1.1 OCc1nc(cs1)Br 1P002A0S [0,1,0,0,1,0|2,0,0]=4 3038 B8R1.1 OCc1nc(n[nH]1)Br 1P00C2NX [0,1,0,0,1,0|2,0,0]=4 3039 B8R1.1 OCc1nc(n[nH]1)Br 1P00J3HI [0,1,0,0,1,0|2,0,0]=4 3040 B8R1.1 OCc1nc(no1)Br 1P028FDR [0,1,0,0,1,0|2,0,0]=4 3041 B8R1.1 OCc1ncc(s1)Br 1P00H1FC [0,1,0,0,1,0|2,0,0]=4 3042 B8R1.1 OCc1ncc(s1)Cl 1P00I9IK [0,1,0,0,1,0|2,0,0]=4 3043 B8R1.1 OCc1ncn(n1)C 1P0039EJ [0,1,0,0,1,0|2,0,0]=4 3044 B8R1.1 OCc1noc(n1)C 1P002RPW [0,1,0,0,1,0|2,0,0]=4 3045 B8R1.1 OCc1nsc(n1)Br 1P0284ZT [0,1,0,0,1,0|2,0,0]=4 3046 B8R1.1 OCn1cc(cn1)Br 1P00JFNT [0,1,0,0,1,0|2,0,0]=4 3047 B8R1.1 OCn1cc(cn1)Cl 1P005CYK [0,1,0,0,1,0|2,0,0]=4 3048 B8R1.1 SCc1cc(cs1)Br 1P0280AT [0,1,0,0,1,0|2,0,0]=4 3049 B8R1.1 SCc1cc(no1)Br 1P028ZLF [0,1,0,0,1,0|2,0,0]=4 3050 B8R1.1 SCc1ccc(o1)Cl 1P01EJ9A [0,1,0,0,1,0|2,0,0]=4 3051 B8R1.1 SCc1ccc(s1)Br 1P0280GR [0,1,0,0,1,0|2,0,0]=4 3052 B8R1.1 SCc1ccc(s1)Cl 1P01IYEN [0,1,0,0,1,0|2,0,0]=4 3053 B8R1.1 SCc1cnc(s1)Cl 1P01FFB6 [0,1,0,0,1,0|2,0,0]=4 3054 B8R1.1 SCc1cnn(c1)C 1P01C6ZV [0,1,0,0,1,0|2,0,0]=4 3055 B8R1.1 SCc1csc(c1)C 1P0291R6 [0,1,0,0,1,0|2,0,0]=4 3056 B8R1.1 SCc1noc(n1)C 1P02804A [0,1,0,0,1,0|2,0,0]=4 3057 B8R1.7 CC(=C)c1ccco1 1P01DDLR [0,1,0,0,1,0|1,0,1]=4 3058 B8R1.7 CC(=C1C=CC=C1)O 1P006CQI [0,1,0,0,1,0|1,0,1]=4 3059 B8R1.7 CC(=O)c1c[nH]cc1 1P0039FK [0,1,0,0,1,0|0,0,2]=4 3060 B8R1.7 CC(=O)c1c[nH]cn1 1P00EB8A [0,1,0,0,1,0|0,0,2]=4 3061 B8R1.7 CC(=O)c1c[nH]nc1 1P002QO6 [0,1,0,0,1,0|1,0,1]=4 3062 B8R1.7 CC(=O)c1c[nH]nc1 1P01BHYR [0,1,0,0,1,0|1,0,1]=4 3063 B8R1.7 CC(=O)c1ccc[nH]1 1P003GRE [0,1,0,0,1,0|0,0,2]=4 3064 B8R1.7 CC(=O)c1ccco1 1P000IT2 [0,1,0,0,1,0|1,0,1]=4 3065 B8R1.7 CC(=O)c1cccs1 1P0035MZ [0,1,0,0,1,0|1,0,1]=4 3066 B8R1.7 CC(=O)c1ccn[nH]1 1P00APO8 [0,1,0,0,1,0|1,0,1]=4 3067 B8R1.7 CC(=O)c1ccn[nH]1 1P00BGL1 [0,1,0,0,1,0|1,0,1]=4 3068 B8R1.7 CC(=O)c1ccno1 1P0049B3 [0,1,0,0,1,0|1,0,1]=4 3069 B8R1.7 CC(=O)c1ccns1 1P00C067 [0,1,0,0,1,0|1,0,1]=4 3070 B8R1.7 CC(=O)c1ccon1 1P00490X [0,1,0,0,1,0|1,0,1]=4 3071 B8R1.7 CC(=O)c1ccsn1 1P00H14V [0,1,0,0,1,0|1,0,1]=4 3072 B8R1.7 CC(=O)c1cnco1 1P009KIG [0,1,0,0,1,0|1,0,1]=4 3073 B8R1.7 CC(=O)c1cncs1 1P00GT31 [0,1,0,0,1,0|1,0,1]=4 3074 B8R1.7 CC(=O)c1cocc1 1P009E7F [0,1,0,0,1,0|1,0,1]=4 3075 B8R1.7 CC(=O)c1cocn1 1P00H3H6 [0,1,0,0,1,0|1,0,1]=4 3076 B8R1.7 CC(=O)c1cscc1 1P001ETA [0,1,0,0,1,0|1,0,1]=4 3077 B8R1.7 CC(=O)c1cscn1 1P007BLA [0,1,0,0,1,0|1,0,1]=4 3078 B8R1.7 CC(=O)c1ncc[nH]1 1P00D9MM [0,1,0,0,1,0|0,0,2]=4 3079 B8R1.7 CC(=O)c1ncc[nH]1 1P01BDZZ [0,1,0,0,1,0|0,0,2]=4 3080 B8R1.7 CC(=O)c1ncco1 1P005DFY [0,1,0,0,1,0|1,0,1]=4 3081 B8R1.7 CC(=O)c1nccs1 1P003D8V [0,1,0,0,1,0|1,0,1]=4 3082 B8R1.7 CC(=O)n1cccn1 1P0006NK [0,1,0,0,1,0|1,0,1]=4 3083 B8R1.7 CC(=O)n1cncc1 1P002PG2 [0,1,0,0,1,0|1,0,1]=4 3084 B8R1.7 CC(=O)n1cncn1 1P001P3G [0,1,0,0,1,0|1,0,1]=4 3085 B8R1.7 CC(C1=[C-]CC=C1)C 1P003VP2 [0,1,0,0,1,0|1,0,1]=4 3086 B8R1.7 CC([C-]1C=CC=C1)O 1P000XSK [0,1,0,0,1,0|1,0,1]=4 3087 B8R1.7 CC(c1[nH]cnc1)N 1P01K4D3 [0,1,0,0,1,0|0,0,1]=3 3088 B8R1.7 CC(c1c[nH]cc1)N 1P01A4UJ [0,1,0,0,1,0|0,0,1]=3 3089 B8R1.7 CC(c1c[nH]nc1)C 1P0013YN [0,1,0,0,1,0|1,0,0]=3 3090 B8R1.7 CC(c1c[nH]nc1)C 1P00J2T0 [0,1,0,0,1,0|1,0,0]=3 3091 B8R1.7 CC(c1c[nH]nc1)N 1P01A3A5 [0,1,0,0,1,0|1,0,0]=3 3092 B8R1.7 CC(c1c[nH]nc1)N 1P01AF15 [0,1,0,0,1,0|1,0,0]=3 3093 B8R1.7 CC(c1c[nH]nc1)N 1P028UUT [0,1,0,0,1,0|1,0,0]=3 3094 B8R1.7 CC(c1c[nH]nc1)O 1P02047V [0,1,0,0,1,0|1,0,0]=3 3095 B8R1.7 CC(c1c[nH]nn1)N 1P028LO3 [0,1,0,0,1,0|1,0,1]=4 3096 B8R1.7 CC(c1cc[nH]n1)C 1P003K2S [0,1,0,0,1,0|1,0,0]=3 3097 B8R1.7 CC(c1cc[nH]n1)N 1P0092LE [0,1,0,0,1,0|1,0,0]=3 3098 B8R1.7 CC(c1cc[nH]n1)N 1P00AO49 [0,1,0,0,1,0|1,0,0]=3 3099 B8R1.7 CC(c1cc[nH]n1)O 1P00BU24 [0,1,0,0,1,0|1,0,0]=3 3100 B8R1.7 CC(c1ccc[nH]1)N 1P01A3OU [0,1,0,0,1,0|0,0,1]=3 3101 B8R1.7 CC(c1ccco1)C 1P003HYG [0,1,0,0,1,0|1,0,0]=3 3102 B8R1.7 CC(c1ccco1)N 1P00BDMZ [0,1,0,0,1,0|1,0,0]=3 3103 B8R1.7 CC(c1ccco1)N 1P019N05 [0,1,0,0,1,0|1,0,0]=3 3104 B8R1.7 CC(c1ccco1)O 1P00I8MZ [0,1,0,0,1,0|1,0,0]=3 3105 B8R1.7 CC(c1ccco1)S 1P01A8IC [0,1,0,0,1,0|1,0,0]=3 3106 B8R1.7 CC(c1cccs1)N 1P0032QU [0,1,0,0,1,0|1,0,0]=3 3107 B8R1.7 CC(c1cccs1)N 1P00ATK3 [0,1,0,0,1,0|1,0,0]=3 3108 B8R1.7 CC(c1cccs1)O 1P002MMU [0,1,0,0,1,0|1,0,0]=3 3109 B8R1.7 CC(c1cccs1)S 1P01AKH2 [0,1,0,0,1,0|1,0,0]=3 3110 B8R1.7 CC(c1ccno1)O 1P0289RW [0,1,0,0,1,0|1,0,0]=3 3111 B8R1.7 CC(c1ccns1)N 1P01BY3O [0,1,0,0,1,0|1,0,0]=3 3112 B8R1.7 CC(c1ccns1)N 1P01BY4V [0,1,0,0,1,0|1,0,0]=3 3113 B8R1.7 CC(c1ccon1)N 1P01A3YI [0,1,0,0,1,0|1,0,0]=3 3114 B8R1.7 CC(c1ccon1)N 1P01AF6D [0,1,0,0,1,0|1,0,0]=3 3115 B8R1.7 CC(c1cnc[nH]1)O 1P00EG08 [0,1,0,0,1,0|0,0,1]=3 3116 B8R1.7 CC(c1cnco1)O 1P028HP9 [0,1,0,0,1,0|1,0,0]=3 3117 B8R1.7 CC(c1cncs1)N 1P0099H5 [0,1,0,0,1,0|1,0,0]=3 3118 B8R1.7 CC(c1cncs1)N 1P01EII7 [0,1,0,0,1,0|1,0,0]=3 3119 B8R1.7 CC(c1cncs1)O 1P00D74H [0,1,0,0,1,0|1,0,0]=3 3120 B8R1.7 CC(c1cocc1)N 1P00BDB1 [0,1,0,0,1,0|1,0,0]=3 3121 B8R1.7 CC(c1cocc1)N 1P01A1FQ [0,1,0,0,1,0|1,0,0]=3 3122 B8R1.7 CC(c1cocc1)S 1P0291JO [0,1,0,0,1,0|1,0,0]=3 3123 B8R1.7 CC(c1cocn1)N 1P0286V2 [0,1,0,0,1,0|1,0,0]=3 3124 B8R1.7 CC(c1cocn1)O 1P020N34 [0,1,0,0,1,0|1,0,0]=3 3125 B8R1.7 CC(c1cscc1)N 1P008U4D [0,1,0,0,1,0|1,0,0]=3 3126 B8R1.7 CC(c1cscc1)O 1P00AT04 [0,1,0,0,1,0|1,0,0]=3 3127 B8R1.7 CC(c1cscn1)N 1P0089QY [0,1,0,0,1,0|1,0,0]=3 3128 B8R1.7 CC(c1cscn1)O 1P01A4T6 [0,1,0,0,1,0|1,0,0]=3 3129 B8R1.7 CC(c1csnc1)N 1P027Z0S [0,1,0,0,1,0|1,0,0]=3 3130 B8R1.7 CC(c1csnn1)Cl 1P01C2E8 [0,1,0,0,1,0|2,0,0]=4 3131 B8R1.7 CC(c1csnn1)N 1P01C3BU [0,1,0,0,1,0|2,0,0]=4 3132 B8R1.7 CC(c1csnn1)N 1P01C3BV [0,1,0,0,1,0|2,0,0]=4 3133 B8R1.7 CC(c1csnn1)O 1P01C2BZ [0,1,0,0,1,0|2,0,0]=4 3134 B8R1.7 CC(c1n[nH]cn1)N 1P00J1AD [0,1,0,0,1,0|1,0,0]=3 3135 B8R1.7 CC(c1n[nH]cn1)N 1P01A4D1 [0,1,0,0,1,0|1,0,0]=3 3136 B8R1.7 CC(c1n[nH]nn1)N 1P007J1O [0,1,0,0,1,0|2,0,0]=4 3137 B8R1.7 CC(c1n[nH]nn1)N 1P027Z2D [0,1,0,0,1,0|2,0,0]=4 3138 B8R1.7 CC(c1nc[nH]c1)C 1P003M28 [0,1,0,0,1,0|0,0,1]=3 3139 B8R1.7 CC(c1nc[nH]c1)N 1P00HSY9 [0,1,0,0,1,0|0,0,1]=3 3140 B8R1.7 CC(c1ncc[nH]1)C 1P003BPB [0,1,0,0,1,0|0,0,1]=3 3141 B8R1.7 CC(c1ncc[nH]1)N 1P00J2U6 [0,1,0,0,1,0|0,0,1]=3 3142 B8R1.7 CC(c1ncc[nH]1)O 1P00C3YX [0,1,0,0,1,0|0,0,1]=3 3143 B8R1.7 CC(c1ncc[nH]1)O 1P028EA4 [0,1,0,0,1,0|0,0,1]=3 3144 B8R1.7 CC(c1ncco1)Br 1P0285HD [0,1,0,0,1,0|1,0,0]=3 3145 B8R1.7 CC(c1ncco1)Cl 1P028AQQ [0,1,0,0,1,0|1,0,0]=3 3146 B8R1.7 CC(c1ncco1)N 1P00HBMP [0,1,0,0,1,0|1,0,0]=3 3147 B8R1.7 CC(c1ncco1)N 1P01BDX7 [0,1,0,0,1,0|1,0,0]=3 3148 B8R1.7 CC(c1nccs1)Br 1P01A5LH [0,1,0,0,1,0|1,0,0]=3 3149 B8R1.7 CC(c1nccs1)Br 1P01DWD9 [0,1,0,0,1,0|1,0,0]=3 3150 B8R1.7 CC(c1nccs1)Cl 1P00CJVM [0,1,0,0,1,0|1,0,0]=3 3151 B8R1.7 CC(c1nccs1)N 1P003DCD [0,1,0,0,1,0|1,0,0]=3 3152 B8R1.7 CC(c1nccs1)N 1P003DCE [0,1,0,0,1,0|1,0,0]=3 3153 B8R1.7 CC(c1nccs1)O 1P00CJVD [0,1,0,0,1,0|1,0,0]=3 3154 B8R1.7 CC(c1ncn[nH]1)C 1P00C2M9 [0,1,0,0,1,0|1,0,0]=3 3155 B8R1.7 CC(c1ncno1)Cl 1P019SJY [0,1,0,0,1,0|1,0,0]=3 3156 B8R1.7 CC(c1nnc[nH]1)Cl 1P01FINR [0,1,0,0,1,0|1,0,1]=4 3157 B8R1.7 CC(c1nnc[nH]1)O 1P01B7V4 [0,1,0,0,1,0|1,0,1]=4 3158 B8R1.7 CC(c1nnco1)Cl 1P028B33 [0,1,0,0,1,0|2,0,0]=4 3159 B8R1.7 CC(c1nnco1)N 1P00KCOG [0,1,0,0,1,0|2,0,0]=4 3160 B8R1.7 CC(c1nncs1)N 1P028YEU [0,1,0,0,1,0|2,0,0]=4 3161 B8R1.7 CC(c1nnn[nH]1)C 1P00EA2S [0,1,0,0,1,0|2,0,0]=4 3162 B8R1.7 CC(c1nnn[nH]1)N 1P00J1YF [0,1,0,0,1,0|2,0,0]=4 3163 B8R1.7 CC(c1nocn1)N 1P018SD1 [0,1,0,0,1,0|1,0,0]=3 3164 B8R1.7 CC(c1ocnc1)C 1P01E7KI [0,1,0,0,1,0|1,0,0]=3 3165 B8R1.7 CC(c1ocnc1)N 1P01EIHC [0,1,0,0,1,0|1,0,0]=3 3166 B8R1.7 CC(c1ocnn1)C 1P001M1E [0,1,0,0,1,0|2,0,0]=4 3167 B8R1.7 CC(c1scnc1)C 1P001WUZ [0,1,0,0,1,0|1,0,0]=3 3168 B8R1.7 CC(c1scnc1)N 1P024UN9 [0,1,0,0,1,0|1,0,0]=3 3169 B8R1.7 CC(n1cccn1)C 1P002E7T [0,1,0,0,1,0|1,0,0]=3 3170 B8R1.7 CC(n1ccnn1)C 1P006XQF [0,1,0,0,1,0|2,0,0]=4 3171 B8R1.7 CC(n1cncc1)C 1P003397 [0,1,0,0,1,0|1,0,0]=3 3172 B8R1.7 CC(n1cnnc1)C 1P002OOY [0,1,0,0,1,0|2,0,0]=4 3173 B8R1.7 CC(n1nccn1)C 1P028VJ0 [0,1,0,0,1,0|1,0,0]=3 3174 B8R1.7 CC(n1ncnc1)C 1P00EK8B [0,1,0,0,1,0|1,0,0]=3 3175 B8R1.7 CN(c1c[nH]nc1)C 1P028RIJ [0,1,0,0,1,0|2,0,0]=4 3176 B8R1.7 CN(c1nccs1)C 1P00ELP1 [0,1,0,0,1,0|2,0,0]=4 3177 B8R1.7 C[C@@H](c1c[nH]cn1)O 1P028MGD [0,1,0,0,1,0|0,0,1]=3 3178 B8R1.7 C[C@@H](c1c[nH]nn1)N 1P0289A2 [0,1,0,0,1,0|1,0,1]=4 3179 B8R1.7 C[C@@H](c1cc[nH]n1)O 1P01B885 [0,1,0,0,1,0|1,0,0]=3 3180 B8R1.7 C[C@@H](c1ccco1)O 1P0079X7 [0,1,0,0,1,0|1,0,0]=3 3181 B8R1.7 C[C@@H](c1cccs1)N 1P000V48 [0,1,0,0,1,0|1,0,0]=3 3182 B8R1.7 C[C@@H](c1cccs1)N 1P00BJRY [0,1,0,0,1,0|1,0,0]=3 3183 B8R1.7 C[C@@H](c1cccs1)O 1P00BC2M [0,1,0,0,1,0|1,0,0]=3 3184 B8R1.7 C[C@@H](c1ccns1)O 1P027Z4B [0,1,0,0,1,0|1,0,0]=3 3185 B8R1.7 C[C@@H](c1cncs1)O 1P01A5H7 [0,1,0,0,1,0|1,0,0]=3 3186 B8R1.7 C[C@@H](c1cncs1)O 1P01AJLF [0,1,0,0,1,0|1,0,0]=3 3187 B8R1.7 C[C@@H](c1cocc1)N 1P01KKHI [0,1,0,0,1,0|1,0,0]=3 3188 B8R1.7 C[C@@H](c1cocc1)O 1P019ZQQ [0,1,0,0,1,0|1,0,0]=3 3189 B8R1.7 C[C@@H](c1cscc1)N 1P00ASPZ [0,1,0,0,1,0|1,0,0]=3 3190 B8R1.7 C[C@@H](c1cscc1)N 1P029045 [0,1,0,0,1,0|1,0,0]=3 3191 B8R1.7 C[C@@H](c1cscn1)O 1P0283B6 [0,1,0,0,1,0|1,0,0]=3 3192 B8R1.7 C[C@@H](c1n[nH]cn1)N 1P028JN6 [0,1,0,0,1,0|1,0,0]=3 3193 B8R1.7 C[C@@H](c1n[nH]cn1)O 1P028LLR [0,1,0,0,1,0|1,0,0]=3 3194 B8R1.7 C[C@@H](c1ncc[nH]1)N 1P01ALS4 [0,1,0,0,1,0|0,0,1]=3 3195 B8R1.7 C[C@@H](c1nccs1)N 1P01KKJR [0,1,0,0,1,0|1,0,0]=3 3196 B8R1.7 C[C@@H](c1nccs1)O 1P009TDD [0,1,0,0,1,0|1,0,0]=3 3197 B8R1.7 C[C@@H](c1ncsc1)N 1P01K4C3 [0,1,0,0,1,0|1,0,0]=3 3198 B8R1.7 C[C@@H](c1scnc1)N 1P01AGG1 [0,1,0,0,1,0|1,0,0]=3 3199 B8R1.7 C[C@H](c1[nH]cnn1)N 1P028KX1 [0,1,0,0,1,0|1,0,1]=4 3200 B8R1.7 C[C@H](c1c[nH]cn1)O 1P028G39 [0,1,0,0,1,0|0,0,1]=3 3201 B8R1.7 C[C@H](c1cc[nH]n1)O 1P01B884 [0,1,0,0,1,0|1,0,0]=3 3202 B8R1.7 C[C@H](c1ccco1)N 1P01JV6O [0,1,0,0,1,0|1,0,0]=3 3203 B8R1.7 C[C@H](c1ccco1)O 1P00IN2M [0,1,0,0,1,0|1,0,0]=3 3204 B8R1.7 C[C@H](c1cccs1)N 1P00BJSF [0,1,0,0,1,0|1,0,0]=3 3205 B8R1.7 C[C@H](c1cccs1)N 1P01JV6J [0,1,0,0,1,0|1,0,0]=3 3206 B8R1.7 C[C@H](c1cccs1)O 1P003BWH [0,1,0,0,1,0|1,0,0]=3 3207 B8R1.7 C[C@H](c1ccns1)O 1P027YNI [0,1,0,0,1,0|1,0,0]=3 3208 B8R1.7 C[C@H](c1cncs1)O 1P01AJLG [0,1,0,0,1,0|1,0,0]=3 3209 B8R1.7 C[C@H](c1cocc1)N 1P028M77 [0,1,0,0,1,0|1,0,0]=3 3210 B8R1.7 C[C@H](c1cocc1)O 1P019ZUH [0,1,0,0,1,0|1,0,0]=3 3211 B8R1.7 C[C@H](c1cscc1)N 1P028ZD0 [0,1,0,0,1,0|1,0,0]=3 3212 B8R1.7 C[C@H](c1cscn1)O 1P0282TD [0,1,0,0,1,0|1,0,0]=3 3213 B8R1.7 C[C@H](c1n[nH]cn1)O 1P028GOM [0,1,0,0,1,0|1,0,0]=3 3214 B8R1.7 C[C@H](c1ncc[nH]1)N 1P01AM7T [0,1,0,0,1,0|0,0,1]=3 3215 B8R1.7 C[C@H](c1nccs1)N 1P00IN44 [0,1,0,0,1,0|1,0,0]=3 3216 B8R1.7 C[C@H](c1nccs1)O 1P00A93S [0,1,0,0,1,0|1,0,0]=3 3217 B8R1.7 C[C@H](c1ncsc1)N 1P01K4RV [0,1,0,0,1,0|1,0,0]=3 3218 B8R1.7 C[C@H](c1scnc1)N 1P01A5OR [0,1,0,0,1,0|1,0,0]=3 3219 B8R1.7 FC(c1c[nH]nc1)F 1P009YTT [0,1,0,0,1,0|2,0,0]=4 3220 B8R1.7 FC(c1cc[nH]n1)F 1P00923N [0,1,0,0,1,0|2,0,0]=4 3221 B8R1.7 FC(c1cc[nH]n1)F 1P02813S [0,1,0,0,1,0|2,0,0]=4 3222 B8R1.7 FC(c1nc[nH]c1)F 1P01A39E [0,1,0,0,1,0|1,0,1]=4 3223 B8R1.7 FC(c1ncc[nH]1)F 1P028VUI [0,1,0,0,1,0|1,0,1]=4 3224 B8R1.7 FC(c1nccs1)F 1P01FLBR [0,1,0,0,1,0|2,0,0]=4 3225 B8R1.7 FC(n1cccn1)F 1P00IGRC [0,1,0,0,1,0|2,0,0]=4 3226 B8R1.7 FC(n1cncc1)F 1P01EZI7 [0,1,0,0,1,0|2,0,0]=4 3227 B8R1.7 FC(n1ncnc1)F 1P01C4MX [0,1,0,0,1,0|2,0,0]=4 3228 B8R1.8 BrCCc1c[nH]nc1 1P01AVGB [0,1,0,0,1,0|1,0,0]=3 3229 B8R1.8 BrCCc1cccs1 1P002TU6 [0,1,0,0,1,0|1,0,0]=3 3230 B8R1.8 BrCCc1ccns1 1P01BJ4U [0,1,0,0,1,0|1,0,0]=3 3231 B8R1.8 BrCCc1ccon1 1P027ZTK [0,1,0,0,1,0|1,0,0]=3 3232 B8R1.8 BrCCc1cnco1 1P024SG9 [0,1,0,0,1,0|1,0,0]=3 3233 B8R1.8 BrCCc1cncs1 1P01BBZH [0,1,0,0,1,0|1,0,0]=3 3234 B8R1.8 BrCCc1conc1 1P01C1RD [0,1,0,0,1,0|1,0,0]=3 3235 B8R1.8 BrCCc1cscc1 1P00EEU2 [0,1,0,0,1,0|1,0,0]=3 3236 B8R1.8 BrCCc1cscn1 1P01FIOL [0,1,0,0,1,0|1,0,0]=3 3237 B8R1.8 BrCCc1ncco1 1P027XM1 [0,1,0,0,1,0|1,0,0]=3 3238 B8R1.8 BrCCn1cccc1 1P003DA3 [0,1,0,0,1,0|2,0,0]=4 3239 B8R1.8 BrCCn1cccn1 1P000IZ7 [0,1,0,0,1,0|1,0,0]=3 3240 B8R1.8 BrCCn1cccn1 1P01C29K [0,1,0,0,1,0|1,0,0]=3 3241 B8R1.8 BrCCn1ccnn1 1P00HBLT [0,1,0,0,1,0|2,0,0]=4 3242 B8R1.8 BrCCn1cncc1 1P00J1QP [0,1,0,0,1,0|1,0,0]=3 3243 B8R1.8 BrCCn1cncn1 1P00IDEF [0,1,0,0,1,0|1,0,0]=3 3244 B8R1.8 BrCCn1cncn1 1P00J1QC [0,1,0,0,1,0|1,0,0]=3 3245 B8R1.8 BrCCn1cnnc1 1P00J37R [0,1,0,0,1,0|2,0,0]=4 3246 B8R1.8 BrCCn1nccn1 1P000S1W [0,1,0,0,1,0|1,0,0]=3 3247 B8R1.8 C#CCn1cccn1 1P00735X [0,1,0,0,1,0|1,0,1]=4 3248 B8R1.8 C#CCn1cncc1 1P01ABZV [0,1,0,0,1,0|1,0,1]=4 3249 B8R1.8 C(c1cc[nH]n1)C#N 1P009CGM [0,1,0,0,1,0|1,0,1]=4 3250 B8R1.8 C(c1ccno1)C#N 1P00G5QL [0,1,0,0,1,0|1,0,1]=4 3251 B8R1.8 C(c1ccon1)C#N 1P00DJRN [0,1,0,0,1,0|1,0,1]=4 3252 B8R1.8 C(c1ccsn1)C#N 1P001ID3 [0,1,0,0,1,0|1,0,1]=4 3253 B8R1.8 C(c1cnc[nH]1)C#N 1P00383M [0,1,0,0,1,0|0,0,2]=4 3254 B8R1.8 C(c1cncs1)C#N 1P00DJRR [0,1,0,0,1,0|1,0,1]=4 3255 B8R1.8 C(c1cnsn1)C#N 1P01B2WC [0,1,0,0,1,0|1,0,1]=4 3256 B8R1.8 C(c1cocn1)C#N 1P027CXA [0,1,0,0,1,0|1,0,1]=4 3257 B8R1.8 C(c1cscn1)C#N 1P005R7Z [0,1,0,0,1,0|1,0,1]=4 3258 B8R1.8 C(n1cncn1)C#C 1P005C6M [0,1,0,0,1,0|1,0,1]=4 3259 B8R1.8 C(n1cncn1)C#N 1P003F5X [0,1,0,0,1,0|1,0,1]=4 3260 B8R1.8 C=CCn1cccn1 1P00CLDO [0,1,0,0,1,0|1,0,1]=4 3261 B8R1.8 C=CCn1cncc1 1P003BHN [0,1,0,0,1,0|1,0,1]=4 3262 B8R1.8 C=CCn1cncn1 1P00J8RW [0,1,0,0,1,0|1,0,1]=4 3263 B8R1.8 CCCc1c[nH]nc1 1P00I4HL [0,1,0,0,1,0|1,0,0]=3 3264 B8R1.8 CCCc1cc[nH]n1 1P005UQF [0,1,0,0,1,0|1,0,0]=3 3265 B8R1.8 CCCc1ccc[nH]1 1P007FSL [0,1,0,0,1,0|0,0,1]=3 3266 B8R1.8 CCCc1cccs1 1P003IDK [0,1,0,0,1,0|1,0,0]=3 3267 B8R1.8 CCCc1cocn1 1P023RY6 [0,1,0,0,1,0|1,0,0]=3 3268 B8R1.8 CCCc1cscc1 1P003KB0 [0,1,0,0,1,0|1,0,0]=3 3269 B8R1.8 CCCc1n[nH]cn1 1P00J2TN [0,1,0,0,1,0|1,0,0]=3 3270 B8R1.8 CCCc1n[nH]nn1 1P001J1W [0,1,0,0,1,0|2,0,0]=4 3271 B8R1.8 CCCc1ncc[nH]1 1P003IDI [0,1,0,0,1,0|0,0,1]=3 3272 B8R1.8 CCCc1nccs1 1P00250A [0,1,0,0,1,0|1,0,0]=3 3273 B8R1.8 CCCc1ncn[nH]1 1P002CI3 [0,1,0,0,1,0|1,0,0]=3 3274 B8R1.8 CCCn1cccn1 1P003F3X [0,1,0,0,1,0|1,0,0]=3 3275 B8R1.8 CCCn1cncc1 1P0032P5 [0,1,0,0,1,0|1,0,0]=3 3276 B8R1.8 CCCn1cnnc1 1P00BJCQ [0,1,0,0,1,0|2,0,0]=4 3277 B8R1.8 CCNc1cc[nH]n1 1P02809P [0,1,0,0,1,0|1,0,0]=3 3278 B8R1.8 CCNc1cscc1 1P027WY1 [0,1,0,0,1,0|1,0,0]=3 3279 B8R1.8 CCNc1ncc[nH]1 1P01A1SZ [0,1,0,0,1,0|0,0,1]=3 3280 B8R1.8 CCNc1nccs1 1P009VZC [0,1,0,0,1,0|1,0,0]=3 3281 B8R1.8 CCNc1nccs1 1P00IGOJ [0,1,0,0,1,0|1,0,0]=3 3282 B8R1.8 CCNc1ncn[nH]1 1P01DX9H [0,1,0,0,1,0|1,0,0]=3 3283 B8R1.8 CCNc1nnco1 1P01BUA7 [0,1,0,0,1,0|2,0,0]=4 3284 B8R1.8 CCNc1nncs1 1P0011KL [0,1,0,0,1,0|2,0,0]=4 3285 B8R1.8 CCNc1nnns1 1P01C5YM [0,1,0,0,1,0|2,0,0]=4 3286 B8R1.8 CCOc1c[nH]cn1 1P027U2Z [0,1,0,0,1,0|0,0,1]=3 3287 B8R1.8 CCOc1c[nH]nc1 1P0052T0 [0,1,0,0,1,0|1,0,0]=3 3288 B8R1.8 CCOc1cc[nH]n1 1P00ELSD [0,1,0,0,1,0|1,0,0]=3 3289 B8R1.8 CCOc1cccs1 1P01HY7F [0,1,0,0,1,0|1,0,0]=3 3290 B8R1.8 CCOc1cnco1 1P001MYR [0,1,0,0,1,0|1,0,0]=3 3291 B8R1.8 CCOc1cscc1 1P000BFR [0,1,0,0,1,0|1,0,0]=3 3292 B8R1.8 CCOc1nc[c-]s1 1P00D8GG [0,1,0,0,1,0|1,0,1]=4 3293 B8R1.8 CCOc1nccs1 1P001PGN [0,1,0,0,1,0|1,0,0]=3 3294 B8R1.8 CCSc1nnn[nH]1 1P003MO6 [0,1,0,0,1,0|2,0,0]=4 3295 B8R1.8 CNCc1c[nH]cn1 1P01A0V5 [0,1,0,0,1,0|0,0,1]=3 3296 B8R1.8 CNCc1c[nH]nc1 1P01AIIO [0,1,0,0,1,0|1,0,0]=3 3297 B8R1.8 CNCc1c[nH]nc1 1P027VI9 [0,1,0,0,1,0|1,0,0]=3 3298 B8R1.8 CNCc1c[nH]nn1 1P01FPRY [0,1,0,0,1,0|1,0,1]=4 3299 B8R1.8 CNCc1cc[nH]n1 1P028LFR [0,1,0,0,1,0|1,0,0]=3 3300 B8R1.8 CNCc1ccc[nH]1 1P002S02 [0,1,0,0,1,0|0,0,1]=3 3301 B8R1.8 CNCc1ccc[nH]1 1P027XEF [0,1,0,0,1,0|0,0,1]=3 3302 B8R1.8 CNCc1ccco1 1P00D8RX [0,1,0,0,1,0|1,0,0]=3 3303 B8R1.8 CNCc1cccs1 1P003TMJ [0,1,0,0,1,0|1,0,0]=3 3304 B8R1.8 CNCc1cccs1 1P003TMK [0,1,0,0,1,0|1,0,0]=3 3305 B8R1.8 CNCc1ccn[nH]1 1P00FB0Z [0,1,0,0,1,0|1,0,0]=3 3306 B8R1.8 CNCc1ccon1 1P002ZO4 [0,1,0,0,1,0|1,0,0]=3 3307 B8R1.8 CNCc1ccon1 1P008SBA [0,1,0,0,1,0|1,0,0]=3 3308 B8R1.8 CNCc1cnc[nH]1 1P01DQ2Y [0,1,0,0,1,0|0,0,1]=3 3309 B8R1.8 CNCc1cnco1 1P028CGH [0,1,0,0,1,0|1,0,0]=3 3310 B8R1.8 CNCc1cncs1 1P00H3L5 [0,1,0,0,1,0|1,0,0]=3 3311 B8R1.8 CNCc1cocc1 1P002MAS [0,1,0,0,1,0|1,0,0]=3 3312 B8R1.8 CNCc1cocn1 1P027V8U [0,1,0,0,1,0|1,0,0]=3 3313 B8R1.8 CNCc1cscc1 1P002LC2 [0,1,0,0,1,0|1,0,0]=3 3314 B8R1.8 CNCc1cscc1 1P01EJFU [0,1,0,0,1,0|1,0,0]=3 3315 B8R1.8 CNCc1cscn1 1P0081AQ [0,1,0,0,1,0|1,0,0]=3 3316 B8R1.8 CNCc1ncc[nH]1 1P00DDPP [0,1,0,0,1,0|0,0,1]=3 3317 B8R1.8 CNCc1ncc[nH]1 1P00J3T9 [0,1,0,0,1,0|0,0,1]=3 3318 B8R1.8 CNCc1ncco1 1P027WJR [0,1,0,0,1,0|1,0,0]=3 3319 B8R1.8 CNCc1nccs1 1P001JI2 [0,1,0,0,1,0|1,0,0]=3 3320 B8R1.8 CNCc1nccs1 1P00J1AR [0,1,0,0,1,0|1,0,0]=3 3321 B8R1.8 CNCc1ncno1 1P01A0G6 [0,1,0,0,1,0|1,0,0]=3 3322 B8R1.8 CNCc1ncsc1 1P00J1AI [0,1,0,0,1,0|1,0,0]=3 3323 B8R1.8 CNCc1nnc[nH]1 1P01AKCG [0,1,0,0,1,0|1,0,1]=4 3324 B8R1.8 CNCc1nnc[nH]1 1P01BGHC [0,1,0,0,1,0|1,0,1]=4 3325 B8R1.8 CNCc1nnn[nH]1 1P00VUZC [0,1,0,0,1,0|2,0,0]=4 3326 B8R1.8 CNCc1nnn[nH]1 1P01A7A8 [0,1,0,0,1,0|2,0,0]=4 3327 B8R1.8 CNCc1nocn1 1P00J1AG [0,1,0,0,1,0|1,0,0]=3 3328 B8R1.8 CNCc1scnn1 1P028DCU [0,1,0,0,1,0|2,0,0]=4 3329 B8R1.8 COCc1c[nH]cn1 1P00IF42 [0,1,0,0,1,0|0,0,1]=3 3330 B8R1.8 COCc1c[nH]nc1 1P00ILIG [0,1,0,0,1,0|1,0,0]=3 3331 B8R1.8 COCc1cc[nH]n1 1P01DZQW [0,1,0,0,1,0|1,0,0]=3 3332 B8R1.8 COCc1cccs1 1P001LLJ [0,1,0,0,1,0|1,0,0]=3 3333 B8R1.8 COCc1ccns1 1P01FL4P [0,1,0,0,1,0|1,0,0]=3 3334 B8R1.8 COCc1cncs1 1P027XKB [0,1,0,0,1,0|1,0,0]=3 3335 B8R1.8 COCc1cscc1 1P028GT6 [0,1,0,0,1,0|1,0,0]=3 3336 B8R1.8 COCc1n[nH]nn1 1P01JTZJ [0,1,0,0,1,0|2,0,0]=4 3337 B8R1.8 COCc1ncc[nH]1 1P0008HA [0,1,0,0,1,0|0,0,1]=3 3338 B8R1.8 COCc1ncn[nH]1 1P00C2HW [0,1,0,0,1,0|1,0,0]=3 3339 B8R1.8 COCn1cccc1 1P00ID6X [0,1,0,0,1,0|2,0,0]=4 3340 B8R1.8 COCn1cccn1 1P000NFN [0,1,0,0,1,0|1,0,0]=3 3341 B8R1.8 COCn1cncc1 1P002DES [0,1,0,0,1,0|1,0,0]=3 3342 B8R1.8 CSCc1cc[nH]n1 1P01CAKK [0,1,0,0,1,0|1,0,0]=3 3343 B8R1.8 CSCc1ccco1 1P003R63 [0,1,0,0,1,0|1,0,0]=3 3344 B8R1.8 CSCc1nnn[nH]1 1P00C99W [0,1,0,0,1,0|2,0,0]=4 3345 B8R1.8 ClCCc1c[nH]cn1 1P009I67 [0,1,0,0,1,0|0,0,1]=3 3346 B8R1.8 ClCCc1c[nH]nc1 1P008TP8 [0,1,0,0,1,0|1,0,0]=3 3347 B8R1.8 ClCCc1c[nH]nc1 1P00DB8G [0,1,0,0,1,0|1,0,0]=3 3348 B8R1.8 ClCCc1c[nH]nn1 1P01AMF3 [0,1,0,0,1,0|1,0,1]=4 3349 B8R1.8 ClCCc1cccs1 1P002CY4 [0,1,0,0,1,0|1,0,0]=3 3350 B8R1.8 ClCCc1ccsn1 1P01EM7P [0,1,0,0,1,0|1,0,0]=3 3351 B8R1.8 ClCCc1cnc[nH]1 1P00EG0N [0,1,0,0,1,0|0,0,1]=3 3352 B8R1.8 ClCCc1cncs1 1P01AML1 [0,1,0,0,1,0|1,0,0]=3 3353 B8R1.8 ClCCc1conc1 1P01AVAQ [0,1,0,0,1,0|1,0,0]=3 3354 B8R1.8 ClCCc1cscn1 1P00GMD7 [0,1,0,0,1,0|1,0,0]=3 3355 B8R1.8 ClCCc1n[nH]cn1 1P02852C [0,1,0,0,1,0|1,0,0]=3 3356 B8R1.8 ClCCc1n[nH]nn1 1P00I2C3 [0,1,0,0,1,0|2,0,0]=4 3357 B8R1.8 ClCCc1ncc[nH]1 1P00J37C [0,1,0,0,1,0|0,0,1]=3 3358 B8R1.8 ClCCn1cccc1 1P003DAD [0,1,0,0,1,0|2,0,0]=4 3359 B8R1.8 ClCCn1cccn1 1P005UFV [0,1,0,0,1,0|1,0,0]=3 3360 B8R1.8 ClCCn1cccn1 1P019Z04 [0,1,0,0,1,0|1,0,0]=3 3361 B8R1.8 ClCCn1cncc1 1P002EMS [0,1,0,0,1,0|1,0,0]=3 3362 B8R1.8 ClCCn1cncc1 1P00H04N [0,1,0,0,1,0|1,0,0]=3 3363 B8R1.8 ClCCn1cncn1 1P00C6JP [0,1,0,0,1,0|1,0,0]=3 3364 B8R1.8 ClCCn1cncn1 1P01BBWL [0,1,0,0,1,0|1,0,0]=3 3365 B8R1.8 ClCCn1cnnn1 1P00ATP6 [0,1,0,0,1,0|2,0,0]=4 3366 B8R1.8 FCCn1cccn1 1P01AP74 [0,1,0,0,1,0|1,0,0]=3 3367 B8R1.8 FCCn1cncc1 1P01EIRE [0,1,0,0,1,0|1,0,0]=3 3368 B8R1.8 FCCn1cncn1 1P01EIRH [0,1,0,0,1,0|1,0,0]=3 3369 B8R1.8 ICCc1nnn[nH]1 1P028TLP [0,1,0,0,1,0|2,0,0]=4 3370 B8R1.8 ICCn1cccn1 1P0293GI [0,1,0,0,1,0|1,0,0]=3 3371 B8R1.8 ICCn1cncc1 1P028PTI [0,1,0,0,1,0|1,0,0]=3 3372 B8R1.8 ICCn1cncn1 1P0286PH [0,1,0,0,1,0|1,0,0]=3 3373 B8R1.8 N#CCc1c[nH]cc1 1P007SBG [0,1,0,0,1,0|0,0,2]=4 3374 B8R1.8 N#CCc1c[nH]nc1 1P000JFK [0,1,0,0,1,0|1,0,1]=4 3375 B8R1.8 N#CCc1ccc[nH]1 1P00DYLT [0,1,0,0,1,0|0,0,2]=4 3376 B8R1.8 N#CCc1ccco1 1P00BDAE [0,1,0,0,1,0|1,0,1]=4 3377 B8R1.8 N#CCc1cccs1 1P002KFF [0,1,0,0,1,0|1,0,1]=4 3378 B8R1.8 N#CCc1cocc1 1P01Q89A [0,1,0,0,1,0|1,0,1]=4 3379 B8R1.8 N#CCc1conc1 1P019WWJ [0,1,0,0,1,0|1,0,1]=4 3380 B8R1.8 N#CCc1cscc1 1P0014CB [0,1,0,0,1,0|1,0,1]=4 3381 B8R1.8 N#CCc1csnc1 1P028ZJH [0,1,0,0,1,0|1,0,1]=4 3382 B8R1.8 N#CCc1ncc[nH]1 1P002MXF [0,1,0,0,1,0|0,0,2]=4 3383 B8R1.8 N#CCc1ncco1 1P0050ZU [0,1,0,0,1,0|1,0,1]=4 3384 B8R1.8 N#CCc1nccs1 1P0003Z1 [0,1,0,0,1,0|1,0,1]=4 3385 B8R1.8 N#CCc1nocn1 1P019KMJ [0,1,0,0,1,0|1,0,1]=4 3386 B8R1.8 N#CCn1cccn1 1P0079QO [0,1,0,0,1,0|1,0,1]=4 3387 B8R1.8 N#CCn1cncc1 1P00IKN5 [0,1,0,0,1,0|1,0,1]=4 3388 B8R1.8 N#CCn1nccn1 1P01DW3U [0,1,0,0,1,0|1,0,1]=4 3389 B8R1.8 NCCc1[nH]cnc1 1P002N9R [0,1,0,0,1,0|0,0,1]=3 3390 B8R1.8 NCCc1c[nH]cc1 1P01BBDB [0,1,0,0,1,0|0,0,1]=3 3391 B8R1.8 NCCc1c[nH]cn1 1P0037UP [0,1,0,0,1,0|0,0,1]=3 3392 B8R1.8 NCCc1c[nH]nc1 1P00742Z [0,1,0,0,1,0|1,0,0]=3 3393 B8R1.8 NCCc1c[nH]nc1 1P01BCHB [0,1,0,0,1,0|1,0,0]=3 3394 B8R1.8 NCCc1cc[nH]n1 1P0085RD [0,1,0,0,1,0|1,0,0]=3 3395 B8R1.8 NCCc1cc[nH]n1 1P009FIS [0,1,0,0,1,0|1,0,0]=3 3396 B8R1.8 NCCc1ccc[nH]1 1P003F9F [0,1,0,0,1,0|0,0,1]=3 3397 B8R1.8 NCCc1ccco1 1P003HT8 [0,1,0,0,1,0|1,0,0]=3 3398 B8R1.8 NCCc1ccco1 1P00J3S8 [0,1,0,0,1,0|1,0,0]=3 3399 B8R1.8 NCCc1cccs1 1P0030KO [0,1,0,0,1,0|1,0,0]=3 3400 B8R1.8 NCCc1ccno1 1P01BRWE [0,1,0,0,1,0|1,0,0]=3 3401 B8R1.8 NCCc1ccno1 1P0286ZF [0,1,0,0,1,0|1,0,0]=3 3402 B8R1.8 NCCc1ccon1 1P01A2VX [0,1,0,0,1,0|1,0,0]=3 3403 B8R1.8 NCCc1cnn[nH]1 1P00J2Q2 [0,1,0,0,1,0|1,0,1]=4 3404 B8R1.8 NCCc1cocc1 1P01ADC8 [0,1,0,0,1,0|1,0,0]=3 3405 B8R1.8 NCCc1cocc1 1P01B713 [0,1,0,0,1,0|1,0,0]=3 3406 B8R1.8 NCCc1conc1 1P00HF7E [0,1,0,0,1,0|1,0,0]=3 3407 B8R1.8 NCCc1cscc1 1P0038IN [0,1,0,0,1,0|1,0,0]=3 3408 B8R1.8 NCCc1cscc1 1P00EA5P [0,1,0,0,1,0|1,0,0]=3 3409 B8R1.8 NCCc1cscn1 1P008NUY [0,1,0,0,1,0|1,0,0]=3 3410 B8R1.8 NCCc1csnn1 1P028CXE [0,1,0,0,1,0|2,0,0]=4 3411 B8R1.8 NCCc1nc[nH]c1 1P0035GO [0,1,0,0,1,0|0,0,1]=3 3412 B8R1.8 NCCc1nc[nH]c1 1P003REF [0,1,0,0,1,0|0,0,1]=3 3413 B8R1.8 NCCc1ncc[nH]1 1P00I025 [0,1,0,0,1,0|0,0,1]=3 3414 B8R1.8 NCCc1ncco1 1P0284E7 [0,1,0,0,1,0|1,0,0]=3 3415 B8R1.8 NCCc1nccs1 1P003AOM [0,1,0,0,1,0|1,0,0]=3 3416 B8R1.8 NCCc1nccs1 1P0075VS [0,1,0,0,1,0|1,0,0]=3 3417 B8R1.8 NCCc1ncn[nH]1 1P00ID9Y [0,1,0,0,1,0|1,0,0]=3 3418 B8R1.8 NCCc1ncno1 1P00KCRN [0,1,0,0,1,0|1,0,0]=3 3419 B8R1.8 NCCc1ncoc1 1P024XO7 [0,1,0,0,1,0|1,0,0]=3 3420 B8R1.8 NCCc1ncoc1 1P028SJK [0,1,0,0,1,0|1,0,0]=3 3421 B8R1.8 NCCc1ncsc1 1P00G8VN [0,1,0,0,1,0|1,0,0]=3 3422 B8R1.8 NCCc1nn[nH]c1 1P01EIH9 [0,1,0,0,1,0|1,0,1]=4 3423 B8R1.8 NCCc1nnc[nH]1 1P019SJM [0,1,0,0,1,0|1,0,1]=4 3424 B8R1.8 NCCc1nnn[nH]1 1P003FEY [0,1,0,0,1,0|2,0,0]=4 3425 B8R1.8 NCCc1nnn[nH]1 1P00J1YI [0,1,0,0,1,0|2,0,0]=4 3426 B8R1.8 NCCc1nocn1 1P01AJQD [0,1,0,0,1,0|1,0,0]=3 3427 B8R1.8 NCCc1ocnc1 1P028E9Y [0,1,0,0,1,0|1,0,0]=3 3428 B8R1.8 NCCc1scnc1 1P00G9Z1 [0,1,0,0,1,0|1,0,0]=3 3429 B8R1.8 NCCc1scnn1 1P00HYGH [0,1,0,0,1,0|2,0,0]=4 3430 B8R1.8 NCCn1cccc1 1P002ZMK [0,1,0,0,1,0|2,0,0]=4 3431 B8R1.8 NCCn1cccn1 1P0004UZ [0,1,0,0,1,0|1,0,0]=3 3432 B8R1.8 NCCn1cccn1 1P00J1AE [0,1,0,0,1,0|1,0,0]=3 3433 B8R1.8 NCCn1ccnn1 1P00DBYL [0,1,0,0,1,0|2,0,0]=4 3434 B8R1.8 NCCn1ccnn1 1P01B4FL [0,1,0,0,1,0|2,0,0]=4 3435 B8R1.8 NCCn1cncc1 1P003F64 [0,1,0,0,1,0|1,0,0]=3 3436 B8R1.8 NCCn1cncc1 1P00APN2 [0,1,0,0,1,0|1,0,0]=3 3437 B8R1.8 NCCn1cncc1 1P00J9QA [0,1,0,0,1,0|1,0,0]=3 3438 B8R1.8 NCCn1cncn1 1P006WD5 [0,1,0,0,1,0|1,0,0]=3 3439 B8R1.8 NCCn1cncn1 1P00HAIF [0,1,0,0,1,0|1,0,0]=3 3440 B8R1.8 NCCn1cnnc1 1P0003GV [0,1,0,0,1,0|2,0,0]=4 3441 B8R1.8 NCCn1cnnc1 1P00J2WK [0,1,0,0,1,0|2,0,0]=4 3442 B8R1.8 NCCn1cnnn1 1P00J35T [0,1,0,0,1,0|2,0,0]=4 3443 B8R1.8 NCCn1nccn1 1P01ATBE [0,1,0,0,1,0|1,0,0]=3 3444 B8R1.8 NCCn1ncnc1 1P00DK88 [0,1,0,0,1,0|1,0,0]=3 3445 B8R1.8 NCCn1nncn1 1P00JPOI [0,1,0,0,1,0|2,0,0]=4 3446 B8R1.8 NNCc1cccs1 1P00J317 [0,1,0,0,1,0|2,0,0]=4 3447 B8R1.8 NNCc1cscc1 1P01BDCM [0,1,0,0,1,0|2,0,0]=4 3448 B8R1.8 NNCc1cscc1 1P01BDDR [0,1,0,0,1,0|2,0,0]=4 3449 B8R1.8 NOCc1cccs1 1P01P0SG [0,1,0,0,1,0|2,0,0]=4 3450 B8R1.8 NOCc1n[nH]cn1 1P028E4J [0,1,0,0,1,0|2,0,0]=4 3451 B8R1.8 NOCc1n[nH]cn1 1P028IJ8 [0,1,0,0,1,0|2,0,0]=4 3452 B8R1.8 O=CCc1cccs1 1P00AD6S [0,1,0,0,1,0|1,0,1]=4 3453 B8R1.8 O=CCc1cscc1 1P000FCN [0,1,0,0,1,0|1,0,1]=4 3454 B8R1.8 OCC[n+]1cscc1 1P007XL7 [0,1,0,0,1,0|2,0,0]=4 3455 B8R1.8 OCCc1c[nH]nc1 1P002297 [0,1,0,0,1,0|1,0,0]=3 3456 B8R1.8 OCCc1c[nH]nc1 1P019U5T [0,1,0,0,1,0|1,0,0]=3 3457 B8R1.8 OCCc1c[nH]nn1 1P01AII7 [0,1,0,0,1,0|1,0,1]=4 3458 B8R1.8 OCCc1c[nH]nn1 1P01EMU3 [0,1,0,0,1,0|1,0,1]=4 3459 B8R1.8 OCCc1cc[nH]n1 1P00CLE0 [0,1,0,0,1,0|1,0,0]=3 3460 B8R1.8 OCCc1ccc[nH]1 1P006ZXJ [0,1,0,0,1,0|0,0,1]=3 3461 B8R1.8 OCCc1ccco1 1P00BZB3 [0,1,0,0,1,0|1,0,0]=3 3462 B8R1.8 OCCc1cccs1 1P0033WO [0,1,0,0,1,0|1,0,0]=3 3463 B8R1.8 OCCc1ccsn1 1P0290FH [0,1,0,0,1,0|1,0,0]=3 3464 B8R1.8 OCCc1cnc[nH]1 1P0022DH [0,1,0,0,1,0|0,0,1]=3 3465 B8R1.8 OCCc1cnc[nH]1 1P004IMT [0,1,0,0,1,0|0,0,1]=3 3466 B8R1.8 OCCc1cnco1 1P028VU5 [0,1,0,0,1,0|1,0,0]=3 3467 B8R1.8 OCCc1cncs1 1P01B9DR [0,1,0,0,1,0|1,0,0]=3 3468 B8R1.8 OCCc1cocc1 1P0037R8 [0,1,0,0,1,0|1,0,0]=3 3469 B8R1.8 OCCc1conc1 1P004J4U [0,1,0,0,1,0|1,0,0]=3 3470 B8R1.8 OCCc1cscc1 1P0014C9 [0,1,0,0,1,0|1,0,0]=3 3471 B8R1.8 OCCc1cscn1 1P028C5K [0,1,0,0,1,0|1,0,0]=3 3472 B8R1.8 OCCc1csnc1 1P028W89 [0,1,0,0,1,0|1,0,0]=3 3473 B8R1.8 OCCc1n[nH]nn1 1P0021PM [0,1,0,0,1,0|2,0,0]=4 3474 B8R1.8 OCCc1ncc[nH]1 1P003F8Q [0,1,0,0,1,0|0,0,1]=3 3475 B8R1.8 OCCc1ncc[nH]1 1P0281JM [0,1,0,0,1,0|0,0,1]=3 3476 B8R1.8 OCCc1ncco1 1P02817S [0,1,0,0,1,0|1,0,0]=3 3477 B8R1.8 OCCc1nccs1 1P0040AO [0,1,0,0,1,0|1,0,0]=3 3478 B8R1.8 OCCn1cccc1 1P003DBI [0,1,0,0,1,0|2,0,0]=4 3479 B8R1.8 OCCn1cccn1 1P0033B0 [0,1,0,0,1,0|1,0,0]=3 3480 B8R1.8 OCCn1ccnn1 1P008PPU [0,1,0,0,1,0|2,0,0]=4 3481 B8R1.8 OCCn1cncc1 1P0038Q6 [0,1,0,0,1,0|1,0,0]=3 3482 B8R1.8 OCCn1cncn1 1P0038JL [0,1,0,0,1,0|1,0,0]=3 3483 B8R1.8 OCCn1cnnc1 1P006ICN [0,1,0,0,1,0|2,0,0]=4 3484 B8R1.8 OCCn1cnnn1 1P007JT2 [0,1,0,0,1,0|2,0,0]=4 3485 B8R1.8 OCCn1nccn1 1P00AQIJ [0,1,0,0,1,0|1,0,0]=3 3486 B8R1.8 SCCc1ccco1 1P01HNHQ [0,1,0,0,1,0|1,0,0]=3 3487 B8R1.8 SCCc1cccs1 1P01HCS8 [0,1,0,0,1,0|1,0,0]=3 3488 B8R1.8 SCCc1conc1 1P0292JM [0,1,0,0,1,0|1,0,0]=3 3489 B8R1.8 SCCc1cscc1 1P028DTF [0,1,0,0,1,0|1,0,0]=3 3490 B8R1.8 SCCc1n[nH]nn1 1P00FPA0 [0,1,0,0,1,0|2,0,0]=4 3491 B8R1.8 SCCn1cccn1 1P019UID [0,1,0,0,1,0|1,0,0]=3 3492 B8R1.8 SCCn1cncc1 1P02921I [0,1,0,0,1,0|1,0,0]=3 3493 B8R1.8 [C-]#[N+]Cc1cccs1 1P028JRQ [0,1,0,0,1,0|1,0,1]=4 3494 B8R1.11 BrCc1ccsc1Br 1P003H35 [0,1,0,0,1,0|2,0,0]=4 3495 B8R1.11 BrCc1cnsc1Br 1P028AZV [0,1,0,0,1,0|2,0,0]=4 3496 B8R1.11 BrCc1cscc1Br 1P0076HJ [0,1,0,0,1,0|2,0,0]=4 3497 B8R1.11 BrCc1nccn1C 1P00J2TY [0,1,0,0,1,0|1,0,1]=4 3498 B8R1.11 BrCc1nocc1Br 1P027WOP [0,1,0,0,1,0|2,0,0]=4 3499 B8R1.11 BrCc1nscc1Br 1P006Z9C [0,1,0,0,1,0|2,0,0]=4 3500 B8R1.11 BrCc1sncc1Br 1P01C71S [0,1,0,0,1,0|2,0,0]=4 3501 B8R1.11 CCc1[nH]nnc1N 1P01C64L [0,1,0,0,1,0|1,0,1]=4 3502 B8R1.11 CCc1c(N)cn[nH]1 1P01EIID [0,1,0,0,1,0|1,0,0]=3 3503 B8R1.11 CCc1c[nH]nc1C 1P01UOKS [0,1,0,0,1,0|1,0,0]=3 3504 B8R1.11 CCc1c[nH]nc1N 1P00706L [0,1,0,0,1,0|1,0,0]=3 3505 B8R1.11 CCc1cnnn1C 1P01R4S3 [0,1,0,0,1,0|1,0,1]=4 3506 B8R1.11 CCc1cnoc1N 1P01EIGD [0,1,0,0,1,0|1,0,0]=3 3507 B8R1.11 CCc1conc1N 1P01DVVE [0,1,0,0,1,0|1,0,0]=3 3508 B8R1.11 CCc1cscc1Br 1P01DX5X [0,1,0,0,1,0|1,0,0]=3 3509 B8R1.11 CCc1cscc1N 1P0284R7 [0,1,0,0,1,0|1,0,0]=3 3510 B8R1.11 CCc1n[nH]cc1Br 1P001QDJ [0,1,0,0,1,0|1,0,0]=3 3511 B8R1.11 CCc1n[nH]cc1Cl 1P01R68I [0,1,0,0,1,0|1,0,0]=3 3512 B8R1.11 CCc1ncoc1Br 1P028G5M [0,1,0,0,1,0|1,0,0]=3 3513 B8R1.11 CCc1ncsc1Br 1P00KDXM [0,1,0,0,1,0|1,0,0]=3 3514 B8R1.11 CCc1ncsc1N 1P01A25Z [0,1,0,0,1,0|1,0,0]=3 3515 B8R1.11 CCc1nncn1C 1P01A9K2 [0,1,0,0,1,0|1,0,1]=4 3516 B8R1.11 CCc1nncn1N 1P028EBY [0,1,0,0,1,0|1,0,1]=4 3517 B8R1.11 CCc1nnnn1C 1P006FW8 [0,1,0,0,1,0|2,0,0]=4 3518 B8R1.11 CCc1nocc1N 1P01EK3W [0,1,0,0,1,0|1,0,0]=3 3519 B8R1.11 CCc1nocc1N 1P0286HW [0,1,0,0,1,0|1,0,0]=3 3520 B8R1.11 CCc1nonc1N 1P019UTA [0,1,0,0,1,0|1,0,0]=3 3521 B8R1.11 CCc1nscc1N 1P027NP7 [0,1,0,0,1,0|1,0,0]=3 3522 B8R1.11 CCc1ocnc1I 1P028UDH [0,1,0,0,1,0|1,0,0]=3 3523 B8R1.11 CCc1oncc1N 1P01B9EE [0,1,0,0,1,0|1,0,0]=3 3524 B8R1.11 CCc1scnc1C 1P00C09C [0,1,0,0,1,0|1,0,0]=3 3525 B8R1.11 CCn1cc[nH]c1=O 1P000HG0 [0,1,0,0,1,0|1,0,1]=4 3526 B8R1.11 CCn1ccnc1Br 1P00FDHC [0,1,0,0,1,0|1,0,0]=3 3527 B8R1.11 CCn1ccnc1Br 1P00J2XU [0,1,0,0,1,0|1,0,0]=3 3528 B8R1.11 CCn1ccnc1C 1P007P91 [0,1,0,0,1,0|1,0,0]=3 3529 B8R1.11 CCn1ccnc1Cl 1P00IIUO [0,1,0,0,1,0|1,0,0]=3 3530 B8R1.11 CCn1ccnc1N 1P01RIE9 [0,1,0,0,1,0|1,0,0]=3 3531 B8R1.11 CCn1ccnc1S 1P007X2J [0,1,0,0,1,0|1,0,0]=3 3532 B8R1.11 CCn1ccoc1=O 1P028AS0 [0,1,0,0,1,0|2,0,0]=4 3533 B8R1.11 CCn1cn[nH]c1=S 1P00BQOR [0,1,0,0,1,0|2,0,0]=4 3534 B8R1.11 CCn1cnnc1Br 1P00H8YU [0,1,0,0,1,0|2,0,0]=4 3535 B8R1.11 CCn1cnnc1C 1P01A9K5 [0,1,0,0,1,0|2,0,0]=4 3536 B8R1.11 CCn1cnnc1N 1P01B9Z8 [0,1,0,0,1,0|2,0,0]=4 3537 B8R1.11 CCn1cnnc1O 1P028Z7S [0,1,0,0,1,0|2,0,0]=4 3538 B8R1.11 CCn1nccc1Br 1P000TRN [0,1,0,0,1,0|1,0,0]=3 3539 B8R1.11 CCn1nccc1C 1P00JCO2 [0,1,0,0,1,0|1,0,0]=3 3540 B8R1.11 CCn1nccc1Cl 1P00HX11 [0,1,0,0,1,0|1,0,0]=3 3541 B8R1.11 CCn1nccc1I 1P009X6Z [0,1,0,0,1,0|1,0,0]=3 3542 B8R1.11 CCn1nccc1N 1P003ER6 [0,1,0,0,1,0|1,0,0]=3 3543 B8R1.11 CCn1nccc1O 1P007F8F [0,1,0,0,1,0|1,0,0]=3 3544 B8R1.11 CCn1nccc1O 1P028MCP [0,1,0,0,1,0|1,0,0]=3 3545 B8R1.11 CCn1ncnc1Br 1P00F7R1 [0,1,0,0,1,0|1,0,0]=3 3546 B8R1.11 CCn1ncnc1N 1P00EUDY [0,1,0,0,1,0|1,0,0]=3 3547 B8R1.11 CCn1ncnc1N 1P00J1N9 [0,1,0,0,1,0|1,0,0]=3 3548 B8R1.11 CCn1ncnc1O 1P0288C6 [0,1,0,0,1,0|1,0,0]=3 3549 B8R1.11 CCn1nncc1Br 1P01B8UU [0,1,0,0,1,0|2,0,0]=4 3550 B8R1.11 CCn1nncc1N 1P027OWU [0,1,0,0,1,0|2,0,0]=4 3551 B8R1.11 CCn1nncc1S 1P0288ME [0,1,0,0,1,0|2,0,0]=4 3552 B8R1.11 CCn1nnnc1Br 1P028AEX [0,1,0,0,1,0|2,0,0]=4 3553 B8R1.11 CCn1nnnc1I 1P000KX6 [0,1,0,0,1,0|2,0,0]=4 3554 B8R1.11 CCn1nnnc1N 1P00ECKJ [0,1,0,0,1,0|2,0,0]=4 3555 B8R1.11 CCn1nnnc1S 1P007K4Q [0,1,0,0,1,0|2,0,0]=4 3556 B8R1.11 CNc1ccnn1C 1P01AKMK [0,1,0,0,1,0|2,0,0]=4 3557 B8R1.11 CNc1ccnn1C 1P01AKML [0,1,0,0,1,0|2,0,0]=4 3558 B8R1.11 CNc1csnc1C 1P01FK14 [0,1,0,0,1,0|2,0,0]=4 3559 B8R1.11 CNc1nocc1C 1P028YWG [0,1,0,0,1,0|2,0,0]=4 3560 B8R1.11 CNc1nonc1C 1P027VVI [0,1,0,0,1,0|2,0,0]=4 3561 B8R1.11 COc1c(Br)cn[nH]1 1P00HDCZ [0,1,0,0,1,0|2,0,0]=4 3562 B8R1.11 COc1ccnn1C 1P00HUAZ [0,1,0,0,1,0|2,0,0]=4 3563 B8R1.11 COc1cn[nH]c1N 1P01E9LF [0,1,0,0,1,0|2,0,0]=4 3564 B8R1.11 COc1n[nH]cc1C 1P01EJ5X [0,1,0,0,1,0|2,0,0]=4 3565 B8R1.11 COc1n[nH]cc1I 1P00HUB0 [0,1,0,0,1,0|2,0,0]=4 3566 B8R1.11 COc1ncsc1Br 1P01FIXZ [0,1,0,0,1,0|2,0,0]=4 3567 B8R1.11 COc1nonc1N 1P005MR3 [0,1,0,0,1,0|2,0,0]=4 3568 B8R1.11 COc1nscc1Br 1P01A294 [0,1,0,0,1,0|2,0,0]=4 3569 B8R1.11 COc1nscc1I 1P028CPJ [0,1,0,0,1,0|2,0,0]=4 3570 B8R1.11 COc1oncc1Br 1P020KKP [0,1,0,0,1,0|2,0,0]=4 3571 B8R1.11 COc1sccc1Br 1P00EQRS [0,1,0,0,1,0|2,0,0]=4 3572 B8R1.11 CSc1ccoc1C 1P003I2Z [0,1,0,0,1,0|2,0,0]=4 3573 B8R1.11 CSc1cn[nH]c1N 1P019U13 [0,1,0,0,1,0|2,0,0]=4 3574 B8R1.11 CSc1cn[nH]c1N 1P019U14 [0,1,0,0,1,0|2,0,0]=4 3575 B8R1.11 CSc1cscc1Br 1P01HIP5 [0,1,0,0,1,0|2,0,0]=4 3576 B8R1.11 CSc1nccn1C 1P001KPA [0,1,0,0,1,0|1,0,1]=4 3577 B8R1.11 Cc1c[nH]nc1CCl 1P01E9IH [0,1,0,0,1,0|2,0,0]=4 3578 B8R1.11 Cc1c[nH]nc1CO 1P01BH3L [0,1,0,0,1,0|2,0,0]=4 3579 B8R1.11 Cc1cnoc1CO 1P01UOB5 [0,1,0,0,1,0|2,0,0]=4 3580 B8R1.11 Cc1cocc1CN 1P027YZU [0,1,0,0,1,0|2,0,0]=4 3581 B8R1.11 Cc1conc1CBr 1P01DTUW [0,1,0,0,1,0|2,0,0]=4 3582 B8R1.11 Cc1conc1CO 1P01BVDX [0,1,0,0,1,0|2,0,0]=4 3583 B8R1.11 Cc1conc1CS 1P0285XB [0,1,0,0,1,0|2,0,0]=4 3584 B8R1.11 Cc1cscc1CN 1P0091TD [0,1,0,0,1,0|2,0,0]=4 3585 B8R1.11 Cc1cscc1CO 1P01ANQF [0,1,0,0,1,0|2,0,0]=4 3586 B8R1.11 Cc1csnc1CCl 1P027UC2 [0,1,0,0,1,0|2,0,0]=4 3587 B8R1.11 Cc1csnc1CO 1P028AK7 [0,1,0,0,1,0|2,0,0]=4 3588 B8R1.11 Cc1n[nH]cc1CN 1P00039D [0,1,0,0,1,0|2,0,0]=4 3589 B8R1.11 Cc1n[nH]cc1CN 1P019XQ2 [0,1,0,0,1,0|2,0,0]=4 3590 B8R1.11 Cc1n[nH]cc1CO 1P006WCZ [0,1,0,0,1,0|2,0,0]=4 3591 B8R1.11 Cc1nc[nH]c1CCl 1P00DFNK [0,1,0,0,1,0|1,0,1]=4 3592 B8R1.11 Cc1nc[nH]c1CN 1P00FS4D [0,1,0,0,1,0|1,0,1]=4 3593 B8R1.11 Cc1nc[nH]c1CO 1P002ZFD [0,1,0,0,1,0|1,0,1]=4 3594 B8R1.11 Cc1nc[nH]c1CO 1P003M7Q [0,1,0,0,1,0|1,0,1]=4 3595 B8R1.11 Cc1ncoc1CCl 1P00DLW6 [0,1,0,0,1,0|2,0,0]=4 3596 B8R1.11 Cc1ncoc1CCl 1P021N13 [0,1,0,0,1,0|2,0,0]=4 3597 B8R1.11 Cc1ncoc1CN 1P01AM79 [0,1,0,0,1,0|2,0,0]=4 3598 B8R1.11 Cc1ncoc1CN 1P01EIJH [0,1,0,0,1,0|2,0,0]=4 3599 B8R1.11 Cc1ncoc1CO 1P003M63 [0,1,0,0,1,0|2,0,0]=4 3600 B8R1.11 Cc1ncsc1CBr 1P00J3DE [0,1,0,0,1,0|2,0,0]=4 3601 B8R1.11 Cc1ncsc1CCl 1P000UJQ [0,1,0,0,1,0|2,0,0]=4 3602 B8R1.11 Cc1ncsc1CN 1P00G55H [0,1,0,0,1,0|2,0,0]=4 3603 B8R1.11 Cc1ncsc1CO 1P002BFI [0,1,0,0,1,0|2,0,0]=4 3604 B8R1.11 Cc1nocc1CBr 1P01E8TO [0,1,0,0,1,0|2,0,0]=4 3605 B8R1.11 Cc1nocc1CCl 1P003WAH [0,1,0,0,1,0|2,0,0]=4 3606 B8R1.11 Cc1nocc1CN 1P0013IW [0,1,0,0,1,0|2,0,0]=4 3607 B8R1.11 Cc1nocc1CN 1P001BI9 [0,1,0,0,1,0|2,0,0]=4 3608 B8R1.11 Cc1nocc1CO 1P000274 [0,1,0,0,1,0|2,0,0]=4 3609 B8R1.11 Cc1nocc1CS 1P028FRL [0,1,0,0,1,0|2,0,0]=4 3610 B8R1.11 Cc1nonc1CBr 1P00J37H [0,1,0,0,1,0|2,0,0]=4 3611 B8R1.11 Cc1nonc1CCl 1P0033XG [0,1,0,0,1,0|2,0,0]=4 3612 B8R1.11 Cc1nonc1CN 1P000HSB [0,1,0,0,1,0|2,0,0]=4 3613 B8R1.11 Cc1nonc1CN 1P007HU1 [0,1,0,0,1,0|2,0,0]=4 3614 B8R1.11 Cc1nonc1CO 1P0053ZA [0,1,0,0,1,0|2,0,0]=4 3615 B8R1.11 Cc1nonc1CS 1P0284JS [0,1,0,0,1,0|2,0,0]=4 3616 B8R1.11 Cc1nscc1CCl 1P02907E [0,1,0,0,1,0|2,0,0]=4 3617 B8R1.11 Cc1nscc1CO 1P01DZBN [0,1,0,0,1,0|2,0,0]=4 3618 B8R1.11 Cc1occc1CN 1P00C939 [0,1,0,0,1,0|2,0,0]=4 3619 B8R1.11 Cc1occc1CN 1P019XAT [0,1,0,0,1,0|2,0,0]=4 3620 B8R1.11 Cc1occc1CO 1P003IP1 [0,1,0,0,1,0|2,0,0]=4 3621 B8R1.11 Cc1ocnc1CCl 1P000LYP [0,1,0,0,1,0|2,0,0]=4 3622 B8R1.11 Cc1ocnc1CO 1P00GW29 [0,1,0,0,1,0|2,0,0]=4 3623 B8R1.11 Cc1oncc1CCl 1P00HB0T [0,1,0,0,1,0|2,0,0]=4 3624 B8R1.11 Cc1oncc1CN 1P001BIA [0,1,0,0,1,0|2,0,0]=4 3625 B8R1.11 Cc1oncc1CN 1P01DI32 [0,1,0,0,1,0|2,0,0]=4 3626 B8R1.11 Cc1oncc1CO 1P00027F [0,1,0,0,1,0|2,0,0]=4 3627 B8R1.11 Cc1sccc1CCl 1P027UD7 [0,1,0,0,1,0|2,0,0]=4 3628 B8R1.11 Cc1sccc1CN 1P01FJXJ [0,1,0,0,1,0|2,0,0]=4 3629 B8R1.11 Cc1scnc1CCl 1P00HWGE [0,1,0,0,1,0|2,0,0]=4 3630 B8R1.11 Cc1scnc1CN 1P028ZJJ [0,1,0,0,1,0|2,0,0]=4 3631 B8R1.11 Cc1scnc1CO 1P004N28 [0,1,0,0,1,0|2,0,0]=4 3632 B8R1.11 Cc1scnc1CO 1P00J30A [0,1,0,0,1,0|2,0,0]=4 3633 B8R1.11 ClCc1ccsc1Cl 1P0082W6 [0,1,0,0,1,0|2,0,0]=4 3634 B8R1.11 ClCc1conc1Br 1P02820G [0,1,0,0,1,0|2,0,0]=4 3635 B8R1.11 ClCc1cscc1Br 1P01M4MQ [0,1,0,0,1,0|2,0,0]=4 3636 B8R1.11 ClCc1cscc1Cl 1P0286P8 [0,1,0,0,1,0|2,0,0]=4 3637 B8R1.11 ClCc1nccn1C 1P002G9F [0,1,0,0,1,0|1,0,1]=4 3638 B8R1.11 ClCc1nccn1C 1P005KGZ [0,1,0,0,1,0|1,0,1]=4 3639 B8R1.11 ClCc1nocc1Br 1P0283OK [0,1,0,0,1,0|2,0,0]=4 3640 B8R1.11 ClCc1nocc1Cl 1P0282LI [0,1,0,0,1,0|2,0,0]=4 3641 B8R1.11 ClCc1sccc1Br 1P00FGO5 [0,1,0,0,1,0|2,0,0]=4 3642 B8R1.11 ClCc1sccc1Cl 1P01BFZ0 [0,1,0,0,1,0|2,0,0]=4 3643 B8R1.11 ClCc1sccc1I 1P01RLGG [0,1,0,0,1,0|2,0,0]=4 3644 B8R1.11 Clc1sccc1CBr 1P00BYC2 [0,1,0,0,1,0|2,0,0]=4 3645 B8R1.11 Cn1cncc1CBr 1P01FT49 [0,1,0,0,1,0|1,0,1]=4 3646 B8R1.11 Cn1cncc1CCl 1P0063OI [0,1,0,0,1,0|1,0,1]=4 3647 B8R1.11 Cn1cncc1CCl 1P00IGR0 [0,1,0,0,1,0|1,0,1]=4 3648 B8R1.11 Cn1cncc1CN 1P00D8NH [0,1,0,0,1,0|1,0,1]=4 3649 B8R1.11 Cn1cncc1CO 1P0077J0 [0,1,0,0,1,0|1,0,1]=4 3650 B8R1.11 Cn1nccc1CBr 1P01BSNZ [0,1,0,0,1,0|2,0,0]=4 3651 B8R1.11 Cn1nccc1CCl 1P003MNQ [0,1,0,0,1,0|2,0,0]=4 3652 B8R1.11 Cn1nccc1CCl 1P00G7HY [0,1,0,0,1,0|2,0,0]=4 3653 B8R1.11 Cn1nccc1CN 1P003MNB [0,1,0,0,1,0|2,0,0]=4 3654 B8R1.11 Cn1nccc1CN 1P0093F9 [0,1,0,0,1,0|2,0,0]=4 3655 B8R1.11 Cn1nccc1CO 1P008I3U [0,1,0,0,1,0|2,0,0]=4 3656 B8R1.11 Cn1nccc1CS 1P028GXP [0,1,0,0,1,0|2,0,0]=4 3657 B8R1.11 Cn1ncnc1CCl 1P009MOF [0,1,0,0,1,0|2,0,0]=4 3658 B8R1.11 Cn1ncnc1CN 1P002OOE [0,1,0,0,1,0|2,0,0]=4 3659 B8R1.11 Cn1ncnc1CN 1P01A4FS [0,1,0,0,1,0|2,0,0]=4 3660 B8R1.11 Cn1ncnc1CO 1P0037FL [0,1,0,0,1,0|2,0,0]=4 3661 B8R1.11 Cn1ncnc1CO 1P01BCIZ [0,1,0,0,1,0|2,0,0]=4 3662 B8R1.11 Fc1cscc1CBr 1P0281CA [0,1,0,0,1,0|2,0,0]=4 3663 B8R1.11 Fc1cscc1CCl 1P028ZRC [0,1,0,0,1,0|2,0,0]=4 3664 B8R1.11 NCc1c(Br)cn[nH]1 1P0292UG [0,1,0,0,1,0|2,0,0]=4 3665 B8R1.11 NCc1c[nH]nc1C 1P01A7EA [0,1,0,0,1,0|2,0,0]=4 3666 B8R1.11 NCc1cccn1C 1P00FBQ5 [0,1,0,0,1,0|1,0,1]=4 3667 B8R1.11 NCc1cccn1C 1P01DL4E [0,1,0,0,1,0|1,0,1]=4 3668 B8R1.11 NCc1ccnn1C 1P0091AA [0,1,0,0,1,0|2,0,0]=4 3669 B8R1.11 NCc1ccsc1Br 1P001Q2F [0,1,0,0,1,0|2,0,0]=4 3670 B8R1.11 NCc1ccsc1Cl 1P028ZZB [0,1,0,0,1,0|2,0,0]=4 3671 B8R1.11 NCc1ccsc1I 1P028B92 [0,1,0,0,1,0|2,0,0]=4 3672 B8R1.11 NCc1cncn1C 1P0013QI [0,1,0,0,1,0|1,0,1]=4 3673 B8R1.11 NCc1conc1Br 1P0281MB [0,1,0,0,1,0|2,0,0]=4 3674 B8R1.11 NCc1cscc1Br 1P001NHI [0,1,0,0,1,0|2,0,0]=4 3675 B8R1.11 NCc1cscc1I 1P028M4W [0,1,0,0,1,0|2,0,0]=4 3676 B8R1.11 NCc1csnc1C 1P027W0J [0,1,0,0,1,0|2,0,0]=4 3677 B8R1.11 NCc1n[nH]cc1C 1P00ILM5 [0,1,0,0,1,0|2,0,0]=4 3678 B8R1.11 NCc1nc[nH]c1C 1P019TWY [0,1,0,0,1,0|1,0,1]=4 3679 B8R1.11 NCc1nccn1C 1P000MAC [0,1,0,0,1,0|1,0,1]=4 3680 B8R1.11 NCc1nccn1C 1P007XU1 [0,1,0,0,1,0|1,0,1]=4 3681 B8R1.11 NCc1nccn1C 1P00DIDN [0,1,0,0,1,0|1,0,1]=4 3682 B8R1.11 NCc1nocc1Br 1P024NNH [0,1,0,0,1,0|2,0,0]=4 3683 B8R1.11 NCc1nocc1Cl 1P0290VX [0,1,0,0,1,0|2,0,0]=4 3684 B8R1.11 NCc1occc1C 1P00CM1P [0,1,0,0,1,0|2,0,0]=4 3685 B8R1.11 NCc1sccc1Br 1P0055YI [0,1,0,0,1,0|2,0,0]=4 3686 B8R1.11 NCc1sccc1C 1P003C9G [0,1,0,0,1,0|2,0,0]=4 3687 B8R1.11 NCc1sccc1C 1P00HBEG [0,1,0,0,1,0|2,0,0]=4 3688 B8R1.11 NCc1sccc1Cl 1P00BK1B [0,1,0,0,1,0|2,0,0]=4 3689 B8R1.11 NCc1sccc1Cl 1P00ILE2 [0,1,0,0,1,0|2,0,0]=4 3690 B8R1.11 NCc1sccc1I 1P028CQW [0,1,0,0,1,0|2,0,0]=4 3691 B8R1.11 NCc1sncc1Br 1P01C71U [0,1,0,0,1,0|2,0,0]=4 3692 B8R1.11 Nc1nonc1CO 1P0251JX [0,1,0,0,1,0|2,0,0]=4 3693 B8R1.11 OCc1ccsc1Br 1P005X2K [0,1,0,0,1,0|2,0,0]=4 3694 B8R1.11 OCc1ccsc1Cl 1P0085TY [0,1,0,0,1,0|2,0,0]=4 3695 B8R1.11 OCc1cscc1Br 1P005KWB [0,1,0,0,1,0|2,0,0]=4 3696 B8R1.11 OCc1cscc1Cl 1P028IAN [0,1,0,0,1,0|2,0,0]=4 3697 B8R1.11 OCc1cscc1F 1P028BZ7 [0,1,0,0,1,0|2,0,0]=4 3698 B8R1.11 OCc1n[nH]cc1Br 1P01DLB8 [0,1,0,0,1,0|2,0,0]=4 3699 B8R1.11 OCc1n[nH]cc1O 1P028RDN [0,1,0,0,1,0|2,0,0]=4 3700 B8R1.11 OCc1nccn1C 1P001ZA4 [0,1,0,0,1,0|1,0,1]=4 3701 B8R1.11 OCc1nccn1C 1P01A20A [0,1,0,0,1,0|1,0,1]=4 3702 B8R1.11 OCc1ncsc1Br 1P01C4HA [0,1,0,0,1,0|2,0,0]=4 3703 B8R1.11 OCc1nocc1Br 1P0280V7 [0,1,0,0,1,0|2,0,0]=4 3704 B8R1.11 OCc1nocc1Cl 1P0282H2 [0,1,0,0,1,0|2,0,0]=4 3705 B8R1.11 OCc1occc1C 1P00C2AP [0,1,0,0,1,0|2,0,0]=4 3706 B8R1.11 OCc1oncc1Br 1P0293A7 [0,1,0,0,1,0|2,0,0]=4 3707 B8R1.11 OCc1sccc1Br 1P00FBQ7 [0,1,0,0,1,0|2,0,0]=4 3708 B8R1.11 OCc1sccc1C 1P00EJFD [0,1,0,0,1,0|2,0,0]=4 3709 B8R1.11 OCc1sccc1Cl 1P00BBN8 [0,1,0,0,1,0|2,0,0]=4 3710 B8R1.11 OCc1sccc1N 1P00AC6X [0,1,0,0,1,0|2,0,0]=4 3711 B8R1.11 OCc1scnc1Br 1P002SVS [0,1,0,0,1,0|2,0,0]=4 3712 B8R1.11 OCc1scnc1Cl 1P0008BK [0,1,0,0,1,0|2,0,0]=4 3713 B8R1.11 OCc1sncc1Br 1P01C71R [0,1,0,0,1,0|2,0,0]=4 3714 B8R1.11 OCc1sncc1I 1P028WSY [0,1,0,0,1,0|2,0,0]=4 3715 B8R1.11 SCc1occc1C 1P01EJ9G [0,1,0,0,1,0|2,0,0]=4 3716 B8R1.11 [O-]Cc1cccn1C 1P00DAW6 [0,1,0,0,1,0|1,0,1]=4 3717 B10R1.1 BrCCc1ccc(cc1)Br 1P00209O [0,2,0,0,0,0|2,0,0]=4 3718 B10R1.1 BrCCc1ccc(cc1)C 1P003M90 [0,2,0,0,0,0|2,0,0]=4 3719 B10R1.1 BrCCc1ccc(cc1)Cl 1P003LOC [0,2,0,0,0,0|2,0,0]=4 3720 B10R1.1 BrCCc1ccc(cc1)F 1P003LWF [0,2,0,0,0,0|2,0,0]=4 3721 B10R1.1 BrCCc1ccc(cc1)N 1P002TK5 [0,2,0,0,0,0|2,0,0]=4 3722 B10R1.1 BrCCc1ccc(cc1)O 1P003M0B [0,2,0,0,0,0|2,0,0]=4 3723 B10R1.1 BrCCc1ccc(cn1)F 1P028898 [0,2,0,0,0,0|1,0,0]=3 3724 B10R1.1 BrCCc1ccc(nc1)C 1P028KLW [0,2,0,0,0,0|1,0,0]=3 3725 B10R1.1 BrCCc1ccc(nc1)Cl 1P01B9L7 [0,2,0,0,0,0|1,0,0]=3 3726 B10R1.1 CC#Cc1ccc(nc1)Br 1P01BTX6 [0,2,0,0,0,0|1,0,1]=4 3727 B10R1.1 CCCc1ccc(cc1)Br 1P00336M [0,2,0,0,0,0|2,0,0]=4 3728 B10R1.1 CCCc1ccc(cc1)Cl 1P003U0V [0,2,0,0,0,0|2,0,0]=4 3729 B10R1.1 CCCc1ccc(cc1)N 1P003MGR [0,2,0,0,0,0|2,0,0]=4 3730 B10R1.1 CCCc1ccc(cc1)O 1P003MGY [0,2,0,0,0,0|2,0,0]=4 3731 B10R1.1 CCCc1ccc(cc1)S 1P01BL0R [0,2,0,0,0,0|2,0,0]=4 3732 B10R1.1 CCCc1ccc(nc1)Br 1P021X59 [0,2,0,0,0,0|1,0,0]=3 3733 B10R1.1 CCCc1cnc(nc1)Cl 1P003HGE [0,2,0,0,0,0|2,0,0]=4 3734 B10R1.1 CCCc1ncc(cn1)N 1P01B8I4 [0,2,0,0,0,0|2,0,0]=4 3735 B10R1.1 CCNc1ccc(=O)[nH]c1 1P027YPW [0,2,0,0,0,0|1,0,1]=4 3736 B10R1.1 CCNc1ccc(cc1)Br 1P006DFE [0,2,0,0,0,0|2,0,0]=4 3737 B10R1.1 CCNc1ccc(cc1)C 1P003THH [0,2,0,0,0,0|2,0,0]=4 3738 B10R1.1 CCNc1ccc(cc1)C 1P028OAS [0,2,0,0,0,0|2,0,0]=4 3739 B10R1.1 CCNc1ccc(cc1)Cl 1P003TGK [0,2,0,0,0,0|2,0,0]=4 3740 B10R1.1 CCNc1ccc(cc1)Cl 1P01C86E [0,2,0,0,0,0|2,0,0]=4 3741 B10R1.1 CCNc1ccc(cc1)F 1P00C75E [0,2,0,0,0,0|2,0,0]=4 3742 B10R1.1 CCNc1ccc(cc1)F 1P00DZVM [0,2,0,0,0,0|2,0,0]=4 3743 B10R1.1 CCNc1ccc(cc1)N 1P00F0BQ [0,2,0,0,0,0|2,0,0]=4 3744 B10R1.1 CCNc1ccc(cc1)O 1P00FTY5 [0,2,0,0,0,0|2,0,0]=4 3745 B10R1.1 CCNc1ccc(cc1)O 1P01BD6C [0,2,0,0,0,0|2,0,0]=4 3746 B10R1.1 CCNc1ccc(cn1)Br 1P004TLN [0,2,0,0,0,0|1,0,0]=3 3747 B10R1.1 CCNc1ccc(cn1)N 1P00E2O4 [0,2,0,0,0,0|1,0,0]=3 3748 B10R1.1 CCNc1ccc(nn1)Br 1P008VXC [0,2,0,0,0,0|2,0,0]=4 3749 B10R1.1 CCNc1ccc(nn1)C 1P01AI4G [0,2,0,0,0,0|2,0,0]=4 3750 B10R1.1 CCNc1ccc(nn1)Cl 1P003JQK [0,2,0,0,0,0|2,0,0]=4 3751 B10R1.1 CCNc1ncc(cn1)F 1P009IOE [0,2,0,0,0,0|2,0,0]=4 3752 B10R1.1 CCOc1ccc(cc1)Br 1P003LHI [0,2,0,0,0,0|2,0,0]=4 3753 B10R1.1 CCOc1ccc(cc1)C 1P00EAI5 [0,2,0,0,0,0|2,0,0]=4 3754 B10R1.1 CCOc1ccc(cc1)Cl 1P003LOF [0,2,0,0,0,0|2,0,0]=4 3755 B10R1.1 CCOc1ccc(cc1)F 1P003EQY [0,2,0,0,0,0|2,0,0]=4 3756 B10R1.1 CCOc1ccc(cc1)I 1P003LS2 [0,2,0,0,0,0|2,0,0]=4 3757 B10R1.1 CCOc1ccc(cc1)N 1P001OVT [0,2,0,0,0,0|2,0,0]=4 3758 B10R1.1 CCOc1ccc(cc1)N 1P003UEJ [0,2,0,0,0,0|2,0,0]=4 3759 B10R1.1 CCOc1ccc(cc1)N 1P01EKJG [0,2,0,0,0,0|2,0,0]=4 3760 B10R1.1 CCOc1ccc(cc1)O 1P003LS3 [0,2,0,0,0,0|2,0,0]=4 3761 B10R1.1 CCOc1ccc(cc1)S 1P005TIM [0,2,0,0,0,0|2,0,0]=4 3762 B10R1.1 CCOc1ccc(cn1)Br 1P003MXL [0,2,0,0,0,0|1,0,0]=3 3763 B10R1.1 CCOc1ccc(cn1)Cl 1P00I4SY [0,2,0,0,0,0|1,0,0]=3 3764 B10R1.1 CCOc1ccc(cn1)F 1P008GR1 [0,2,0,0,0,0|1,0,0]=3 3765 B10R1.1 CCOc1ccc(cn1)I 1P00GSBW [0,2,0,0,0,0|1,0,0]=3 3766 B10R1.1 CCOc1ccc(cn1)N 1P00I9RP [0,2,0,0,0,0|1,0,0]=3 3767 B10R1.1 CCOc1ccc(nc1)Br 1P0071TQ [0,2,0,0,0,0|1,0,0]=3 3768 B10R1.1 CCOc1ccc(nc1)Cl 1P00G4H7 [0,2,0,0,0,0|1,0,0]=3 3769 B10R1.1 CCOc1ccc(nc1)N 1P00H1EN [0,2,0,0,0,0|1,0,0]=3 3770 B10R1.1 CCOc1ccc(nn1)Br 1P01BZN8 [0,2,0,0,0,0|2,0,0]=4 3771 B10R1.1 CCOc1ccc(nn1)Cl 1P001Z6V [0,2,0,0,0,0|2,0,0]=4 3772 B10R1.1 CCOc1ccc(nn1)N 1P00CI0M [0,2,0,0,0,0|2,0,0]=4 3773 B10R1.1 CCOc1cnc(=N)[nH]c1 1P00C9CJ [0,2,0,0,0,0|2,0,0]=4 3774 B10R1.1 CCOc1cnc(cn1)Br 1P008Y2F [0,2,0,0,0,0|0,0,0]=2 3775 B10R1.1 CCOc1cnc(cn1)Cl 1P00A678 [0,2,0,0,0,0|0,0,0]=2 3776 B10R1.1 CCOc1cnc(cn1)N 1P00ECXA [0,2,0,0,0,0|0,0,0]=2 3777 B10R1.1 CCOc1cnc(nc1)Br 1P00HGA6 [0,2,0,0,0,0|2,0,0]=4 3778 B10R1.1 CCOc1cnc(nc1)Cl 1P00GA5E [0,2,0,0,0,0|2,0,0]=4 3779 B10R1.1 CCOc1ncc(cn1)Br 1P003MXM [0,2,0,0,0,0|2,0,0]=4 3780 B10R1.1 CCOc1ncc(cn1)Cl 1P009IFZ [0,2,0,0,0,0|2,0,0]=4 3781 B10R1.1 CCOc1ncc(cn1)N 1P0060XE [0,2,0,0,0,0|2,0,0]=4 3782 B10R1.1 CCOc1ncc(cn1)O 1P021TVC [0,2,0,0,0,0|2,0,0]=4 3783 B10R1.1 CCSc1ccc(cc1)Br 1P0030UV [0,2,0,0,0,0|2,0,0]=4 3784 B10R1.1 CCSc1ccc(cc1)C 1P00ELQS [0,2,0,0,0,0|2,0,0]=4 3785 B10R1.1 CCSc1ccc(cc1)F 1P002YAA [0,2,0,0,0,0|2,0,0]=4 3786 B10R1.1 CCSc1ccc(cc1)N 1P00J28R [0,2,0,0,0,0|2,0,0]=4 3787 B10R1.1 CCSc1ccc(cn1)Br 1P00HS6N [0,2,0,0,0,0|1,0,0]=3 3788 B10R1.1 CCSc1ccc(cn1)N 1P01A81V [0,2,0,0,0,0|1,0,0]=3 3789 B10R1.1 CCSc1ccc(nc1)Cl 1P027XPO [0,2,0,0,0,0|1,0,0]=3 3790 B10R1.1 CNCc1ccc(cc1)Br 1P003LHF [0,2,0,0,0,0|2,0,0]=4 3791 B10R1.1 CNCc1ccc(cc1)Br 1P003TNF [0,2,0,0,0,0|2,0,0]=4 3792 B10R1.1 CNCc1ccc(cc1)C 1P003TNJ [0,2,0,0,0,0|2,0,0]=4 3793 B10R1.1 CNCc1ccc(cc1)C 1P003TON [0,2,0,0,0,0|2,0,0]=4 3794 B10R1.1 CNCc1ccc(cc1)Cl 1P003DFR [0,2,0,0,0,0|2,0,0]=4 3795 B10R1.1 CNCc1ccc(cc1)Cl 1P003TNG [0,2,0,0,0,0|2,0,0]=4 3796 B10R1.1 CNCc1ccc(cc1)F 1P003LWB [0,2,0,0,0,0|2,0,0]=4 3797 B10R1.1 CNCc1ccc(cc1)F 1P00D9LV [0,2,0,0,0,0|2,0,0]=4 3798 B10R1.1 CNCc1ccc(cc1)I 1P028EDZ [0,2,0,0,0,0|2,0,0]=4 3799 B10R1.1 CNCc1ccc(cc1)N 1P003TNE [0,2,0,0,0,0|2,0,0]=4 3800 B10R1.1 CNCc1ccc(cc1)O 1P003L1D [0,2,0,0,0,0|2,0,0]=4 3801 B10R1.1 CNCc1ccc(cc1)O 1P0092KQ [0,2,0,0,0,0|2,0,0]=4 3802 B10R1.1 CNCc1ccc(cc1)O 1P01EAKR [0,2,0,0,0,0|2,0,0]=4 3803 B10R1.1 CNCc1ccc(cn1)Br 1P0287JA [0,2,0,0,0,0|1,0,0]=3 3804 B10R1.1 CNCc1ccc(cn1)C 1P00HB7L [0,2,0,0,0,0|1,0,0]=3 3805 B10R1.1 CNCc1ccc(cn1)Cl 1P028CVY [0,2,0,0,0,0|1,0,0]=3 3806 B10R1.1 CNCc1ccc(nc1)Br 1P01JMDT [0,2,0,0,0,0|1,0,0]=3 3807 B10R1.1 CNCc1ccc(nc1)C 1P0293DH [0,2,0,0,0,0|1,0,0]=3 3808 B10R1.1 CNCc1ccc(nc1)Cl 1P008VNP [0,2,0,0,0,0|1,0,0]=3 3809 B10R1.1 CNCc1ccc(nc1)Cl 1P00J2N9 [0,2,0,0,0,0|1,0,0]=3 3810 B10R1.1 CNCc1ccc(nc1)N 1P01A5WD [0,2,0,0,0,0|1,0,0]=3 3811 B10R1.1 CNCc1ccc(nc1)N 1P028L0H [0,2,0,0,0,0|1,0,0]=3 3812 B10R1.1 CNCc1cnc(cn1)C 1P028IW5 [0,2,0,0,0,0|0,0,0]=2 3813 B10R1.1 CNCc1cnc(nc1)C 1P000N8M [0,2,0,0,0,0|2,0,0]=4 3814 B10R1.1 CNCc1ncc(cn1)Br 1P01E7PK [0,2,0,0,0,0|2,0,0]=4 3815 B10R1.1 COCc1ccc(cc1)Br 1P001NU5 [0,2,0,0,0,0|2,0,0]=4 3816 B10R1.1 COCc1ccc(cc1)Cl 1P000POK [0,2,0,0,0,0|2,0,0]=4 3817 B10R1.1 COCc1ccc(cc1)I 1P00H370 [0,2,0,0,0,0|2,0,0]=4 3818 B10R1.1 COCc1ccc(cc1)N 1P003KPL [0,2,0,0,0,0|2,0,0]=4 3819 B10R1.1 COCc1ccc(cc1)O 1P00DG3W [0,2,0,0,0,0|2,0,0]=4 3820 B10R1.1 COCc1ccc(cc1)S 1P019TSN [0,2,0,0,0,0|2,0,0]=4 3821 B10R1.1 COCc1ccc(nc1)Br 1P00FG5J [0,2,0,0,0,0|1,0,0]=3 3822 B10R1.1 COCc1ccc(nc1)Cl 1P0005JV [0,2,0,0,0,0|1,0,0]=3 3823 B10R1.1 COCc1ccc(nc1)N 1P028S54 [0,2,0,0,0,0|1,0,0]=3 3824 B10R1.1 COCc1cnc(nc1)Cl 1P001H7U [0,2,0,0,0,0|2,0,0]=4 3825 B10R1.1 COCc1ncc(cn1)Br 1P001FJP [0,2,0,0,0,0|2,0,0]=4 3826 B10R1.1 COCc1ncc(cn1)N 1P01FNU2 [0,2,0,0,0,0|2,0,0]=4 3827 B10R1.1 COCc1ncc(cn1)O 1P00HW75 [0,2,0,0,0,0|2,0,0]=4 3828 B10R1.1 CSCc1ccc(cc1)Br 1P00AS51 [0,2,0,0,0,0|2,0,0]=4 3829 B10R1.1 CSCc1ccc(cc1)Cl 1P00EA6D [0,2,0,0,0,0|2,0,0]=4 3830 B10R1.1 CSCc1ccc(cc1)F 1P00EG4L [0,2,0,0,0,0|2,0,0]=4 3831 B10R1.1 CSCc1ccc(cc1)N 1P01AAGG [0,2,0,0,0,0|2,0,0]=4 3832 B10R1.1 CSCc1ccc(cc1)N 1P028CQ4 [0,2,0,0,0,0|2,0,0]=4 3833 B10R1.1 CSCc1ccc(nc1)Cl 1P008W3Q [0,2,0,0,0,0|1,0,0]=3 3834 B10R1.1 Cc1cnc(cn1)CCN 1P01C2R8 [0,2,0,0,0,0|0,0,0]=2 3835 B10R1.1 Cc1cnc(cn1)CCO 1P01A6ZU [0,2,0,0,0,0|0,0,0]=2 3836 B10R1.1 ClCCc1ccc(cc1)C 1P01AJRP [0,2,0,0,0,0|2,0,0]=4 3837 B10R1.1 ClCCc1ccc(cc1)Cl 1P00BZZW [0,2,0,0,0,0|2,0,0]=4 3838 B10R1.1 ClCCc1ccc(cc1)F 1P003BFT [0,2,0,0,0,0|2,0,0]=4 3839 B10R1.1 ClCCc1ccc(nc1)Cl 1P01DVHP [0,2,0,0,0,0|1,0,0]=3 3840 B10R1.1 FCCc1ccc(cc1)Br 1P028SCH [0,2,0,0,0,0|2,0,0]=4 3841 B10R1.1 FCCc1ccc(cc1)N 1P021OGU [0,2,0,0,0,0|2,0,0]=4 3842 B10R1.1 FCCc1ccc(cc1)O 1P01DHVV [0,2,0,0,0,0|2,0,0]=4 3843 B10R1.1 FCOc1ccc(nc1)Br 1P028CF8 [0,2,0,0,0,0|2,0,0]=4 3844 B10R1.1 FCOc1ccc(nc1)Cl 1P028FTE [0,2,0,0,0,0|2,0,0]=4 3845 B10R1.1 ICCc1ccc(cc1)Br 1P008FXF [0,2,0,0,0,0|2,0,0]=4 3846 B10R1.1 ICCc1ccc(cc1)Cl 1P01JMRL [0,2,0,0,0,0|2,0,0]=4 3847 B10R1.1 N#CCc1ccc(cn1)Br 1P0038J8 [0,2,0,0,0,0|1,0,1]=4 3848 B10R1.1 N#CCc1ccc(cn1)C 1P00D3WU [0,2,0,0,0,0|1,0,1]=4 3849 B10R1.1 N#CCc1ccc(cn1)Cl 1P007TZS [0,2,0,0,0,0|1,0,1]=4 3850 B10R1.1 N#CCc1ccc(cn1)F 1P00IK82 [0,2,0,0,0,0|1,0,1]=4 3851 B10R1.1 N#CCc1ccc(cn1)N 1P004FNV [0,2,0,0,0,0|1,0,1]=4 3852 B10R1.1 N#CCc1ccc(nc1)Br 1P001KQT [0,2,0,0,0,0|1,0,1]=4 3853 B10R1.1 N#CCc1ccc(nc1)C 1P00DFPF [0,2,0,0,0,0|1,0,1]=4 3854 B10R1.1 N#CCc1ccc(nc1)Cl 1P0033P7 [0,2,0,0,0,0|1,0,1]=4 3855 B10R1.1 N#CCc1ccc(nc1)F 1P00CMVP [0,2,0,0,0,0|1,0,1]=4 3856 B10R1.1 NCCc1ccc(=O)[nH]c1 1P01C526 [0,2,0,0,0,0|1,0,1]=4 3857 B10R1.1 NCCc1ccc(cc1)Br 1P0033BE [0,2,0,0,0,0|2,0,0]=4 3858 B10R1.1 NCCc1ccc(cc1)Br 1P00C08F [0,2,0,0,0,0|2,0,0]=4 3859 B10R1.1 NCCc1ccc(cc1)C 1P003M91 [0,2,0,0,0,0|2,0,0]=4 3860 B10R1.1 NCCc1ccc(cc1)C 1P00CLFF [0,2,0,0,0,0|2,0,0]=4 3861 B10R1.1 NCCc1ccc(cc1)Cl 1P001OVU [0,2,0,0,0,0|2,0,0]=4 3862 B10R1.1 NCCc1ccc(cc1)Cl 1P002QCJ [0,2,0,0,0,0|2,0,0]=4 3863 B10R1.1 NCCc1ccc(cc1)F 1P001QL6 [0,2,0,0,0,0|2,0,0]=4 3864 B10R1.1 NCCc1ccc(cc1)F 1P003LWH [0,2,0,0,0,0|2,0,0]=4 3865 B10R1.1 NCCc1ccc(cc1)F 1P01DFUD [0,2,0,0,0,0|2,0,0]=4 3866 B10R1.1 NCCc1ccc(cc1)I 1P005JNU [0,2,0,0,0,0|2,0,0]=4 3867 B10R1.1 NCCc1ccc(cc1)I 1P01B5P8 [0,2,0,0,0,0|2,0,0]=4 3868 B10R1.1 NCCc1ccc(cc1)N 1P003FBD [0,2,0,0,0,0|2,0,0]=4 3869 B10R1.1 NCCc1ccc(cc1)N 1P0070N1 [0,2,0,0,0,0|2,0,0]=4 3870 B10R1.1 NCCc1ccc(cc1)O 1P003FD7 [0,2,0,0,0,0|2,0,0]=4 3871 B10R1.1 NCCc1ccc(cc1)O 1P00IB3O [0,2,0,0,0,0|2,0,0]=4 3872 B10R1.1 NCCc1ccc(cn1)Br 1P01XCAI [0,2,0,0,0,0|1,0,0]=3 3873 B10R1.1 NCCc1ccc(cn1)C 1P00G5VS [0,2,0,0,0,0|1,0,0]=3 3874 B10R1.1 NCCc1ccc(cn1)F 1P01B8QR [0,2,0,0,0,0|1,0,0]=3 3875 B10R1.1 NCCc1ccc(cn1)O 1P01C4CQ [0,2,0,0,0,0|1,0,0]=3 3876 B10R1.1 NCCc1ccc(nc1)C 1P006JIH [0,2,0,0,0,0|1,0,0]=3 3877 B10R1.1 NCCc1ccc(nc1)Cl 1P00DL91 [0,2,0,0,0,0|1,0,0]=3 3878 B10R1.1 NCCc1ccc(nc1)Cl 1P01P153 [0,2,0,0,0,0|1,0,0]=3 3879 B10R1.1 NCCc1ccc(nc1)F 1P027VHR [0,2,0,0,0,0|1,0,0]=3 3880 B10R1.1 NCCc1cnc(nc1)O 1P01BRYZ [0,2,0,0,0,0|2,0,0]=4 3881 B10R1.1 NCCc1ncc(cn1)Br 1P028FZK [0,2,0,0,0,0|2,0,0]=4 3882 B10R1.1 NCCc1ncc(cn1)C 1P00I08Q [0,2,0,0,0,0|2,0,0]=4 3883 B10R1.1 NCCc1ncc(cn1)C 1P01A3HN [0,2,0,0,0,0|2,0,0]=4 3884 B10R1.1 NCCc1ncc(cn1)C 1P027YWY [0,2,0,0,0,0|2,0,0]=4 3885 B10R1.1 NCCc1ncc(cn1)F 1P01FJVA [0,2,0,0,0,0|2,0,0]=4 3886 B10R1.1 NNCc1ccc(nc1)Cl 1P000KW7 [0,2,0,0,0,0|2,0,0]=4 3887 B10R1.1 NNCc1ccc(nc1)Cl 1P008UTN [0,2,0,0,0,0|2,0,0]=4 3888 B10R1.1 OCCc1ccc(cc1)Br 1P003U0U [0,2,0,0,0,0|2,0,0]=4 3889 B10R1.1 OCCc1ccc(cc1)C 1P003BJ1 [0,2,0,0,0,0|2,0,0]=4 3890 B10R1.1 OCCc1ccc(cc1)Cl 1P003LOE [0,2,0,0,0,0|2,0,0]=4 3891 B10R1.1 OCCc1ccc(cc1)F 1P003FD0 [0,2,0,0,0,0|2,0,0]=4 3892 B10R1.1 OCCc1ccc(cc1)I 1P00DCHR [0,2,0,0,0,0|2,0,0]=4 3893 B10R1.1 OCCc1ccc(cc1)N 1P0038HA [0,2,0,0,0,0|2,0,0]=4 3894 B10R1.1 OCCc1ccc(cc1)O 1P0034J3 [0,2,0,0,0,0|2,0,0]=4 3895 B10R1.1 OCCc1ccc(cn1)Br 1P007Q4U [0,2,0,0,0,0|1,0,0]=3 3896 B10R1.1 OCCc1ccc(cn1)C 1P01C53A [0,2,0,0,0,0|1,0,0]=3 3897 B10R1.1 OCCc1ccc(cn1)N 1P01BBSL [0,2,0,0,0,0|1,0,0]=3 3898 B10R1.1 OCCc1ccc(nc1)Br 1P01KMBY [0,2,0,0,0,0|1,0,0]=3 3899 B10R1.1 OCCc1ccc(nc1)C 1P0001NN [0,2,0,0,0,0|1,0,0]=3 3900 B10R1.1 OCCc1ccc(nc1)Cl 1P0081YG [0,2,0,0,0,0|1,0,0]=3 3901 B10R1.1 OCCc1ccc(nc1)F 1P01DVCR [0,2,0,0,0,0|1,0,0]=3 3902 B10R1.1 OCCc1ccc(nc1)N 1P01BDRP [0,2,0,0,0,0|1,0,0]=3 3903 B10R1.1 OCCc1cnc(=O)[nH]c1 1P01BBWS [0,2,0,0,0,0|2,0,0]=4 3904 B10R1.1 OCCc1cnc(nc1)O 1P01BBE8 [0,2,0,0,0,0|2,0,0]=4 3905 B10R1.1 OCCc1cnc(nc1)S 1P01BBE9 [0,2,0,0,0,0|2,0,0]=4 3906 B10R1.3 BrCc1ccc(cn1)C#N 1P001QUG [0,2,0,0,0,0|2,0,0]=4 3907 B10R1.3 BrCc1ccc(nc1)C#N 1P00320Y [0,2,0,0,0,0|2,0,0]=4 3908 B10R1.3 BrCc1ncc(nc1)CBr 1P01I9QG [0,2,0,0,0,0|1,0,0]=3 3909 B10R1.3 C=Cc1ccc(nc1)OC 1P00I56T [0,2,0,0,0,0|2,0,0]=4 3910 B10R1.3 CCc1ccc(cc1)C#C 1P003LSZ [0,2,0,0,0,0|2,0,0]=4 3911 B10R1.3 CCc1ccc(cc1)C#N 1P003LSM [0,2,0,0,0,0|2,0,0]=4 3912 B10R1.3 CCc1ccc(cc1)C=C 1P00C19Q [0,2,0,0,0,0|2,0,0]=4 3913 B10R1.3 CCc1ccc(cc1)C=O 1P003LSJ [0,2,0,0,0,0|2,0,0]=4 3914 B10R1.3 CCc1ccc(cc1)CBr 1P00EIV6 [0,2,0,0,0,0|2,0,0]=4 3915 B10R1.3 CCc1ccc(cc1)CC 1P003E4Y [0,2,0,0,0,0|2,0,0]=4 3916 B10R1.3 CCc1ccc(cc1)CCl 1P001EPE [0,2,0,0,0,0|2,0,0]=4 3917 B10R1.3 CCc1ccc(cc1)CN 1P005YBW [0,2,0,0,0,0|2,0,0]=4 3918 B10R1.3 CCc1ccc(cc1)CN 1P01BFHV [0,2,0,0,0,0|2,0,0]=4 3919 B10R1.3 CCc1ccc(cc1)CO 1P003LSN [0,2,0,0,0,0|2,0,0]=4 3920 B10R1.3 CCc1ccc(cc1)CS 1P005EKU [0,2,0,0,0,0|2,0,0]=4 3921 B10R1.3 CCc1ccc(cc1)NC 1P0077ZT [0,2,0,0,0,0|2,0,0]=4 3922 B10R1.3 CCc1ccc(cc1)NN 1P003LT1 [0,2,0,0,0,0|2,0,0]=4 3923 B10R1.3 CCc1ccc(cc1)OC 1P001NU2 [0,2,0,0,0,0|2,0,0]=4 3924 B10R1.3 CCc1ccc(nc1)C=O 1P00C2OZ [0,2,0,0,0,0|1,0,0]=3 3925 B10R1.3 CCc1ccc(nc1)CBr 1P01AMNC [0,2,0,0,0,0|1,0,0]=3 3926 B10R1.3 CCc1ccc(nc1)CN 1P00DD9J [0,2,0,0,0,0|1,0,0]=3 3927 B10R1.3 CCc1ccc(nc1)CO 1P005SKE [0,2,0,0,0,0|1,0,0]=3 3928 B10R1.3 CCc1cnc(nc1)C#C 1P028AQD [0,2,0,0,0,0|2,0,0]=4 3929 B10R1.3 CCc1cnc(nc1)C=O 1P028WW1 [0,2,0,0,0,0|2,0,0]=4 3930 B10R1.3 CCc1ncc(cn1)C#N 1P0084V6 [0,2,0,0,0,0|2,0,0]=4 3931 B10R1.3 CCc1ncc(cn1)C=O 1P002ALW [0,2,0,0,0,0|2,0,0]=4 3932 B10R1.3 CCc1ncc(cn1)CN 1P00HTP4 [0,2,0,0,0,0|2,0,0]=4 3933 B10R1.3 CNc1ccc(cn1)C#C 1P01JMR1 [0,2,0,0,0,0|2,0,0]=4 3934 B10R1.3 CNc1ccc(cn1)C#N 1P002SGF [0,2,0,0,0,0|2,0,0]=4 3935 B10R1.3 CNc1ccc(nc1)C#N 1P01C5MJ [0,2,0,0,0,0|2,0,0]=4 3936 B10R1.3 CNc1ccc(nc1)OC 1P00391Y [0,2,0,0,0,0|2,0,0]=4 3937 B10R1.3 CNc1ccc(nc1)OC 1P028WXG [0,2,0,0,0,0|2,0,0]=4 3938 B10R1.3 CNc1ncc(nc1)C#N 1P01BG91 [0,2,0,0,0,0|1,0,0]=3 3939 B10R1.3 COc1ccc(cn1)C#C 1P00FDMA [0,2,0,0,0,0|2,0,0]=4 3940 B10R1.3 COc1ccc(cn1)C#N 1P001R8T [0,2,0,0,0,0|2,0,0]=4 3941 B10R1.3 COc1ccc(cn1)OC 1P003GFF [0,2,0,0,0,0|2,0,0]=4 3942 B10R1.3 COc1ccc(cn1)[N+]#[C-] 1P01BJ5I [0,2,0,0,0,0|2,0,0]=4 3943 B10R1.3 COc1ccc(nc1)C#C 1P000PSM [0,2,0,0,0,0|2,0,0]=4 3944 B10R1.3 COc1ccc(nc1)C#N 1P00GVDP [0,2,0,0,0,0|2,0,0]=4 3945 B10R1.3 COc1ccc(nc1)C=O 1P007PP1 [0,2,0,0,0,0|2,0,0]=4 3946 B10R1.3 COc1ccc(nc1)CBr 1P01AFT1 [0,2,0,0,0,0|2,0,0]=4 3947 B10R1.3 COc1ccc(nc1)CCl 1P005CNS [0,2,0,0,0,0|2,0,0]=4 3948 B10R1.3 COc1ccc(nc1)CCl 1P00IDPA [0,2,0,0,0,0|2,0,0]=4 3949 B10R1.3 COc1ccc(nc1)CN 1P00H1FD [0,2,0,0,0,0|2,0,0]=4 3950 B10R1.3 COc1ccc(nc1)CO 1P000Y39 [0,2,0,0,0,0|2,0,0]=4 3951 B10R1.3 COc1ccc(nc1)NC 1P01ACTZ [0,2,0,0,0,0|2,0,0]=4 3952 B10R1.3 COc1ccc(nc1)NN 1P00FHXL [0,2,0,0,0,0|2,0,0]=4 3953 B10R1.3 COc1ncc(nc1)C#C 1P0013PU [0,2,0,0,0,0|1,0,0]=3 3954 B10R1.3 COc1ncc(nc1)C#N 1P00CLPD [0,2,0,0,0,0|1,0,0]=3 3955 B10R1.3 COc1ncc(nc1)C=O 1P00C829 [0,2,0,0,0,0|1,0,0]=3 3956 B10R1.3 CSc1ccc(nc1)C#N 1P01C3LR [0,2,0,0,0,0|2,0,0]=4 3957 B10R1.3 ClCc1ccc(cn1)C#N 1P004U7P [0,2,0,0,0,0|2,0,0]=4 3958 B10R1.3 ClCc1ccc(cn1)CCl 1P005V8I [0,2,0,0,0,0|2,0,0]=4 3959 B10R1.3 ClCc1ccc(nc1)C#N 1P0017VW [0,2,0,0,0,0|2,0,0]=4 3960 B10R1.3 ClCc1ccc(nc1)OC 1P0006N6 [0,2,0,0,0,0|2,0,0]=4 3961 B10R1.3 ClCc1ccc(nc1)OC 1P007QU4 [0,2,0,0,0,0|2,0,0]=4 3962 B10R1.3 ClCc1ncc(nc1)CCl 1P01EI8A [0,2,0,0,0,0|1,0,0]=3 3963 B10R1.3 N#Cc1ncc(nc1)C#N 1P019E0F [0,2,0,0,0,0|1,0,1]=4 3964 B10R1.3 NCc1ccc(cn1)C#N 1P00HUB5 [0,2,0,0,0,0|2,0,0]=4 3965 B10R1.3 NCc1ccc(cn1)C#N 1P01BAX0 [0,2,0,0,0,0|2,0,0]=4 3966 B10R1.3 NCc1ccc(nc1)C#N 1P00241Y [0,2,0,0,0,0|2,0,0]=4 3967 B10R1.3 NCc1ccc(nc1)NC 1P01XD8P [0,2,0,0,0,0|2,0,0]=4 3968 B10R1.3 NCc1ccc(nc1)OC 1P001YWQ [0,2,0,0,0,0|2,0,0]=4 3969 B10R1.3 NCc1ccc(nc1)OC 1P002STY [0,2,0,0,0,0|2,0,0]=4 3970 B10R1.3 NCc1ccc(nc1)OC 1P00G8P2 [0,2,0,0,0,0|2,0,0]=4 3971 B10R1.3 NCc1ccc(nc1)SC 1P028GV7 [0,2,0,0,0,0|2,0,0]=4 3972 B10R1.3 NCc1ncc(nc1)NC 1P028RZ8 [0,2,0,0,0,0|1,0,0]=3 3973 B10R1.3 NCc1ncc(nc1)OC 1P01FJU3 [0,2,0,0,0,0|1,0,0]=3 3974 B10R1.3 NNc1ccc(nc1)OC 1P0027JL [0,2,0,0,0,0|2,0,0]=4 3975 B10R1.3 NNc1ccc(nc1)OC 1P00DK7C [0,2,0,0,0,0|2,0,0]=4 3976 B10R1.3 NNc1ncc(nc1)C#N 1P028MFP [0,2,0,0,0,0|1,0,1]=4 3977 B10R1.3 O=Cc1ccc(nc1)CC 1P01BB8K [0,2,0,0,0,0|1,0,0]=3 3978 B10R1.3 O=Cc1ccc(nc1)NC 1P005ZED [0,2,0,0,0,0|2,0,0]=4 3979 B10R1.3 O=Cc1ccc(nc1)OC 1P003NQJ [0,2,0,0,0,0|2,0,0]=4 3980 B10R1.3 OCc1ccc(cn1)C#C 1P01AG9Q [0,2,0,0,0,0|2,0,0]=4 3981 B10R1.3 OCc1ccc(cn1)C#N 1P0037UI [0,2,0,0,0,0|2,0,0]=4 3982 B10R1.3 OCc1ccc(cn1)CO 1P00C4SI [0,2,0,0,0,0|2,0,0]=4 3983 B10R1.3 OCc1ccc(nc1)C#C 1P01XH7A [0,2,0,0,0,0|2,0,0]=4 3984 B10R1.3 OCc1ccc(nc1)C#N 1P00ED77 [0,2,0,0,0,0|2,0,0]=4 3985 B10R1.3 OCc1ccc(nc1)C=O 1P00CNTZ [0,2,0,0,0,0|2,0,0]=4 3986 B10R1.3 OCc1ccc(nc1)CC 1P00E72Y [0,2,0,0,0,0|1,0,0]=3 3987 B10R1.3 OCc1ccc(nc1)OC 1P00EGIB [0,2,0,0,0,0|2,0,0]=4 3988 B10R1.3 OCc1ncc(nc1)OC 1P00FCQM [0,2,0,0,0,0|1,0,0]=3 3989 B10R1.13 Brc1ccc(cc1)C(Br)C 1P00BJF5 [0,2,0,0,0,0|2,0,0]=4 3990 B10R1.13 Brc1ccc(cn1)C(=C)C 1P01CAUD [0,2,0,0,0,0|1,0,1]=4 3991 B10R1.13 Brc1ccc(cn1)C(=O)C 1P001AJL [0,2,0,0,0,0|1,0,1]=4 3992 B10R1.13 Brc1ccc(cn1)C(C)C 1P01FSQM [0,2,0,0,0,0|1,0,0]=3 3993 B10R1.13 Brc1ccc(cn1)C(F)F 1P0017A4 [0,2,0,0,0,0|2,0,0]=4 3994 B10R1.13 Brc1ccc(cn1)C(O)C 1P00A6BK [0,2,0,0,0,0|1,0,0]=3 3995 B10R1.13 Brc1ccc(cn1)N(C)C 1P00CLSE [0,2,0,0,0,0|2,0,0]=4 3996 B10R1.13 Brc1ccc(cn1)[C@@H](N)C 1P00HGKC [0,2,0,0,0,0|1,0,0]=3 3997 B10R1.13 Brc1ccc(cn1)[C@@H](O)C 1P028HPX [0,2,0,0,0,0|1,0,0]=3 3998 B10R1.13 Brc1ccc(cn1)[C@H](N)C 1P01M0WP [0,2,0,0,0,0|1,0,0]=3 3999 B10R1.13 Brc1ccc(nc1)C(=O)C 1P0033JA [0,2,0,0,0,0|1,0,1]=4 4000 B10R1.13 Brc1ccc(nc1)C(=O)C 1P01BH9H [0,2,0,0,0,0|1,0,1]=4 4001 B10R1.13 Brc1ccc(nc1)C(C)C 1P000HQZ [0,2,0,0,0,0|1,0,0]=3 4002 B10R1.13 Brc1ccc(nc1)C(F)F 1P004RGO [0,2,0,0,0,0|2,0,0]=4 4003 B10R1.13 Brc1ccc(nc1)C(N)C 1P01BH2H [0,2,0,0,0,0|1,0,0]=3 4004 B10R1.13 Brc1ccc(nc1)C(O)C 1P001RLP [0,2,0,0,0,0|1,0,0]=3 4005 B10R1.13 Brc1ccc(nc1)N(C)C 1P002SEP [0,2,0,0,0,0|2,0,0]=4 4006 B10R1.13 Brc1ccc(nc1)[C@@H](N)C 1P000T08 [0,2,0,0,0,0|1,0,0]=3 4007 B10R1.13 Brc1ccc(nc1)[C@@H](N)C 1P001AV5 [0,2,0,0,0,0|1,0,0]=3 4008 B10R1.13 Brc1ccc(nc1)[C@@H](N)C 1P00IH89 [0,2,0,0,0,0|1,0,0]=3 4009 B10R1.13 Brc1ccc(nc1)[C@@H](O)C 1P00K74A [0,2,0,0,0,0|1,0,0]=3 4010 B10R1.13 Brc1ccc(nc1)[C@H](N)C 1P00IJH3 [0,2,0,0,0,0|1,0,0]=3 4011 B10R1.13 Brc1ccc(nc1)[C@H](N)C 1P01DECR [0,2,0,0,0,0|1,0,0]=3 4012 B10R1.13 Brc1ccc(nc1)[C@H](N)C 1P024IA0 [0,2,0,0,0,0|1,0,0]=3 4013 B10R1.13 Brc1ccc(nc1)[C@H](O)C 1P01XA6D [0,2,0,0,0,0|1,0,0]=3 4014 B10R1.13 CC(=O)c1c[nH]c(=O)cn1 1P000HQ8 [0,2,0,0,0,0|0,0,2]=4 4015 B10R1.13 CC(=O)c1cnc(cn1)Cl 1P001S9V [0,2,0,0,0,0|0,0,1]=3 4016 B10R1.13 CC(c1ccc(=O)[nH]n1)C 1P00EH56 [0,2,0,0,0,0|2,0,0]=4 4017 B10R1.13 CC(c1ccc(cc1)Br)C 1P003LGJ [0,2,0,0,0,0|2,0,0]=4 4018 B10R1.13 CC(c1ccc(cc1)Br)Cl 1P019ZE7 [0,2,0,0,0,0|2,0,0]=4 4019 B10R1.13 CC(c1ccc(cc1)Br)F 1P001R1P [0,2,0,0,0,0|2,0,0]=4 4020 B10R1.13 CC(c1ccc(cc1)Br)N 1P006WO1 [0,2,0,0,0,0|2,0,0]=4 4021 B10R1.13 CC(c1ccc(cc1)Br)N 1P00IGF4 [0,2,0,0,0,0|2,0,0]=4 4022 B10R1.13 CC(c1ccc(cc1)Br)O 1P003DF9 [0,2,0,0,0,0|2,0,0]=4 4023 B10R1.13 CC(c1ccc(cc1)Cl)Br 1P001FUU [0,2,0,0,0,0|2,0,0]=4 4024 B10R1.13 CC(c1ccc(cc1)Cl)C 1P002SQZ [0,2,0,0,0,0|2,0,0]=4 4025 B10R1.13 CC(c1ccc(cc1)Cl)N 1P00DL24 [0,2,0,0,0,0|2,0,0]=4 4026 B10R1.13 CC(c1ccc(cc1)Cl)N 1P00EAR0 [0,2,0,0,0,0|2,0,0]=4 4027 B10R1.13 CC(c1ccc(cc1)Cl)O 1P003DFQ [0,2,0,0,0,0|2,0,0]=4 4028 B10R1.13 CC(c1ccc(cc1)Cl)S 1P01A82Y [0,2,0,0,0,0|2,0,0]=4 4029 B10R1.13 CC(c1ccc(cc1)F)Br 1P00EC6O [0,2,0,0,0,0|2,0,0]=4 4030 B10R1.13 CC(c1ccc(cc1)F)C 1P003ESU [0,2,0,0,0,0|2,0,0]=4 4031 B10R1.13 CC(c1ccc(cc1)F)Cl 1P00DQWN [0,2,0,0,0,0|2,0,0]=4 4032 B10R1.13 CC(c1ccc(cc1)F)N 1P003DGB [0,2,0,0,0,0|2,0,0]=4 4033 B10R1.13 CC(c1ccc(cc1)F)N 1P00CMBL [0,2,0,0,0,0|2,0,0]=4 4034 B10R1.13 CC(c1ccc(cc1)F)O 1P003DGC [0,2,0,0,0,0|2,0,0]=4 4035 B10R1.13 CC(c1ccc(cc1)F)S 1P01A82X [0,2,0,0,0,0|2,0,0]=4 4036 B10R1.13 CC(c1ccc(cc1)I)Br 1P0283HF [0,2,0,0,0,0|2,0,0]=4 4037 B10R1.13 CC(c1ccc(cc1)I)C 1P001ZHJ [0,2,0,0,0,0|2,0,0]=4 4038 B10R1.13 CC(c1ccc(cc1)I)N 1P006KJJ [0,2,0,0,0,0|2,0,0]=4 4039 B10R1.13 CC(c1ccc(cc1)I)O 1P00DZFM [0,2,0,0,0,0|2,0,0]=4 4040 B10R1.13 CC(c1ccc(cc1)N)C 1P0034JO [0,2,0,0,0,0|2,0,0]=4 4041 B10R1.13 CC(c1ccc(cc1)N)O 1P001DTE [0,2,0,0,0,0|2,0,0]=4 4042 B10R1.13 CC(c1ccc(cc1)O)C 1P0034JR [0,2,0,0,0,0|2,0,0]=4 4043 B10R1.13 CC(c1ccc(cc1)O)N 1P009BNU [0,2,0,0,0,0|2,0,0]=4 4044 B10R1.13 CC(c1ccc(cc1)O)N 1P00J27B [0,2,0,0,0,0|2,0,0]=4 4045 B10R1.13 CC(c1ccc(cc1)S)C 1P003CCT [0,2,0,0,0,0|2,0,0]=4 4046 B10R1.13 CC(c1ccc(cc1)S)O 1P01BD1Q [0,2,0,0,0,0|2,0,0]=4 4047 B10R1.13 CC(c1ccc(nn1)Br)C 1P0092XV [0,2,0,0,0,0|2,0,0]=4 4048 B10R1.13 CC(c1ccc(nn1)Br)C 1P009KKH [0,2,0,0,0,0|2,0,0]=4 4049 B10R1.13 CC(c1ccc(nn1)Cl)C 1P00EITN [0,2,0,0,0,0|2,0,0]=4 4050 B10R1.13 CC(c1ccc(nn1)N)C 1P00EDHW [0,2,0,0,0,0|2,0,0]=4 4051 B10R1.13 CC(c1ccc(nn1)S)C 1P02892I [0,2,0,0,0,0|2,0,0]=4 4052 B10R1.13 CC(c1cnc(=O)[nH]c1)C 1P00J31B [0,2,0,0,0,0|2,0,0]=4 4053 B10R1.13 CC(c1cnc(cn1)Cl)N 1P01BDD6 [0,2,0,0,0,0|0,0,0]=2 4054 B10R1.13 CC(c1cnc(cn1)Cl)N 1P0287OD [0,2,0,0,0,0|0,0,0]=2 4055 B10R1.13 CC(c1cnc(nc1)Cl)C 1P00EKAE [0,2,0,0,0,0|2,0,0]=4 4056 B10R1.13 CC(c1cnc(nc1)Cl)O 1P000Y40 [0,2,0,0,0,0|2,0,0]=4 4057 B10R1.13 CC(c1cnc(nc1)N)C 1P006SW2 [0,2,0,0,0,0|2,0,0]=4 4058 B10R1.13 CC(c1ncc(cn1)Br)C 1P0096D4 [0,2,0,0,0,0|2,0,0]=4 4059 B10R1.13 CC(c1ncc(cn1)Br)Cl 1P01B82F [0,2,0,0,0,0|2,0,0]=4 4060 B10R1.13 CC(c1ncc(cn1)Br)N 1P01AMCF [0,2,0,0,0,0|2,0,0]=4 4061 B10R1.13 CC(c1ncc(cn1)Br)N 1P01FJ5Q [0,2,0,0,0,0|2,0,0]=4 4062 B10R1.13 CC(c1ncc(cn1)Br)O 1P01E8FU [0,2,0,0,0,0|2,0,0]=4 4063 B10R1.13 CC(c1ncc(cn1)F)N 1P009KH9 [0,2,0,0,0,0|2,0,0]=4 4064 B10R1.13 CC(c1ncc(cn1)F)O 1P00H3AX [0,2,0,0,0,0|2,0,0]=4 4065 B10R1.13 CC(c1ncc(cn1)N)C 1P00IIPV [0,2,0,0,0,0|2,0,0]=4 4066 B10R1.13 CC(c1ncc(nc1)N)C 1P01T3PU [0,2,0,0,0,0|0,0,0]=2 4067 B10R1.13 CC1=CCC(=CC1)C(C)C 1P003R7B [0,2,0,0,0,0|2,0,0]=4 4068 B10R1.13 CN(c1ncc(nc1)Br)C 1P0071YY [0,2,0,0,0,0|1,0,0]=3 4069 B10R1.13 CN(c1ncc(nc1)Cl)C 1P00A0LB [0,2,0,0,0,0|1,0,0]=3 4070 B10R1.13 C[C@@H](c1ccc(cc1)Br)N 1P0038KT [0,2,0,0,0,0|2,0,0]=4 4071 B10R1.13 C[C@@H](c1ccc(cc1)Br)N 1P00G42K [0,2,0,0,0,0|2,0,0]=4 4072 B10R1.13 C[C@@H](c1ccc(cc1)Br)O 1P0003B7 [0,2,0,0,0,0|2,0,0]=4 4073 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N 1P003CZG [0,2,0,0,0,0|2,0,0]=4 4074 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N 1P00EJGP [0,2,0,0,0,0|2,0,0]=4 4075 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O 1P003D38 [0,2,0,0,0,0|2,0,0]=4 4076 B10R1.13 C[C@@H](c1ccc(cc1)F)N 1P003CTR [0,2,0,0,0,0|2,0,0]=4 4077 B10R1.13 C[C@@H](c1ccc(cc1)F)N 1P009CLZ [0,2,0,0,0,0|2,0,0]=4 4078 B10R1.13 C[C@@H](c1ccc(cc1)F)O 1P0004GE [0,2,0,0,0,0|2,0,0]=4 4079 B10R1.13 C[C@@H](c1ccc(cc1)I)N 1P00HSQG [0,2,0,0,0,0|2,0,0]=4 4080 B10R1.13 C[C@@H](c1ccc(cc1)I)O 1P01AH65 [0,2,0,0,0,0|2,0,0]=4 4081 B10R1.13 C[C@@H](c1ccc(cc1)N)O 1P01A474 [0,2,0,0,0,0|2,0,0]=4 4082 B10R1.13 C[C@@H](c1ccc(cc1)O)N 1P01X08H [0,2,0,0,0,0|2,0,0]=4 4083 B10R1.13 C[C@@H](c1ncc(cn1)Br)N 1P027ZNF [0,2,0,0,0,0|2,0,0]=4 4084 B10R1.13 C[C@@H](c1ncc(cn1)F)N 1P00GUDJ [0,2,0,0,0,0|2,0,0]=4 4085 B10R1.13 C[C@H](c1ccc(cc1)Br)N 1P003CL3 [0,2,0,0,0,0|2,0,0]=4 4086 B10R1.13 C[C@H](c1ccc(cc1)Br)N 1P003CNO [0,2,0,0,0,0|2,0,0]=4 4087 B10R1.13 C[C@H](c1ccc(cc1)Br)O 1P003CQX [0,2,0,0,0,0|2,0,0]=4 4088 B10R1.13 C[C@H](c1ccc(cc1)Cl)N 1P000DML [0,2,0,0,0,0|2,0,0]=4 4089 B10R1.13 C[C@H](c1ccc(cc1)Cl)N 1P003CNP [0,2,0,0,0,0|2,0,0]=4 4090 B10R1.13 C[C@H](c1ccc(cc1)Cl)O 1P003CQY [0,2,0,0,0,0|2,0,0]=4 4091 B10R1.13 C[C@H](c1ccc(cc1)F)N 1P003CNQ [0,2,0,0,0,0|2,0,0]=4 4092 B10R1.13 C[C@H](c1ccc(cc1)F)N 1P00C70Z [0,2,0,0,0,0|2,0,0]=4 4093 B10R1.13 C[C@H](c1ccc(cc1)F)O 1P0004GH [0,2,0,0,0,0|2,0,0]=4 4094 B10R1.13 C[C@H](c1ccc(cc1)I)N 1P000N1E [0,2,0,0,0,0|2,0,0]=4 4095 B10R1.13 C[C@H](c1ccc(cc1)I)N 1P001MR0 [0,2,0,0,0,0|2,0,0]=4 4096 B10R1.13 C[C@H](c1ccc(cc1)I)O 1P01AAE3 [0,2,0,0,0,0|2,0,0]=4 4097 B10R1.13 C[C@H](c1ccc(cc1)N)O 1P01A4RA [0,2,0,0,0,0|2,0,0]=4 4098 B10R1.13 C[C@H](c1ccc(cc1)O)N 1P01DUO1 [0,2,0,0,0,0|2,0,0]=4 4099 B10R1.13 C[C@H](c1ncc(cn1)Br)N 1P028SHP [0,2,0,0,0,0|2,0,0]=4 4100 B10R1.13 Cc1ccc(cc1)C(Br)C 1P00VUTW [0,2,0,0,0,0|2,0,0]=4 4101 B10R1.13 Cc1ccc(cc1)C(C)C 1P003564 [0,2,0,0,0,0|2,0,0]=4 4102 B10R1.13 Cc1ccc(cc1)C(C)C 1P00IKVY [0,2,0,0,0,0|2,0,0]=4 4103 B10R1.13 Cc1ccc(cc1)C(Cl)C 1P028YLR [0,2,0,0,0,0|2,0,0]=4 4104 B10R1.13 Cc1ccc(cc1)C(N)C 1P0032ZG [0,2,0,0,0,0|2,0,0]=4 4105 B10R1.13 Cc1ccc(cc1)C(O)C 1P003DHB [0,2,0,0,0,0|2,0,0]=4 4106 B10R1.13 Cc1ccc(cc1)[C@@H](N)C 1P003CTT [0,2,0,0,0,0|2,0,0]=4 4107 B10R1.13 Cc1ccc(cc1)[C@@H](N)C 1P00G7UO [0,2,0,0,0,0|2,0,0]=4 4108 B10R1.13 Cc1ccc(cc1)[C@@H](O)C 1P00DA1A [0,2,0,0,0,0|2,0,0]=4 4109 B10R1.13 Cc1ccc(cc1)[C@H](N)C 1P0032V0 [0,2,0,0,0,0|2,0,0]=4 4110 B10R1.13 Cc1ccc(cc1)[C@H](N)C 1P00CJ86 [0,2,0,0,0,0|2,0,0]=4 4111 B10R1.13 Cc1ccc(cc1)[C@H](O)C 1P00C0M3 [0,2,0,0,0,0|2,0,0]=4 4112 B10R1.13 Cc1ccc(cn1)C(=O)C 1P007AKR [0,2,0,0,0,0|1,0,1]=4 4113 B10R1.13 Cc1ccc(cn1)C(C)C 1P01ADK0 [0,2,0,0,0,0|1,0,0]=3 4114 B10R1.13 Cc1ccc(cn1)C(N)C 1P006LP4 [0,2,0,0,0,0|1,0,0]=3 4115 B10R1.13 Cc1ccc(cn1)C(O)C 1P0001NO [0,2,0,0,0,0|1,0,0]=3 4116 B10R1.13 Cc1ccc(cn1)[C@@H](N)C 1P00BJS2 [0,2,0,0,0,0|1,0,0]=3 4117 B10R1.13 Cc1ccc(cn1)[C@@H](N)C 1P024G2C [0,2,0,0,0,0|1,0,0]=3 4118 B10R1.13 Cc1ccc(nc1)C(=O)C 1P003GRQ [0,2,0,0,0,0|1,0,1]=4 4119 B10R1.13 Cc1ccc(nc1)C(=O)C 1P00J2IE [0,2,0,0,0,0|1,0,1]=4 4120 B10R1.13 Cc1ccc(nc1)C(N)C 1P0046CL [0,2,0,0,0,0|1,0,0]=3 4121 B10R1.13 Cc1ccc(nc1)C(N)C 1P008XPV [0,2,0,0,0,0|1,0,0]=3 4122 B10R1.13 Cc1ccc(nc1)C(O)C 1P00ICNQ [0,2,0,0,0,0|1,0,0]=3 4123 B10R1.13 Cc1cnc(cn1)C(=O)C 1P0038N6 [0,2,0,0,0,0|0,0,1]=3 4124 B10R1.13 Cc1cnc(cn1)C(=O)N 1P00DCKF [0,2,0,0,0,0|1,0,1]=4 4125 B10R1.13 Cc1cnc(cn1)C(=O)O 1P00IAB5 [0,2,0,0,0,0|1,0,1]=4 4126 B10R1.13 Cc1cnc(cn1)C(Br)C 1P01ALR9 [0,2,0,0,0,0|0,0,0]=2 4127 B10R1.13 Cc1cnc(cn1)C(C)C 1P007LEJ [0,2,0,0,0,0|0,0,0]=2 4128 B10R1.13 Cc1cnc(cn1)C(N)C 1P027TQR [0,2,0,0,0,0|0,0,0]=2 4129 B10R1.13 Cc1cnc(nc1)C(N)C 1P028K95 [0,2,0,0,0,0|2,0,0]=4 4130 B10R1.13 Cc1ncc(cn1)C(N)C 1P01XD68 [0,2,0,0,0,0|2,0,0]=4 4131 B10R1.13 Clc1ccc(cc1)C(Cl)C 1P019YRQ [0,2,0,0,0,0|2,0,0]=4 4132 B10R1.13 Clc1ccc(cn1)C(=C)C 1P00FCW7 [0,2,0,0,0,0|1,0,1]=4 4133 B10R1.13 Clc1ccc(cn1)C(=O)C 1P0033OV [0,2,0,0,0,0|1,0,1]=4 4134 B10R1.13 Clc1ccc(cn1)C(Br)C 1P01BQIM [0,2,0,0,0,0|1,0,0]=3 4135 B10R1.13 Clc1ccc(cn1)C(C)C 1P01A3BJ [0,2,0,0,0,0|1,0,0]=3 4136 B10R1.13 Clc1ccc(cn1)C(Cl)Cl 1P005G92 [0,2,0,0,0,0|2,0,0]=4 4137 B10R1.13 Clc1ccc(cn1)C(F)F 1P00FVMG [0,2,0,0,0,0|2,0,0]=4 4138 B10R1.13 Clc1ccc(cn1)C(N)C 1P009XYF [0,2,0,0,0,0|1,0,0]=3 4139 B10R1.13 Clc1ccc(cn1)C(O)C 1P00C3HJ [0,2,0,0,0,0|1,0,0]=3 4140 B10R1.13 Clc1ccc(cn1)N(C)C 1P00CLS8 [0,2,0,0,0,0|2,0,0]=4 4141 B10R1.13 Clc1ccc(cn1)S(=O)C 1P0288RX [0,2,0,0,0,0|2,0,0]=4 4142 B10R1.13 Clc1ccc(cn1)[C@@H](N)C 1P01KKL8 [0,2,0,0,0,0|1,0,0]=3 4143 B10R1.13 Clc1ccc(cn1)[C@@H](N)C 1P01XGHO [0,2,0,0,0,0|1,0,0]=3 4144 B10R1.13 Clc1ccc(cn1)[C@H](N)C 1P01DUQ4 [0,2,0,0,0,0|1,0,0]=3 4145 B10R1.13 Clc1ccc(cn1)[C@H](N)C 1P01V2JD [0,2,0,0,0,0|1,0,0]=3 4146 B10R1.13 Clc1ccc(cn1)[C@H](N)C 1P01XGHP [0,2,0,0,0,0|1,0,0]=3 4147 B10R1.13 Clc1ccc(nc1)C(=O)C 1P006R8V [0,2,0,0,0,0|1,0,1]=4 4148 B10R1.13 Clc1ccc(nc1)C(Br)C 1P028OW9 [0,2,0,0,0,0|1,0,0]=3 4149 B10R1.13 Clc1ccc(nc1)C(F)F 1P01K0F5 [0,2,0,0,0,0|2,0,0]=4 4150 B10R1.13 Clc1ccc(nc1)C(N)C 1P01AGR4 [0,2,0,0,0,0|1,0,0]=3 4151 B10R1.13 Clc1ccc(nc1)C(O)C 1P01B4TW [0,2,0,0,0,0|1,0,0]=3 4152 B10R1.13 Clc1ccc(nc1)N(C)C 1P002SEQ [0,2,0,0,0,0|2,0,0]=4 4153 B10R1.13 Clc1ccc(nc1)[C@@H](N)C 1P00H2T0 [0,2,0,0,0,0|1,0,0]=3 4154 B10R1.13 Clc1ccc(nc1)[C@@H](N)C 1P01AGOM [0,2,0,0,0,0|1,0,0]=3 4155 B10R1.13 Clc1ccc(nc1)[C@@H](O)C 1P01AGOI [0,2,0,0,0,0|1,0,0]=3 4156 B10R1.13 Clc1ccc(nc1)[C@H](N)C 1P01AGO6 [0,2,0,0,0,0|1,0,0]=3 4157 B10R1.13 Clc1ccc(nc1)[C@H](O)C 1P01AGOS [0,2,0,0,0,0|1,0,0]=3 4158 B10R1.13 Clc1cnc(cn1)C(=O)Cl 1P004C95 [0,2,0,0,0,0|1,0,1]=4 4159 B10R1.13 Clc1cnc(nc1)C(Cl)C 1P01EMFH [0,2,0,0,0,0|2,0,0]=4 4160 B10R1.13 FC(c1ncc(nc1)Cl)F 1P028ROD [0,2,0,0,0,0|1,0,0]=3 4161 B10R1.13 FC(c1ncc(nc1)N)F 1P01FLSO [0,2,0,0,0,0|1,0,0]=3 4162 B10R1.13 Fc1ccc(cn1)C(=O)C 1P004Y7M [0,2,0,0,0,0|1,0,1]=4 4163 B10R1.13 Fc1ccc(cn1)C(Br)C 1P01BYAE [0,2,0,0,0,0|1,0,0]=3 4164 B10R1.13 Fc1ccc(cn1)C(C)C 1P00JXFK [0,2,0,0,0,0|1,0,0]=3 4165 B10R1.13 Fc1ccc(cn1)C(N)C 1P01BSXW [0,2,0,0,0,0|1,0,0]=3 4166 B10R1.13 Fc1ccc(cn1)C(O)C 1P0096DG [0,2,0,0,0,0|1,0,0]=3 4167 B10R1.13 Fc1ccc(cn1)N(C)C 1P00I1QS [0,2,0,0,0,0|2,0,0]=4 4168 B10R1.13 Fc1ccc(nc1)C(=O)C 1P00GSNJ [0,2,0,0,0,0|1,0,1]=4 4169 B10R1.13 Fc1ccc(nc1)C(=O)C 1P028O6Q [0,2,0,0,0,0|1,0,1]=4 4170 B10R1.13 Fc1ccc(nc1)C(N)C 1P01B583 [0,2,0,0,0,0|1,0,0]=3 4171 B10R1.13 Fc1ccc(nc1)C(O)C 1P01BAHP [0,2,0,0,0,0|1,0,0]=3 4172 B10R1.13 Fc1ccc(nc1)[C@@H](N)C 1P00H1GE [0,2,0,0,0,0|1,0,0]=3 4173 B10R1.13 Fc1ccc(nc1)[C@@H](N)C 1P00HG9L [0,2,0,0,0,0|1,0,0]=3 4174 B10R1.13 Fc1ccc(nc1)[C@@H](O)C 1P01C38P [0,2,0,0,0,0|1,0,0]=3 4175 B10R1.13 Fc1ccc(nc1)[C@H](N)C 1P00HFRM [0,2,0,0,0,0|1,0,0]=3 4176 B10R1.13 Fc1ccc(nc1)[C@H](N)C 1P01C38A [0,2,0,0,0,0|1,0,0]=3 4177 B10R1.13 Fc1ccc(nc1)[C@H](O)C 1P01C38M [0,2,0,0,0,0|1,0,0]=3 4178 B10R1.13 Ic1ccc(nc1)C(F)F 1P01WKQL [0,2,0,0,0,0|2,0,0]=4 4179 B10R1.13 Ic1ccc(nc1)N(C)C 1P00CJ8Q [0,2,0,0,0,0|2,0,0]=4 4180 B10R1.13 NC(=O)c1cnc(cn1)Br 1P00CL5K [0,2,0,0,0,0|1,0,1]=4 4181 B10R1.13 NC(=O)c1cnc(cn1)Cl 1P007RCN [0,2,0,0,0,0|1,0,1]=4 4182 B10R1.13 Nc1ccc(cc1)C(N)C 1P00GVQT [0,2,0,0,0,0|2,0,0]=4 4183 B10R1.13 Nc1ccc(cc1)[C@@H](N)C 1P00BH2Y [0,2,0,0,0,0|2,0,0]=4 4184 B10R1.13 Nc1ccc(cc1)[C@@H](N)C 1P00FEPL [0,2,0,0,0,0|2,0,0]=4 4185 B10R1.13 Nc1ccc(cc1)[C@H](N)C 1P000WVW [0,2,0,0,0,0|2,0,0]=4 4186 B10R1.13 Nc1ccc(cc1)[C@H](N)C 1P00FCWH [0,2,0,0,0,0|2,0,0]=4 4187 B10R1.13 Nc1ccc(cn1)C(=O)C 1P002BVW [0,2,0,0,0,0|1,0,1]=4 4188 B10R1.13 Nc1ccc(cn1)C(C)C 1P00EDI5 [0,2,0,0,0,0|1,0,0]=3 4189 B10R1.13 Nc1ccc(cn1)C(F)F 1P00HGEJ [0,2,0,0,0,0|2,0,0]=4 4190 B10R1.13 Nc1ccc(cn1)N(C)C 1P0077CP [0,2,0,0,0,0|2,0,0]=4 4191 B10R1.13 Nc1ccc(cn1)N(C)C 1P01B6SB [0,2,0,0,0,0|2,0,0]=4 4192 B10R1.13 Nc1ccc(cn1)S(=O)C 1P01ANSF [0,2,0,0,0,0|2,0,0]=4 4193 B10R1.13 Nc1ccc(nc1)C(=O)C 1P00DIDZ [0,2,0,0,0,0|1,0,1]=4 4194 B10R1.13 Nc1ccc(nc1)C(C)C 1P0037ZE [0,2,0,0,0,0|1,0,0]=3 4195 B10R1.13 Nc1ccc(nc1)C(C)C 1P01JV67 [0,2,0,0,0,0|1,0,0]=3 4196 B10R1.13 Nc1ccc(nc1)C(F)F 1P006CZL [0,2,0,0,0,0|2,0,0]=4 4197 B10R1.13 Nc1ccc(nc1)C(F)F 1P01FJU6 [0,2,0,0,0,0|2,0,0]=4 4198 B10R1.13 Nc1ccc(nc1)N(C)C 1P00BC5P [0,2,0,0,0,0|2,0,0]=4 4199 B10R1.13 Nc1ccc(nc1)N(C)C 1P00DD5Y [0,2,0,0,0,0|2,0,0]=4 4200 B10R1.13 Nc1ccc(nc1)N(C)C 1P01F9BJ [0,2,0,0,0,0|2,0,0]=4 4201 B10R1.13 Nc1cnc(cn1)C(=O)N 1P0040AP [0,2,0,0,0,0|1,0,1]=4 4202 B10R1.13 Nc1cnc(cn1)C(=O)O 1P003MV9 [0,2,0,0,0,0|1,0,1]=4 4203 B10R1.13 Nc1cnc(cn1)C(=S)N 1P028I49 [0,2,0,0,0,0|1,0,1]=4 4204 B10R1.13 OC(=O)c1cnc(cn1)Br 1P004M79 [0,2,0,0,0,0|1,0,1]=4 4205 B10R1.13 OC(=O)c1cnc(cn1)Cl 1P003N5F [0,2,0,0,0,0|1,0,1]=4 4206 B10R1.13 OC(=O)c1cnc(cn1)S 1P028V4X [0,2,0,0,0,0|1,0,1]=4 4207 B10R1.13 Oc1ccc(cc1)C(O)C 1P00BCJG [0,2,0,0,0,0|2,0,0]=4 4208 B10R1.13 Oc1ccc(cc1)[C@@H](O)C 1P01AV7H [0,2,0,0,0,0|2,0,0]=4 4209 B10R1.13 Oc1ccc(cc1)[C@H](O)C 1P01AV7P [0,2,0,0,0,0|2,0,0]=4 4210 B10R1.13 Oc1ccc(cn1)C(=O)C 1P008ZI1 [0,2,0,0,0,0|1,0,1]=4 4211 B10R1.13 Oc1ccc(cn1)C(N)C 1P02882C [0,2,0,0,0,0|1,0,0]=3 4212 B10R1.13 Oc1ccc(cn1)[C@@H](N)C 1P028N38 [0,2,0,0,0,0|1,0,0]=3 4213 B10R1.13 Oc1ccc(cn1)[C@H](N)C 1P028LCQ [0,2,0,0,0,0|1,0,0]=3 4214 B10R1.13 Oc1ccc(nc1)C(=O)C 1P00FGUG [0,2,0,0,0,0|1,0,1]=4 4215 B10R1.13 Oc1ccc(nc1)C(F)F 1P000OTZ [0,2,0,0,0,0|2,0,0]=4 4216 B10R1.13 Oc1ccc(nc1)C(F)F 1P01FPDL [0,2,0,0,0,0|2,0,0]=4 4217 B10R1.13 Oc1cnc(cn1)C(=O)O 1P00BZZO [0,2,0,0,0,0|1,0,1]=4 4218 B10R1.13 Oc1cnc(nc1)C(O)C 1P00HW74 [0,2,0,0,0,0|2,0,0]=4 4219 B10R1.13 Oc1cnc(nc1)[C@@H](O)C 1P00HXXR [0,2,0,0,0,0|2,0,0]=4 4220 B10R1.13 Oc1cnc(nc1)[C@H](O)C 1P019FJ6 [0,2,0,0,0,0|2,0,0]=4 4221 B10R1.13 Sc1ccc(nc1)N(C)C 1P00G278 [0,2,0,0,0,0|2,0,0]=4 4222 B10R1.13 [O-][N+](=O)c1cnc(cn1)Br 1P000E7J [0,2,0,0,0,0|2,0,0]=4 4223 B10R1.13 [O-][N+](=O)c1cnc(cn1)Cl 1P008CVZ [0,2,0,0,0,0|2,0,0]=4 4224 B10R1.25 BrCc1ccc(nc1Cl)Br 1P027UEY [0,2,0,0,0,0|2,0,0]=4 4225 B10R1.25 BrCc1ccc(nc1F)Br 1P01DZ03 [0,2,0,0,0,0|2,0,0]=4 4226 B10R1.25 BrCc1ncc(cc1C)Br 1P0289QP [0,2,0,0,0,0|2,0,0]=4 4227 B10R1.25 BrCc1ncc(cc1Cl)F 1P027V4J [0,2,0,0,0,0|2,0,0]=4 4228 B10R1.25 BrCc1ncc(cc1F)F 1P01KYWV [0,2,0,0,0,0|2,0,0]=4 4229 B10R1.25 CCc1ccc(cc1Br)N 1P00DLBO [0,2,0,0,0,0|2,0,0]=4 4230 B10R1.25 CCc1ccc(cc1Br)O 1P00DI0S [0,2,0,0,0,0|2,0,0]=4 4231 B10R1.25 CCc1ccc(cc1C)C 1P003LSU [0,2,0,0,0,0|2,0,0]=4 4232 B10R1.25 CCc1ccc(cc1C)I 1P01C9IP [0,2,0,0,0,0|2,0,0]=4 4233 B10R1.25 CCc1ccc(cc1C)N 1P01A4L1 [0,2,0,0,0,0|2,0,0]=4 4234 B10R1.25 CCc1ccc(cc1Cl)Br 1P01BZBV [0,2,0,0,0,0|2,0,0]=4 4235 B10R1.25 CCc1ccc(cc1Cl)N 1P0039TX [0,2,0,0,0,0|2,0,0]=4 4236 B10R1.25 CCc1ccc(cc1F)Br 1P00EOHZ [0,2,0,0,0,0|2,0,0]=4 4237 B10R1.25 CCc1ccc(cc1F)N 1P01A2Q3 [0,2,0,0,0,0|2,0,0]=4 4238 B10R1.25 CCc1ccc(cc1F)O 1P00C6UD [0,2,0,0,0,0|2,0,0]=4 4239 B10R1.25 CCc1ccc(cc1I)N 1P028VME [0,2,0,0,0,0|2,0,0]=4 4240 B10R1.25 CCc1ccc(cc1N)Br 1P001LY9 [0,2,0,0,0,0|2,0,0]=4 4241 B10R1.25 CCc1ccc(cc1N)C 1P01I5UF [0,2,0,0,0,0|2,0,0]=4 4242 B10R1.25 CCc1ccc(cc1N)Cl 1P00I83Z [0,2,0,0,0,0|2,0,0]=4 4243 B10R1.25 CCc1ccc(cc1N)F 1P028EMP [0,2,0,0,0,0|2,0,0]=4 4244 B10R1.25 CCc1ccc(cc1O)Br 1P0280XI [0,2,0,0,0,0|2,0,0]=4 4245 B10R1.25 CCc1ccc(cc1O)C 1P001YOX [0,2,0,0,0,0|2,0,0]=4 4246 B10R1.25 CCc1ccc(cc1O)N 1P028YL3 [0,2,0,0,0,0|2,0,0]=4 4247 B10R1.25 CCc1ccc(cc1O)O 1P002VGX [0,2,0,0,0,0|2,0,0]=4 4248 B10R1.25 CCc1ccc(nc1Cl)N 1P024ZHV [0,2,0,0,0,0|1,0,0]=3 4249 B10R1.25 CCc1ccc(nc1N)C 1P003GU7 [0,2,0,0,0,0|1,0,0]=3 4250 B10R1.25 CCc1cnc(cc1Br)C 1P0068JY [0,2,0,0,0,0|1,0,0]=3 4251 B10R1.25 CCc1cnc(nc1Cl)Cl 1P00CJ7J [0,2,0,0,0,0|2,0,0]=4 4252 B10R1.25 CCc1cnc(nc1O)N 1P00C2H9 [0,2,0,0,0,0|2,0,0]=4 4253 B10R1.25 CCc1ncc(cc1Br)N 1P01KKPX [0,2,0,0,0,0|1,0,0]=3 4254 B10R1.25 CCc1ncc(cc1C)C 1P007TY5 [0,2,0,0,0,0|1,0,0]=3 4255 B10R1.25 CCc1ncc(cc1N)Br 1P0099SK [0,2,0,0,0,0|1,0,0]=3 4256 B10R1.25 CCc1ncc(cc1N)F 1P01DT9F [0,2,0,0,0,0|1,0,0]=3 4257 B10R1.25 CCc1ncc(nc1C)C 1P00HVY7 [0,2,0,0,0,0|0,0,0]=2 4258 B10R1.25 CCc1ncc(nc1Cl)Cl 1P000WS7 [0,2,0,0,0,0|0,0,0]=2 4259 B10R1.25 CCn1ccc(=O)nc1S 1P01A96M [0,2,0,0,0,0|2,0,0]=4 4260 B10R1.25 CNc1ccc(nc1Br)Br 1P01MYCF [0,2,0,0,0,0|2,0,0]=4 4261 B10R1.25 CNc1ccc(nc1Br)Cl 1P028NH6 [0,2,0,0,0,0|2,0,0]=4 4262 B10R1.25 CNc1ccc(nc1Cl)Br 1P0280LR [0,2,0,0,0,0|2,0,0]=4 4263 B10R1.25 CNc1cnc(cc1C)C 1P028GBT [0,2,0,0,0,0|2,0,0]=4 4264 B10R1.25 CNc1cnc(cc1N)Br 1P00HGYQ [0,2,0,0,0,0|2,0,0]=4 4265 B10R1.25 CNc1cnc(cc1N)Cl 1P01XCXG [0,2,0,0,0,0|2,0,0]=4 4266 B10R1.25 CNc1ncc(cc1Br)Br 1P01XBGA [0,2,0,0,0,0|2,0,0]=4 4267 B10R1.25 CNc1ncc(cc1C)Br 1P002P3D [0,2,0,0,0,0|2,0,0]=4 4268 B10R1.25 CNc1ncc(cc1Cl)Cl 1P01A1WP [0,2,0,0,0,0|2,0,0]=4 4269 B10R1.25 CNc1ncc(cc1F)F 1P01BHK9 [0,2,0,0,0,0|2,0,0]=4 4270 B10R1.25 CNc1ncc(cc1F)F 1P01BHPP [0,2,0,0,0,0|2,0,0]=4 4271 B10R1.25 CNc1ncc(cc1N)Br 1P00IG6Y [0,2,0,0,0,0|2,0,0]=4 4272 B10R1.25 CNc1ncc(nc1Br)Br 1P00IG7I [0,2,0,0,0,0|1,0,0]=3 4273 B10R1.25 CNc1ncc(nc1Cl)Br 1P01JZK6 [0,2,0,0,0,0|1,0,0]=3 4274 B10R1.25 COc1ccc(nc1Br)Br 1P00GAFJ [0,2,0,0,0,0|2,0,0]=4 4275 B10R1.25 COc1ccc(nc1Br)C 1P00BD1B [0,2,0,0,0,0|2,0,0]=4 4276 B10R1.25 COc1ccc(nc1Br)Cl 1P000OVO [0,2,0,0,0,0|2,0,0]=4 4277 B10R1.25 COc1ccc(nc1Br)F 1P000OVA [0,2,0,0,0,0|2,0,0]=4 4278 B10R1.25 COc1ccc(nc1Br)I 1P00C0LP [0,2,0,0,0,0|2,0,0]=4 4279 B10R1.25 COc1ccc(nc1Br)N 1P005K1T [0,2,0,0,0,0|2,0,0]=4 4280 B10R1.25 COc1ccc(nc1Cl)Br 1P01ANR5 [0,2,0,0,0,0|2,0,0]=4 4281 B10R1.25 COc1ccc(nc1Cl)C 1P0029XJ [0,2,0,0,0,0|2,0,0]=4 4282 B10R1.25 COc1ccc(nc1Cl)Cl 1P00HGLX [0,2,0,0,0,0|2,0,0]=4 4283 B10R1.25 COc1ccc(nc1Cl)I 1P008ZWG [0,2,0,0,0,0|2,0,0]=4 4284 B10R1.25 COc1ccc(nc1Cl)N 1P008AW4 [0,2,0,0,0,0|2,0,0]=4 4285 B10R1.25 COc1ccc(nc1Cl)N 1P01JVEZ [0,2,0,0,0,0|2,0,0]=4 4286 B10R1.25 COc1ccc(nc1F)Br 1P00G6QY [0,2,0,0,0,0|2,0,0]=4 4287 B10R1.25 COc1ccc(nc1F)F 1P021Q3G [0,2,0,0,0,0|2,0,0]=4 4288 B10R1.25 COc1ccc(nc1F)N 1P020LL4 [0,2,0,0,0,0|2,0,0]=4 4289 B10R1.25 COc1ccc(nc1I)Cl 1P00A18I [0,2,0,0,0,0|2,0,0]=4 4290 B10R1.25 COc1ccc(nc1I)I 1P00DJEE [0,2,0,0,0,0|2,0,0]=4 4291 B10R1.25 COc1ccc(nc1N)Br 1P006EXN [0,2,0,0,0,0|2,0,0]=4 4292 B10R1.25 COc1ccc(nc1N)C 1P00DJTZ [0,2,0,0,0,0|2,0,0]=4 4293 B10R1.25 COc1ccc(nc1N)F 1P01FSNR [0,2,0,0,0,0|2,0,0]=4 4294 B10R1.25 COc1cnc(cc1Br)Br 1P00IDUP [0,2,0,0,0,0|2,0,0]=4 4295 B10R1.25 COc1cnc(cc1Br)C 1P000OUS [0,2,0,0,0,0|2,0,0]=4 4296 B10R1.25 COc1cnc(cc1Br)C 1P01BEOB [0,2,0,0,0,0|2,0,0]=4 4297 B10R1.25 COc1cnc(cc1Br)Cl 1P0006TR [0,2,0,0,0,0|2,0,0]=4 4298 B10R1.25 COc1cnc(cc1Cl)Br 1P000OVC [0,2,0,0,0,0|2,0,0]=4 4299 B10R1.25 COc1cnc(cc1Cl)Cl 1P00HHE3 [0,2,0,0,0,0|2,0,0]=4 4300 B10R1.25 COc1cnc(cc1Cl)N 1P003AJX [0,2,0,0,0,0|2,0,0]=4 4301 B10R1.25 COc1cnc(cc1F)N 1P0223HN [0,2,0,0,0,0|2,0,0]=4 4302 B10R1.25 COc1cnc(cc1I)Cl 1P0095WZ [0,2,0,0,0,0|2,0,0]=4 4303 B10R1.25 COc1cnc(cc1I)F 1P01C2CN [0,2,0,0,0,0|2,0,0]=4 4304 B10R1.25 COc1cnc(cc1N)Br 1P001HGW [0,2,0,0,0,0|2,0,0]=4 4305 B10R1.25 COc1cnc(cc1N)Cl 1P000JT2 [0,2,0,0,0,0|2,0,0]=4 4306 B10R1.25 COc1cnc(cc1N)F 1P01BWH4 [0,2,0,0,0,0|2,0,0]=4 4307 B10R1.25 COc1cnc(cc1O)Br 1P00715T [0,2,0,0,0,0|2,0,0]=4 4308 B10R1.25 COc1cnc(cc1O)Cl 1P0095P7 [0,2,0,0,0,0|2,0,0]=4 4309 B10R1.25 COc1ncc(cc1Br)Br 1P007MAN [0,2,0,0,0,0|2,0,0]=4 4310 B10R1.25 COc1ncc(cc1Br)C 1P0062V6 [0,2,0,0,0,0|2,0,0]=4 4311 B10R1.25 COc1ncc(cc1Br)Cl 1P0086R0 [0,2,0,0,0,0|2,0,0]=4 4312 B10R1.25 COc1ncc(cc1Br)F 1P003434 [0,2,0,0,0,0|2,0,0]=4 4313 B10R1.25 COc1ncc(cc1Br)I 1P0024AE [0,2,0,0,0,0|2,0,0]=4 4314 B10R1.25 COc1ncc(cc1Br)N 1P00D98V [0,2,0,0,0,0|2,0,0]=4 4315 B10R1.25 COc1ncc(cc1Br)S 1P0282BW [0,2,0,0,0,0|2,0,0]=4 4316 B10R1.25 COc1ncc(cc1C)Br 1P003MY3 [0,2,0,0,0,0|2,0,0]=4 4317 B10R1.25 COc1ncc(cc1C)C 1P01AUVZ [0,2,0,0,0,0|2,0,0]=4 4318 B10R1.25 COc1ncc(cc1C)F 1P00GV4H [0,2,0,0,0,0|2,0,0]=4 4319 B10R1.25 COc1ncc(cc1C)N 1P008FPQ [0,2,0,0,0,0|2,0,0]=4 4320 B10R1.25 COc1ncc(cc1C)O 1P0015WC [0,2,0,0,0,0|2,0,0]=4 4321 B10R1.25 COc1ncc(cc1Cl)Br 1P004X5S [0,2,0,0,0,0|2,0,0]=4 4322 B10R1.25 COc1ncc(cc1Cl)C 1P000JTZ [0,2,0,0,0,0|2,0,0]=4 4323 B10R1.25 COc1ncc(cc1Cl)Cl 1P00HU8R [0,2,0,0,0,0|2,0,0]=4 4324 B10R1.25 COc1ncc(cc1Cl)I 1P022IOZ [0,2,0,0,0,0|2,0,0]=4 4325 B10R1.25 COc1ncc(cc1Cl)N 1P001QM3 [0,2,0,0,0,0|2,0,0]=4 4326 B10R1.25 COc1ncc(cc1Cl)S 1P0281SD [0,2,0,0,0,0|2,0,0]=4 4327 B10R1.25 COc1ncc(cc1F)Br 1P000MHG [0,2,0,0,0,0|2,0,0]=4 4328 B10R1.25 COc1ncc(cc1F)Cl 1P0049J9 [0,2,0,0,0,0|2,0,0]=4 4329 B10R1.25 COc1ncc(cc1F)F 1P000ECW [0,2,0,0,0,0|2,0,0]=4 4330 B10R1.25 COc1ncc(cc1F)N 1P004AV1 [0,2,0,0,0,0|2,0,0]=4 4331 B10R1.25 COc1ncc(cc1F)O 1P00A75S [0,2,0,0,0,0|2,0,0]=4 4332 B10R1.25 COc1ncc(cc1I)Br 1P003MZ4 [0,2,0,0,0,0|2,0,0]=4 4333 B10R1.25 COc1ncc(cc1N)Br 1P003JCX [0,2,0,0,0,0|2,0,0]=4 4334 B10R1.25 COc1ncc(cc1N)C 1P00BB1U [0,2,0,0,0,0|2,0,0]=4 4335 B10R1.25 COc1ncc(cc1N)Cl 1P004AV0 [0,2,0,0,0,0|2,0,0]=4 4336 B10R1.25 COc1ncc(cc1N)F 1P009X09 [0,2,0,0,0,0|2,0,0]=4 4337 B10R1.25 COc1ncc(cc1O)Br 1P009G2P [0,2,0,0,0,0|2,0,0]=4 4338 B10R1.25 COc1ncc(cc1O)C 1P009X7H [0,2,0,0,0,0|2,0,0]=4 4339 B10R1.25 COc1ncc(cc1O)F 1P009DMB [0,2,0,0,0,0|2,0,0]=4 4340 B10R1.25 COc1ncc(cc1S)Br 1P028S8W [0,2,0,0,0,0|2,0,0]=4 4341 B10R1.25 COc1ncc(cc1S)Cl 1P027XH4 [0,2,0,0,0,0|2,0,0]=4 4342 B10R1.25 COc1ncc(nc1Br)Br 1P008WCU [0,2,0,0,0,0|1,0,0]=3 4343 B10R1.25 COc1ncc(nc1C)C 1P006I0F [0,2,0,0,0,0|1,0,0]=3 4344 B10R1.25 COc1ncc(nc1Cl)Cl 1P00HX8W [0,2,0,0,0,0|1,0,0]=3 4345 B10R1.25 COc1ncc(nc1N)Cl 1P0038L3 [0,2,0,0,0,0|1,0,0]=3 4346 B10R1.25 CSc1ncc(nc1C)C 1P003BF8 [0,2,0,0,0,0|1,0,0]=3 4347 B10R1.25 CSc1ncc(nc1Cl)Cl 1P00HYGV [0,2,0,0,0,0|1,0,0]=3 4348 B10R1.25 Cc1cc(Br)c(cn1)CBr 1P0283QT [0,2,0,0,0,0|2,0,0]=4 4349 B10R1.25 Cc1cc(Br)c(cn1)CO 1P027WJN [0,2,0,0,0,0|2,0,0]=4 4350 B10R1.25 Cc1cc(Br)ncc1CCl 1P0287UJ [0,2,0,0,0,0|2,0,0]=4 4351 B10R1.25 Cc1cc(Br)ncc1OC 1P01B1TZ [0,2,0,0,0,0|2,0,0]=4 4352 B10R1.25 Cc1cc(C)ncc1CBr 1P0284LN [0,2,0,0,0,0|2,0,0]=4 4353 B10R1.25 Cc1cc(C)ncc1CCl 1P028DZR [0,2,0,0,0,0|2,0,0]=4 4354 B10R1.25 Cc1cc(C)ncc1CN 1P01C2CD [0,2,0,0,0,0|2,0,0]=4 4355 B10R1.25 Cc1cc(C)ncc1CO 1P028HQ6 [0,2,0,0,0,0|2,0,0]=4 4356 B10R1.25 Cc1cc(Cl)ncc1CN 1P028S1A [0,2,0,0,0,0|2,0,0]=4 4357 B10R1.25 Cc1cc(Cl)ncc1CO 1P009YMK [0,2,0,0,0,0|2,0,0]=4 4358 B10R1.25 Cc1cc(Cl)ncc1OC 1P00HHDW [0,2,0,0,0,0|2,0,0]=4 4359 B10R1.25 Cc1cc(F)ncc1CCl 1P00JT2Q [0,2,0,0,0,0|2,0,0]=4 4360 B10R1.25 Cc1cc(F)ncc1CN 1P028JX2 [0,2,0,0,0,0|2,0,0]=4 4361 B10R1.25 Cc1cc(N)c(cn1)CO 1P001PWE [0,2,0,0,0,0|2,0,0]=4 4362 B10R1.25 Cc1ccc(c(n1)Br)CBr 1P00IINH [0,2,0,0,0,0|2,0,0]=4 4363 B10R1.25 Cc1ccc(c(n1)Cl)CBr 1P00A62V [0,2,0,0,0,0|2,0,0]=4 4364 B10R1.25 Cc1ccc(c(n1)Cl)CCl 1P00DJSK [0,2,0,0,0,0|2,0,0]=4 4365 B10R1.25 Cc1ccc(c(n1)Cl)CCl 1P028FYQ [0,2,0,0,0,0|2,0,0]=4 4366 B10R1.25 Cc1ccc(c(n1)Cl)CO 1P00FH6R [0,2,0,0,0,0|2,0,0]=4 4367 B10R1.25 Cc1ccc(c(n1)Cl)CO 1P028PBM [0,2,0,0,0,0|2,0,0]=4 4368 B10R1.25 Cc1cnc(c(n1)Cl)C#N 1P002391 [0,2,0,0,0,0|1,0,1]=4 4369 B10R1.25 Cc1cnc(c(n1)N)C#N 1P00ENMZ [0,2,0,0,0,0|1,0,1]=4 4370 B10R1.25 Cc1nc(=O)ccn1CC 1P028S3A [0,2,0,0,0,0|2,0,0]=4 4371 B10R1.25 Cc1nc(Br)ccc1CCl 1P0095OQ [0,2,0,0,0,0|2,0,0]=4 4372 B10R1.25 Cc1nc(Br)ccc1OC 1P004Y4C [0,2,0,0,0,0|2,0,0]=4 4373 B10R1.25 Cc1nc(C)ccc1CCl 1P01ADI3 [0,2,0,0,0,0|2,0,0]=4 4374 B10R1.25 Cc1nc(C)ccc1CO 1P00EKF5 [0,2,0,0,0,0|2,0,0]=4 4375 B10R1.25 Cc1nc(C)cnc1C=O 1P028JD8 [0,2,0,0,0,0|1,0,1]=4 4376 B10R1.25 Cc1nc(C)cnc1CCl 1P006JQR [0,2,0,0,0,0|1,0,0]=3 4377 B10R1.25 Cc1nc(Cl)ccc1CO 1P0097FR [0,2,0,0,0,0|2,0,0]=4 4378 B10R1.25 Cc1nc(Cl)ccc1OC 1P000U2H [0,2,0,0,0,0|2,0,0]=4 4379 B10R1.25 Cc1nc(Cl)cnc1C#N 1P009FI3 [0,2,0,0,0,0|1,0,1]=4 4380 B10R1.25 Cc1nc(F)ccc1CBr 1P0290NP [0,2,0,0,0,0|2,0,0]=4 4381 B10R1.25 Cc1nc(F)ccc1CN 1P028RDG [0,2,0,0,0,0|2,0,0]=4 4382 B10R1.25 Cc1nc(F)ccc1CO 1P00GV6T [0,2,0,0,0,0|2,0,0]=4 4383 B10R1.25 Cc1nc(N)cnc1C#N 1P009FS5 [0,2,0,0,0,0|1,0,1]=4 4384 B10R1.25 Cc1nc(O)ccc1OC 1P00CMLN [0,2,0,0,0,0|2,0,0]=4 4385 B10R1.25 ClCc1ccc(nc1C)Cl 1P00959I [0,2,0,0,0,0|2,0,0]=4 4386 B10R1.25 ClCc1ccc(nc1C)Cl 1P01A3CN [0,2,0,0,0,0|2,0,0]=4 4387 B10R1.25 ClCc1ccc(nc1Cl)Cl 1P00BYLH [0,2,0,0,0,0|2,0,0]=4 4388 B10R1.25 ClCc1cnc(cc1C)Cl 1P028LJ2 [0,2,0,0,0,0|2,0,0]=4 4389 B10R1.25 ClCc1cnc(cc1Cl)Cl 1P008PTI [0,2,0,0,0,0|2,0,0]=4 4390 B10R1.25 ClCc1ncc(cc1Br)C 1P00A0JU [0,2,0,0,0,0|2,0,0]=4 4391 B10R1.25 ClCc1ncc(cc1Br)Cl 1P00A62T [0,2,0,0,0,0|2,0,0]=4 4392 B10R1.25 ClCc1ncc(cc1C)C 1P0036GD [0,2,0,0,0,0|2,0,0]=4 4393 B10R1.25 ClCc1ncc(cc1Cl)Br 1P01B30J [0,2,0,0,0,0|2,0,0]=4 4394 B10R1.25 ClCc1ncc(cc1Cl)Cl 1P0095TW [0,2,0,0,0,0|2,0,0]=4 4395 B10R1.25 ClCc1ncc(cc1Cl)F 1P00AAIE [0,2,0,0,0,0|2,0,0]=4 4396 B10R1.25 ClCc1ncc(cc1F)Br 1P009FC0 [0,2,0,0,0,0|2,0,0]=4 4397 B10R1.25 ClCc1ncc(cc1F)Cl 1P00AAGU [0,2,0,0,0,0|2,0,0]=4 4398 B10R1.25 ClCc1ncc(cc1F)F 1P0017GV [0,2,0,0,0,0|2,0,0]=4 4399 B10R1.25 Clc1cc(Br)c(cn1)CBr 1P01K123 [0,2,0,0,0,0|2,0,0]=4 4400 B10R1.25 Clc1cc(Cl)ncc1CBr 1P00IXFL [0,2,0,0,0,0|2,0,0]=4 4401 B10R1.25 Clc1nc(Cl)cnc1C#N 1P003J2S [0,2,0,0,0,0|1,0,1]=4 4402 B10R1.25 Clc1nc(Cl)cnc1C=O 1P0012YY [0,2,0,0,0,0|1,0,1]=4 4403 B10R1.25 Clc1nc(Cl)cnc1CBr 1P01AG86 [0,2,0,0,0,0|1,0,0]=3 4404 B10R1.25 Fc1ccc(c(n1)Cl)CBr 1P0251II [0,2,0,0,0,0|2,0,0]=4 4405 B10R1.25 NCc1ccc(nc1Br)F 1P01ELVW [0,2,0,0,0,0|2,0,0]=4 4406 B10R1.25 NCc1ccc(nc1C)N 1P00BGO3 [0,2,0,0,0,0|2,0,0]=4 4407 B10R1.25 NCc1ccc(nc1Cl)Br 1P027UCH [0,2,0,0,0,0|2,0,0]=4 4408 B10R1.25 NCc1ccc(nc1Cl)Cl 1P01XC9I [0,2,0,0,0,0|2,0,0]=4 4409 B10R1.25 NCc1ccc(nc1F)F 1P023Q3O [0,2,0,0,0,0|2,0,0]=4 4410 B10R1.25 NCc1cnc(cc1C)C 1P00J1GS [0,2,0,0,0,0|2,0,0]=4 4411 B10R1.25 NCc1cnc(cc1Cl)Cl 1P009Z8L [0,2,0,0,0,0|2,0,0]=4 4412 B10R1.25 NCc1n[nH]c(nc1=O)N 1P000LBX [0,2,0,0,0,0|2,0,0]=4 4413 B10R1.25 NCc1ncc(cc1Br)Br 1P028T3E [0,2,0,0,0,0|2,0,0]=4 4414 B10R1.25 NCc1ncc(cc1Br)Cl 1P000P2P [0,2,0,0,0,0|2,0,0]=4 4415 B10R1.25 NCc1ncc(cc1Br)F 1P009DUP [0,2,0,0,0,0|2,0,0]=4 4416 B10R1.25 NCc1ncc(cc1C)Br 1P000P2Q [0,2,0,0,0,0|2,0,0]=4 4417 B10R1.25 NCc1ncc(cc1C)Br 1P00IFQN [0,2,0,0,0,0|2,0,0]=4 4418 B10R1.25 NCc1ncc(cc1C)C 1P000P3S [0,2,0,0,0,0|2,0,0]=4 4419 B10R1.25 NCc1ncc(cc1C)C 1P01BK0U [0,2,0,0,0,0|2,0,0]=4 4420 B10R1.25 NCc1ncc(cc1C)Cl 1P009DU9 [0,2,0,0,0,0|2,0,0]=4 4421 B10R1.25 NCc1ncc(cc1Cl)Br 1P00HWMA [0,2,0,0,0,0|2,0,0]=4 4422 B10R1.25 NCc1ncc(cc1Cl)Br 1P01A073 [0,2,0,0,0,0|2,0,0]=4 4423 B10R1.25 NCc1ncc(cc1Cl)Cl 1P000DPT [0,2,0,0,0,0|2,0,0]=4 4424 B10R1.25 NCc1ncc(cc1Cl)F 1P001HAU [0,2,0,0,0,0|2,0,0]=4 4425 B10R1.25 NCc1ncc(cc1F)Br 1P000P2V [0,2,0,0,0,0|2,0,0]=4 4426 B10R1.25 NCc1ncc(cc1F)Cl 1P000P2T [0,2,0,0,0,0|2,0,0]=4 4427 B10R1.25 NCc1ncc(cc1F)F 1P008UR0 [0,2,0,0,0,0|2,0,0]=4 4428 B10R1.25 NCc1ncc(cc1F)F 1P00H1IE [0,2,0,0,0,0|2,0,0]=4 4429 B10R1.25 NCc1ncc(nc1Cl)Cl 1P01FMCA [0,2,0,0,0,0|1,0,0]=3 4430 B10R1.25 NNc1ncc(nc1Cl)Br 1P00GNES [0,2,0,0,0,0|2,0,0]=4 4431 B10R1.25 Nc1cc(Cl)ncc1CO 1P0051IB [0,2,0,0,0,0|2,0,0]=4 4432 B10R1.25 Nc1cnc(c(n1)Cl)C#C 1P027XG2 [0,2,0,0,0,0|0,0,2]=4 4433 B10R1.25 Nc1cnc(c(n1)Cl)C#N 1P00CMTW [0,2,0,0,0,0|1,0,1]=4 4434 B10R1.25 Nc1nc(Br)ccc1CCl 1P01B2T3 [0,2,0,0,0,0|2,0,0]=4 4435 B10R1.25 Nc1nc(Br)ccc1CO 1P001T3T [0,2,0,0,0,0|2,0,0]=4 4436 B10R1.25 Nc1nc(Cl)cnc1C#N 1P00D8VN [0,2,0,0,0,0|1,0,1]=4 4437 B10R1.25 Nc1nc(Cl)cnc1C=O 1P00414P [0,2,0,0,0,0|1,0,1]=4 4438 B10R1.25 OCc1ccc(nc1Br)Br 1P00E5ZJ [0,2,0,0,0,0|2,0,0]=4 4439 B10R1.25 OCc1ccc(nc1Br)F 1P01BXWS [0,2,0,0,0,0|2,0,0]=4 4440 B10R1.25 OCc1ccc(nc1Cl)Br 1P000JUN [0,2,0,0,0,0|2,0,0]=4 4441 B10R1.25 OCc1ccc(nc1Cl)Cl 1P00DDB9 [0,2,0,0,0,0|2,0,0]=4 4442 B10R1.25 OCc1ccc(nc1F)Br 1P01X1D2 [0,2,0,0,0,0|2,0,0]=4 4443 B10R1.25 OCc1ccc(nc1F)Cl 1P01KL89 [0,2,0,0,0,0|2,0,0]=4 4444 B10R1.25 OCc1cnc(cc1Cl)Cl 1P005AVW [0,2,0,0,0,0|2,0,0]=4 4445 B10R1.25 OCc1cnc(cc1F)F 1P0022NP [0,2,0,0,0,0|2,0,0]=4 4446 B10R1.25 OCc1ncc(cc1Br)Br 1P000JUF [0,2,0,0,0,0|2,0,0]=4 4447 B10R1.25 OCc1ncc(cc1Br)C 1P00JT0D [0,2,0,0,0,0|2,0,0]=4 4448 B10R1.25 OCc1ncc(cc1Br)Cl 1P000JUP [0,2,0,0,0,0|2,0,0]=4 4449 B10R1.25 OCc1ncc(cc1Br)F 1P00HHE6 [0,2,0,0,0,0|2,0,0]=4 4450 B10R1.25 OCc1ncc(cc1C)Br 1P002P3C [0,2,0,0,0,0|2,0,0]=4 4451 B10R1.25 OCc1ncc(cc1C)C 1P00290Y [0,2,0,0,0,0|2,0,0]=4 4452 B10R1.25 OCc1ncc(cc1C)F 1P00A0FY [0,2,0,0,0,0|2,0,0]=4 4453 B10R1.25 OCc1ncc(cc1Cl)Br 1P008ZKR [0,2,0,0,0,0|2,0,0]=4 4454 B10R1.25 OCc1ncc(cc1Cl)Cl 1P002UHI [0,2,0,0,0,0|2,0,0]=4 4455 B10R1.25 OCc1ncc(cc1Cl)Cl 1P01FIBI [0,2,0,0,0,0|2,0,0]=4 4456 B10R1.25 OCc1ncc(cc1Cl)F 1P000JQZ [0,2,0,0,0,0|2,0,0]=4 4457 B10R1.25 OCc1ncc(cc1F)Br 1P0034ON [0,2,0,0,0,0|2,0,0]=4 4458 B10R1.25 OCc1ncc(cc1F)Cl 1P00BFX0 [0,2,0,0,0,0|2,0,0]=4 4459 B10R1.25 OCc1ncc(cc1F)F 1P008U8K [0,2,0,0,0,0|2,0,0]=4 4460 B10R1.25 OCc1ncc(cc1N)Br 1P001268 [0,2,0,0,0,0|2,0,0]=4 4461 B10R1.25 OCc1ncc(cc1N)Cl 1P00ILVX [0,2,0,0,0,0|2,0,0]=4 4462 B10R1.176 BrCc1ccc(c(n1)C)Br 1P000KHK [0,2,0,0,0,0|2,0,0]=4 4463 B10R1.176 BrCc1cnc(c(c1)C)Br 1P028OFI [0,2,0,0,0,0|2,0,0]=4 4464 B10R1.176 BrCc1cnc(c(c1)Cl)Cl 1P002WVT [0,2,0,0,0,0|2,0,0]=4 4465 B10R1.176 BrCc1cnc(c(c1)Cl)F 1P0293QC [0,2,0,0,0,0|2,0,0]=4 4466 B10R1.176 BrCc1cnc(c(c1)F)Br 1P01PSWQ [0,2,0,0,0,0|2,0,0]=4 4467 B10R1.176 BrCc1cnc(c(c1)F)Cl 1P01SI33 [0,2,0,0,0,0|2,0,0]=4 4468 B10R1.176 BrCc1cnc(c(c1)F)F 1P028WO9 [0,2,0,0,0,0|2,0,0]=4 4469 B10R1.176 BrCc1cnc(c(c1)I)Cl 1P00IGM9 [0,2,0,0,0,0|2,0,0]=4 4470 B10R1.176 CCc1ccc(c(c1)Br)C 1P003B3P [0,2,0,0,0,0|2,0,0]=4 4471 B10R1.176 CCc1ccc(c(c1)Br)F 1P003WQ6 [0,2,0,0,0,0|2,0,0]=4 4472 B10R1.176 CCc1ccc(c(c1)Br)N 1P00CN2Z [0,2,0,0,0,0|2,0,0]=4 4473 B10R1.176 CCc1ccc(c(c1)Br)O 1P0037F4 [0,2,0,0,0,0|2,0,0]=4 4474 B10R1.176 CCc1ccc(c(c1)C)Br 1P01BZC2 [0,2,0,0,0,0|2,0,0]=4 4475 B10R1.176 CCc1ccc(c(c1)C)C 1P006FV1 [0,2,0,0,0,0|2,0,0]=4 4476 B10R1.176 CCc1ccc(c(c1)C)I 1P00IENC [0,2,0,0,0,0|2,0,0]=4 4477 B10R1.176 CCc1ccc(c(c1)C)N 1P005QEI [0,2,0,0,0,0|2,0,0]=4 4478 B10R1.176 CCc1ccc(c(c1)C)O 1P00BRH9 [0,2,0,0,0,0|2,0,0]=4 4479 B10R1.176 CCc1ccc(c(c1)Cl)Br 1P01B2W2 [0,2,0,0,0,0|2,0,0]=4 4480 B10R1.176 CCc1ccc(c(c1)F)Br 1P006LGI [0,2,0,0,0,0|2,0,0]=4 4481 B10R1.176 CCc1ccc(c(c1)F)N 1P000R09 [0,2,0,0,0,0|2,0,0]=4 4482 B10R1.176 CCc1ccc(c(c1)F)N 1P00512S [0,2,0,0,0,0|2,0,0]=4 4483 B10R1.176 CCc1ccc(c(c1)N)C 1P00ARD9 [0,2,0,0,0,0|2,0,0]=4 4484 B10R1.176 CCc1ccc(c(c1)N)N 1P000DAV [0,2,0,0,0,0|2,0,0]=4 4485 B10R1.176 CCc1ccc(c(c1)N)N 1P0098R4 [0,2,0,0,0,0|2,0,0]=4 4486 B10R1.176 CCc1ccc(c(c1)N)O 1P005V9C [0,2,0,0,0,0|2,0,0]=4 4487 B10R1.176 CCc1ccc(c(c1)N)O 1P019TR4 [0,2,0,0,0,0|2,0,0]=4 4488 B10R1.176 CCc1ccc(c(c1)O)N 1P001MJ1 [0,2,0,0,0,0|2,0,0]=4 4489 B10R1.176 CCc1ccc(c(c1)O)N 1P0024E3 [0,2,0,0,0,0|2,0,0]=4 4490 B10R1.176 CCc1ccc(c(c1)O)O 1P003LSP [0,2,0,0,0,0|2,0,0]=4 4491 B10R1.176 CCc1ccc(c(n1)C)N 1P028QOB [0,2,0,0,0,0|1,0,0]=3 4492 B10R1.176 CCc1ccc(c(n1)Cl)Br 1P00HUH2 [0,2,0,0,0,0|1,0,0]=3 4493 B10R1.176 CCc1cnc(c(c1)Br)N 1P027W36 [0,2,0,0,0,0|1,0,0]=3 4494 B10R1.176 CCc1cnc(c(c1)N)C 1P028SKT [0,2,0,0,0,0|1,0,0]=3 4495 B10R1.176 CCc1cnc(c(n1)C)C 1P001PNM [0,2,0,0,0,0|0,0,0]=2 4496 B10R1.176 CCc1ncc(c(=O)[nH]1)Br 1P01DW0D [0,2,0,0,0,0|2,0,0]=4 4497 B10R1.176 CCc1ncc(c(n1)C)Br 1P028OVF [0,2,0,0,0,0|2,0,0]=4 4498 B10R1.176 CCc1ncc(c(n1)Cl)F 1P01A5SU [0,2,0,0,0,0|2,0,0]=4 4499 B10R1.176 CNc1ccc(c(n1)F)Br 1P028E2Q [0,2,0,0,0,0|2,0,0]=4 4500 B10R1.176 CNc1cnc(c(c1)F)Cl 1P028RVC [0,2,0,0,0,0|2,0,0]=4 4501 B10R1.176 CNc1cnc(c(n1)Cl)I 1P028I5N [0,2,0,0,0,0|1,0,0]=3 4502 B10R1.176 CNc1ncc(c(c1)C)Br 1P001ON8 [0,2,0,0,0,0|2,0,0]=4 4503 B10R1.176 CNc1nnc(c(n1)C)C 1P0290YB [0,2,0,0,0,0|2,0,0]=4 4504 B10R1.176 COc1ccc(c(n1)Br)Br 1P006GM1 [0,2,0,0,0,0|2,0,0]=4 4505 B10R1.176 COc1ccc(c(n1)Br)C 1P000OU8 [0,2,0,0,0,0|2,0,0]=4 4506 B10R1.176 COc1ccc(c(n1)Br)F 1P01B26B [0,2,0,0,0,0|2,0,0]=4 4507 B10R1.176 COc1ccc(c(n1)Br)N 1P003JB1 [0,2,0,0,0,0|2,0,0]=4 4508 B10R1.176 COc1ccc(c(n1)C)Br 1P000TLP [0,2,0,0,0,0|2,0,0]=4 4509 B10R1.176 COc1ccc(c(n1)C)I 1P01L020 [0,2,0,0,0,0|2,0,0]=4 4510 B10R1.176 COc1ccc(c(n1)C)N 1P00D9K4 [0,2,0,0,0,0|2,0,0]=4 4511 B10R1.176 COc1ccc(c(n1)C)N 1P00I6JG [0,2,0,0,0,0|2,0,0]=4 4512 B10R1.176 COc1ccc(c(n1)Cl)Br 1P005S7E [0,2,0,0,0,0|2,0,0]=4 4513 B10R1.176 COc1ccc(c(n1)Cl)C 1P020L6U [0,2,0,0,0,0|2,0,0]=4 4514 B10R1.176 COc1ccc(c(n1)Cl)Cl 1P0056EZ [0,2,0,0,0,0|2,0,0]=4 4515 B10R1.176 COc1ccc(c(n1)Cl)N 1P00BZYT [0,2,0,0,0,0|2,0,0]=4 4516 B10R1.176 COc1ccc(c(n1)F)Br 1P000JUO [0,2,0,0,0,0|2,0,0]=4 4517 B10R1.176 COc1ccc(c(n1)F)N 1P01XDF5 [0,2,0,0,0,0|2,0,0]=4 4518 B10R1.176 COc1ccc(c(n1)N)Br 1P00DKHY [0,2,0,0,0,0|2,0,0]=4 4519 B10R1.176 COc1ccc(c(n1)N)C 1P028Q6P [0,2,0,0,0,0|2,0,0]=4 4520 B10R1.176 COc1ccc(c(n1)N)Cl 1P005DU0 [0,2,0,0,0,0|2,0,0]=4 4521 B10R1.176 COc1ccc(c(n1)N)F 1P01UNRP [0,2,0,0,0,0|2,0,0]=4 4522 B10R1.176 COc1ccc(c(n1)N)N 1P000HSM [0,2,0,0,0,0|2,0,0]=4 4523 B10R1.176 COc1ccc(c(n1)N)N 1P003BKE [0,2,0,0,0,0|2,0,0]=4 4524 B10R1.176 COc1ccc(c(n1)N)N 1P00I5QG [0,2,0,0,0,0|2,0,0]=4 4525 B10R1.176 COc1cnc(c(c1)Br)Br 1P01KY0E [0,2,0,0,0,0|2,0,0]=4 4526 B10R1.176 COc1cnc(c(c1)Br)C 1P000OWM [0,2,0,0,0,0|2,0,0]=4 4527 B10R1.176 COc1cnc(c(c1)Br)Cl 1P0086BP [0,2,0,0,0,0|2,0,0]=4 4528 B10R1.176 COc1cnc(c(c1)Br)F 1P01B6X4 [0,2,0,0,0,0|2,0,0]=4 4529 B10R1.176 COc1cnc(c(c1)Br)N 1P00HVLM [0,2,0,0,0,0|2,0,0]=4 4530 B10R1.176 COc1cnc(c(c1)C)Br 1P01DO36 [0,2,0,0,0,0|2,0,0]=4 4531 B10R1.176 COc1cnc(c(c1)C)Cl 1P00FHC2 [0,2,0,0,0,0|2,0,0]=4 4532 B10R1.176 COc1cnc(c(c1)Cl)Cl 1P0048JX [0,2,0,0,0,0|2,0,0]=4 4533 B10R1.176 COc1cnc(c(c1)F)Br 1P01FGJG [0,2,0,0,0,0|2,0,0]=4 4534 B10R1.176 COc1cnc(c(c1)F)F 1P028TOU [0,2,0,0,0,0|2,0,0]=4 4535 B10R1.176 COc1cnc(c(c1)F)N 1P00HGGA [0,2,0,0,0,0|2,0,0]=4 4536 B10R1.176 COc1cnc(c(c1)F)O 1P01C4PL [0,2,0,0,0,0|2,0,0]=4 4537 B10R1.176 COc1cnc(c(c1)I)F 1P01C2CO [0,2,0,0,0,0|2,0,0]=4 4538 B10R1.176 COc1cnc(c(c1)N)Br 1P008ZHS [0,2,0,0,0,0|2,0,0]=4 4539 B10R1.176 COc1cnc(c(c1)N)C 1P01K5GS [0,2,0,0,0,0|2,0,0]=4 4540 B10R1.176 COc1cnc(c(c1)N)Cl 1P005ZKM [0,2,0,0,0,0|2,0,0]=4 4541 B10R1.176 COc1cnc(c(c1)N)F 1P01BV43 [0,2,0,0,0,0|2,0,0]=4 4542 B10R1.176 COc1cnc(c(c1)N)N 1P00EGNC [0,2,0,0,0,0|2,0,0]=4 4543 B10R1.176 COc1cnc(c(n1)C)Br 1P01FPC8 [0,2,0,0,0,0|1,0,0]=3 4544 B10R1.176 COc1cnc(c(n1)C)Cl 1P01K20H [0,2,0,0,0,0|1,0,0]=3 4545 B10R1.176 COc1cnc(c(n1)C)N 1P01EDSR [0,2,0,0,0,0|1,0,0]=3 4546 B10R1.176 COc1cnc(c(n1)N)Cl 1P009WCG [0,2,0,0,0,0|1,0,0]=3 4547 B10R1.176 COc1ncc(c(c1)Br)C 1P009DC0 [0,2,0,0,0,0|2,0,0]=4 4548 B10R1.176 COc1ncc(c(c1)Br)Cl 1P003LFJ [0,2,0,0,0,0|2,0,0]=4 4549 B10R1.176 COc1ncc(c(c1)Br)F 1P004K06 [0,2,0,0,0,0|2,0,0]=4 4550 B10R1.176 COc1ncc(c(c1)C)Br 1P0038FQ [0,2,0,0,0,0|2,0,0]=4 4551 B10R1.176 COc1ncc(c(c1)C)N 1P00FBC3 [0,2,0,0,0,0|2,0,0]=4 4552 B10R1.176 COc1ncc(c(c1)Cl)Br 1P008GKZ [0,2,0,0,0,0|2,0,0]=4 4553 B10R1.176 COc1ncc(c(c1)Cl)I 1P00A184 [0,2,0,0,0,0|2,0,0]=4 4554 B10R1.176 COc1ncc(c(c1)F)Br 1P00ILTX [0,2,0,0,0,0|2,0,0]=4 4555 B10R1.176 COc1ncc(c(c1)I)C 1P000JVL [0,2,0,0,0,0|2,0,0]=4 4556 B10R1.176 COc1ncc(c(c1)I)Cl 1P000JVJ [0,2,0,0,0,0|2,0,0]=4 4557 B10R1.176 COc1ncc(c(c1)I)F 1P004HRZ [0,2,0,0,0,0|2,0,0]=4 4558 B10R1.176 COc1ncc(c(c1)I)O 1P01JWEE [0,2,0,0,0,0|2,0,0]=4 4559 B10R1.176 COc1ncc(c(c1)N)Br 1P000KOI [0,2,0,0,0,0|2,0,0]=4 4560 B10R1.176 COc1ncc(c(c1)N)C 1P000RGB [0,2,0,0,0,0|2,0,0]=4 4561 B10R1.176 COc1ncc(c(c1)N)Cl 1P028LXH [0,2,0,0,0,0|2,0,0]=4 4562 B10R1.176 COc1ncc(c(c1)N)F 1P00EJ15 [0,2,0,0,0,0|2,0,0]=4 4563 B10R1.176 COc1ncc(c(c1)N)N 1P000XEF [0,2,0,0,0,0|2,0,0]=4 4564 B10R1.176 COc1ncc(c(c1)O)Br 1P00HWQW [0,2,0,0,0,0|2,0,0]=4 4565 B10R1.176 COc1ncc(c(c1)O)F 1P00DCMA [0,2,0,0,0,0|2,0,0]=4 4566 B10R1.176 CSc1[nH]nc(c(=O)n1)C 1P001PAT [0,2,0,0,0,0|2,0,0]=4 4567 B10R1.176 CSc1cnc(c(c1)Br)Cl 1P028FXZ [0,2,0,0,0,0|2,0,0]=4 4568 B10R1.176 CSc1cnc(c(c1)C)Cl 1P00I1EE [0,2,0,0,0,0|2,0,0]=4 4569 B10R1.176 CSc1cnc(c(c1)C)N 1P01C0YA [0,2,0,0,0,0|2,0,0]=4 4570 B10R1.176 CSc1cnc(c(c1)Cl)Cl 1P01P9PR [0,2,0,0,0,0|2,0,0]=4 4571 B10R1.176 CSc1cnc(c(c1)F)Br 1P00I0YL [0,2,0,0,0,0|2,0,0]=4 4572 B10R1.176 CSc1cnc(c(n1)Cl)Cl 1P000ESA [0,2,0,0,0,0|1,0,0]=3 4573 B10R1.176 CSc1ncc(c(c1)C)Br 1P00BIKI [0,2,0,0,0,0|2,0,0]=4 4574 B10R1.176 CSc1ncc(c(c1)C)N 1P00CGVF [0,2,0,0,0,0|2,0,0]=4 4575 B10R1.176 ClCc1ccc(c(n1)C)C 1P027E07 [0,2,0,0,0,0|2,0,0]=4 4576 B10R1.176 ClCc1ccc(c(n1)Cl)Br 1P00A0JV [0,2,0,0,0,0|2,0,0]=4 4577 B10R1.176 ClCc1ccc(c(n1)Cl)C 1P01BYDB [0,2,0,0,0,0|2,0,0]=4 4578 B10R1.176 ClCc1cnc(c(c1)Br)F 1P01D9LB [0,2,0,0,0,0|2,0,0]=4 4579 B10R1.176 ClCc1cnc(c(c1)C)Cl 1P00AR9U [0,2,0,0,0,0|2,0,0]=4 4580 B10R1.176 ClCc1cnc(c(c1)C)Cl 1P01FIOG [0,2,0,0,0,0|2,0,0]=4 4581 B10R1.176 ClCc1cnc(c(c1)Cl)Cl 1P00DIED [0,2,0,0,0,0|2,0,0]=4 4582 B10R1.176 ClCc1cnc(c(c1)F)Cl 1P00JT2K [0,2,0,0,0,0|2,0,0]=4 4583 B10R1.176 N#Cc1cnc(c(n1)C)Cl 1P009FQJ [0,2,0,0,0,0|1,0,1]=4 4584 B10R1.176 N#Cc1cnc(c(n1)C)N 1P003MUQ [0,2,0,0,0,0|1,0,1]=4 4585 B10R1.176 NCc1ccc(c(n1)Br)C 1P027XLO [0,2,0,0,0,0|2,0,0]=4 4586 B10R1.176 NCc1ccc(c(n1)C)Br 1P028Y5V [0,2,0,0,0,0|2,0,0]=4 4587 B10R1.176 NCc1ccc(c(n1)C)C 1P00DGO5 [0,2,0,0,0,0|2,0,0]=4 4588 B10R1.176 NCc1ccc(c(n1)C)C 1P01XCEG [0,2,0,0,0,0|2,0,0]=4 4589 B10R1.176 NCc1ccc(c(n1)C)C 1P01XDOI [0,2,0,0,0,0|2,0,0]=4 4590 B10R1.176 NCc1ccc(c(n1)Cl)Br 1P0021YO [0,2,0,0,0,0|2,0,0]=4 4591 B10R1.176 NCc1ccc(c(n1)Cl)Cl 1P000OXJ [0,2,0,0,0,0|2,0,0]=4 4592 B10R1.176 NCc1ccc(c(n1)F)Br 1P028B11 [0,2,0,0,0,0|2,0,0]=4 4593 B10R1.176 NCc1ccc(c(n1)F)C 1P028CZ4 [0,2,0,0,0,0|2,0,0]=4 4594 B10R1.176 NCc1ccc(c(n1)F)Cl 1P01C5SJ [0,2,0,0,0,0|2,0,0]=4 4595 B10R1.176 NCc1cnc(c(c1)Br)Cl 1P00A0SU [0,2,0,0,0,0|2,0,0]=4 4596 B10R1.176 NCc1cnc(c(c1)Br)N 1P028386 [0,2,0,0,0,0|2,0,0]=4 4597 B10R1.176 NCc1cnc(c(c1)Br)O 1P028FEC [0,2,0,0,0,0|2,0,0]=4 4598 B10R1.176 NCc1cnc(c(c1)C)Br 1P009XZY [0,2,0,0,0,0|2,0,0]=4 4599 B10R1.176 NCc1cnc(c(c1)C)C 1P00J2NY [0,2,0,0,0,0|2,0,0]=4 4600 B10R1.176 NCc1cnc(c(c1)C)Cl 1P000P3R [0,2,0,0,0,0|2,0,0]=4 4601 B10R1.176 NCc1cnc(c(c1)C)F 1P028KPC [0,2,0,0,0,0|2,0,0]=4 4602 B10R1.176 NCc1cnc(c(c1)Cl)Cl 1P00HX67 [0,2,0,0,0,0|2,0,0]=4 4603 B10R1.176 NCc1cnc(c(c1)Cl)F 1P027U3X [0,2,0,0,0,0|2,0,0]=4 4604 B10R1.176 NCc1cnc(c(c1)F)Br 1P027W3L [0,2,0,0,0,0|2,0,0]=4 4605 B10R1.176 NCc1cnc(c(c1)F)Cl 1P027VCE [0,2,0,0,0,0|2,0,0]=4 4606 B10R1.176 NCc1cnc(c(c1)F)O 1P028VTL [0,2,0,0,0,0|2,0,0]=4 4607 B10R1.176 NCc1ncc(c(c1)Br)C 1P027U9U [0,2,0,0,0,0|2,0,0]=4 4608 B10R1.176 NCc1ncc(c(c1)C)Br 1P000P2L [0,2,0,0,0,0|2,0,0]=4 4609 B10R1.176 NCc1ncc(c(c1)C)Br 1P00IFQL [0,2,0,0,0,0|2,0,0]=4 4610 B10R1.176 O(C)c1cc(F)c(cn1)N 1P01FWGO [0,2,0,0,0,0|2,0,0]=4 4611 B10R1.176 OCc1ccc(c(n1)Br)Cl 1P021K6F [0,2,0,0,0,0|2,0,0]=4 4612 B10R1.176 OCc1ccc(c(n1)Br)F 1P003BDL [0,2,0,0,0,0|2,0,0]=4 4613 B10R1.176 OCc1ccc(c(n1)Br)N 1P021W7A [0,2,0,0,0,0|2,0,0]=4 4614 B10R1.176 OCc1ccc(c(n1)Br)O 1P00AN8H [0,2,0,0,0,0|2,0,0]=4 4615 B10R1.176 OCc1ccc(c(n1)C)Br 1P0014AM [0,2,0,0,0,0|2,0,0]=4 4616 B10R1.176 OCc1ccc(c(n1)C)F 1P000YH7 [0,2,0,0,0,0|2,0,0]=4 4617 B10R1.176 OCc1ccc(c(n1)C)O 1P00DLQN [0,2,0,0,0,0|2,0,0]=4 4618 B10R1.176 OCc1ccc(c(n1)Cl)Br 1P000JR2 [0,2,0,0,0,0|2,0,0]=4 4619 B10R1.176 OCc1ccc(c(n1)Cl)N 1P021WAI [0,2,0,0,0,0|2,0,0]=4 4620 B10R1.176 OCc1ccc(c(n1)Cl)O 1P002K7U [0,2,0,0,0,0|2,0,0]=4 4621 B10R1.176 OCc1ccc(c(n1)F)C 1P01DZGD [0,2,0,0,0,0|2,0,0]=4 4622 B10R1.176 OCc1cnc(c(c1)Br)Cl 1P00IGM8 [0,2,0,0,0,0|2,0,0]=4 4623 B10R1.176 OCc1cnc(c(c1)Br)N 1P0008SR [0,2,0,0,0,0|2,0,0]=4 4624 B10R1.176 OCc1cnc(c(c1)C)C 1P008HBQ [0,2,0,0,0,0|2,0,0]=4 4625 B10R1.176 OCc1cnc(c(c1)Cl)Cl 1P00DAWZ [0,2,0,0,0,0|2,0,0]=4 4626 B10R1.176 OCc1cnc(c(c1)Cl)N 1P009WP5 [0,2,0,0,0,0|2,0,0]=4 4627 B10R1.176 OCc1cnc(c(c1)F)Br 1P01K5GN [0,2,0,0,0,0|2,0,0]=4 4628 B10R1.176 OCc1cnc(c(c1)F)C 1P00IHC4 [0,2,0,0,0,0|2,0,0]=4 4629 B10R1.176 OCc1cnc(c(c1)F)F 1P028UBW [0,2,0,0,0,0|2,0,0]=4 4630 B10R1.176 OCc1cnc(c(c1)I)Cl 1P00HUX3 [0,2,0,0,0,0|2,0,0]=4 4631 B10R1.176 OCc1cnc(c(c1)N)Br 1P028G0Y [0,2,0,0,0,0|2,0,0]=4 4632 B10R1.176 OCc1ncc(c(c1)Br)C 1P00G8MI [0,2,0,0,0,0|2,0,0]=4 4633 B10R1.176 OCc1ncc(c(c1)Br)C 1P00IM7Y [0,2,0,0,0,0|2,0,0]=4 4634 B10R1.176 OCc1ncc(c(c1)C)Cl 1P0290EL [0,2,0,0,0,0|2,0,0]=4 4635 B10R1.176 OCc1ncc(c(c1)Cl)Br 1P007FS7 [0,2,0,0,0,0|2,0,0]=4 4636 B10R1.176 OCc1ncc(c(c1)Cl)C 1P004C0X [0,2,0,0,0,0|2,0,0]=4 4637 B10R1.176 OCc1ncc(c(c1)Cl)Cl 1P01V7CY [0,2,0,0,0,0|2,0,0]=4 4638 B10R1.176 OCc1ncc(c(c1)Cl)F 1P008S50 [0,2,0,0,0,0|2,0,0]=4 4639 B10R1.176 OCc1ncc(c(c1)N)C 1P01FM2N [0,2,0,0,0,0|2,0,0]=4 4640 B10R1.2 BrCc1nccc(c1F)Cl 1P01EM9B [0,2,0,0,0,0|2,0,0]=4 4641 B10R1.2 BrCc1nccc(c1F)Cl 1P028PAB [0,2,0,0,0,0|2,0,0]=4 4642 B10R1.2 CCc1cccc(c1Br)C 1P00IBXQ [0,2,0,0,0,0|2,0,0]=4 4643 B10R1.2 CCc1cccc(c1Br)Cl 1P01BVHZ [0,2,0,0,0,0|2,0,0]=4 4644 B10R1.2 CCc1cccc(c1Br)F 1P01BVCG [0,2,0,0,0,0|2,0,0]=4 4645 B10R1.2 CCc1cccc(c1F)N 1P01T818 [0,2,0,0,0,0|2,0,0]=4 4646 B10R1.2 CCc1cccc(c1I)C 1P0021AO [0,2,0,0,0,0|2,0,0]=4 4647 B10R1.2 CCc1cccc(c1N)C 1P002OYV [0,2,0,0,0,0|2,0,0]=4 4648 B10R1.2 CCc1cccc(c1N)F 1P028DUR [0,2,0,0,0,0|2,0,0]=4 4649 B10R1.2 CCc1cccc(c1O)C 1P001YOW [0,2,0,0,0,0|2,0,0]=4 4650 B10R1.2 CCc1cccc(c1O)N 1P01EMVG [0,2,0,0,0,0|2,0,0]=4 4651 B10R1.2 CCc1nc[nH]c(=O)c1Cl 1P000UIK [0,2,0,0,0,0|2,0,0]=4 4652 B10R1.2 CCc1nc[nH]c(=O)c1F 1P0013GM [0,2,0,0,0,0|2,0,0]=4 4653 B10R1.2 CCc1nccc(c1N)C 1P01BKOZ [0,2,0,0,0,0|1,0,0]=3 4654 B10R1.2 CCc1ncnc(c1Br)Cl 1P01R9FE [0,2,0,0,0,0|2,0,0]=4 4655 B10R1.2 CCc1ncnc(c1Br)N 1P028FH8 [0,2,0,0,0,0|2,0,0]=4 4656 B10R1.2 CCc1ncnc(c1C)O 1P00AI96 [0,2,0,0,0,0|2,0,0]=4 4657 B10R1.2 CCc1ncnc(c1Cl)Cl 1P000GPZ [0,2,0,0,0,0|2,0,0]=4 4658 B10R1.2 CCc1ncnc(c1F)Cl 1P0013FJ [0,2,0,0,0,0|2,0,0]=4 4659 B10R1.2 CCc1occc(=O)c1O 1P003HNO [0,2,0,0,0,0|2,0,0]=4 4660 B10R1.2 CCn1cncc(c1=O)N 1P01C41W [0,2,0,0,0,0|2,0,0]=4 4661 B10R1.2 CCn1cncc(c1=O)N 1P01C41X [0,2,0,0,0,0|2,0,0]=4 4662 B10R1.2 CCn1nccc(c1=O)N 1P028EGY [0,2,0,0,0,0|2,0,0]=4 4663 B10R1.2 CNc1nccc(c1F)Br 1P027WD2 [0,2,0,0,0,0|2,0,0]=4 4664 B10R1.2 COc1cncc(c1Br)Br 1P01DZCU [0,2,0,0,0,0|2,0,0]=4 4665 B10R1.2 COc1cncc(c1Br)F 1P01B8AF [0,2,0,0,0,0|2,0,0]=4 4666 B10R1.2 COc1cncc(c1C)Br 1P0039P6 [0,2,0,0,0,0|2,0,0]=4 4667 B10R1.2 COc1cncc(c1C)N 1P00579R [0,2,0,0,0,0|2,0,0]=4 4668 B10R1.2 COc1cncc(c1Cl)Br 1P006205 [0,2,0,0,0,0|2,0,0]=4 4669 B10R1.2 COc1cncc(c1N)Br 1P01FMUI [0,2,0,0,0,0|2,0,0]=4 4670 B10R1.2 COc1cncc(c1N)Cl 1P0201YB [0,2,0,0,0,0|2,0,0]=4 4671 B10R1.2 COc1cncc(c1N)F 1P020IMX [0,2,0,0,0,0|2,0,0]=4 4672 B10R1.2 COc1nccc(c1Br)C 1P005G29 [0,2,0,0,0,0|2,0,0]=4 4673 B10R1.2 COc1nccc(c1Br)Cl 1P01FPBK [0,2,0,0,0,0|2,0,0]=4 4674 B10R1.2 COc1nccc(c1Br)F 1P00HIV4 [0,2,0,0,0,0|2,0,0]=4 4675 B10R1.2 COc1nccc(c1Br)N 1P00C4OS [0,2,0,0,0,0|2,0,0]=4 4676 B10R1.2 COc1nccc(c1Br)O 1P01NDAD [0,2,0,0,0,0|2,0,0]=4 4677 B10R1.2 COc1nccc(c1C)Br 1P0083MK [0,2,0,0,0,0|2,0,0]=4 4678 B10R1.2 COc1nccc(c1C)I 1P01XFNW [0,2,0,0,0,0|2,0,0]=4 4679 B10R1.2 COc1nccc(c1C)N 1P01V73M [0,2,0,0,0,0|2,0,0]=4 4680 B10R1.2 COc1nccc(c1Cl)Br 1P00HHDI [0,2,0,0,0,0|2,0,0]=4 4681 B10R1.2 COc1nccc(c1Cl)Cl 1P00II2H [0,2,0,0,0,0|2,0,0]=4 4682 B10R1.2 COc1nccc(c1Cl)I 1P01BK8N [0,2,0,0,0,0|2,0,0]=4 4683 B10R1.2 COc1nccc(c1F)Br 1P01B73G [0,2,0,0,0,0|2,0,0]=4 4684 B10R1.2 COc1nccc(c1F)C 1P01XCBI [0,2,0,0,0,0|2,0,0]=4 4685 B10R1.2 COc1nccc(c1F)Cl 1P01BOD3 [0,2,0,0,0,0|2,0,0]=4 4686 B10R1.2 COc1nccc(c1F)N 1P000K5I [0,2,0,0,0,0|2,0,0]=4 4687 B10R1.2 COc1nccc(c1I)C 1P01PZS3 [0,2,0,0,0,0|2,0,0]=4 4688 B10R1.2 COc1nccc(c1I)Cl 1P01X067 [0,2,0,0,0,0|2,0,0]=4 4689 B10R1.2 COc1nccc(c1I)N 1P000PJ3 [0,2,0,0,0,0|2,0,0]=4 4690 B10R1.2 COc1nccc(c1N)Br 1P0292C9 [0,2,0,0,0,0|2,0,0]=4 4691 B10R1.2 COc1nccc(c1N)C 1P00G4HD [0,2,0,0,0,0|2,0,0]=4 4692 B10R1.2 COc1nccc(c1N)N 1P00C81U [0,2,0,0,0,0|2,0,0]=4 4693 B10R1.2 ClCc1nccc(c1Br)C 1P028PE2 [0,2,0,0,0,0|2,0,0]=4 4694 B10R1.2 ClCc1nccc(c1C)Cl 1P001YCA [0,2,0,0,0,0|2,0,0]=4 4695 B10R1.2 ClCc1nccc(c1C)Cl 1P007Z2V [0,2,0,0,0,0|2,0,0]=4 4696 B10R1.2 ClCc1nccc(c1F)F 1P028XVE [0,2,0,0,0,0|2,0,0]=4 4697 B10R1.2 NCc1cncc(c1C)Br 1P01FJ5L [0,2,0,0,0,0|2,0,0]=4 4698 B10R1.2 NCc1nccc(c1Br)Br 1P028YCC [0,2,0,0,0,0|2,0,0]=4 4699 B10R1.2 NCc1nccc(c1C)Cl 1P028W0S [0,2,0,0,0,0|2,0,0]=4 4700 B10R1.2 NCc1nccc(c1F)C 1P01EIK6 [0,2,0,0,0,0|2,0,0]=4 4701 B10R1.2 NCc1nccc(c1F)Cl 1P01DW9H [0,2,0,0,0,0|2,0,0]=4 4702 B10R1.2 NCc1nccc(c1F)Cl 1P01EQX0 [0,2,0,0,0,0|2,0,0]=4 4703 B10R1.2 NCc1nccc(c1F)Cl 1P027Y4Q [0,2,0,0,0,0|2,0,0]=4 4704 B10R1.2 NCc1nccc(c1O)O 1P028HWY [0,2,0,0,0,0|2,0,0]=4 4705 B10R1.2 NCc1nccn(c1=O)C 1P01C0YC [0,2,0,0,0,0|1,0,1]=4 4706 B10R1.2 OCc1cncc(c1C)Br 1P00CJ8J [0,2,0,0,0,0|2,0,0]=4 4707 B10R1.2 OCc1cncc(c1N)Br 1P0022OU [0,2,0,0,0,0|2,0,0]=4 4708 B10R1.2 OCc1nccc(c1Br)F 1P0281PS [0,2,0,0,0,0|2,0,0]=4 4709 B10R1.2 OCc1nccc(c1Cl)Cl 1P008YC6 [0,2,0,0,0,0|2,0,0]=4 4710 B10R1.2 OCc1nccc(c1N)C 1P021WLT [0,2,0,0,0,0|2,0,0]=4 4711 B10R1.8 BrCc1cc(C)cc(n1)C 1P009ZMT [0,2,0,0,0,0|2,0,0]=4 4712 B10R1.8 BrCc1cc(C)cc(n1)C 1P00G4NY [0,2,0,0,0,0|2,0,0]=4 4713 B10R1.8 CCc1cc(Br)cc(c1)Br 1P00EJ1A [0,2,0,0,0,0|2,0,0]=4 4714 B10R1.8 CCc1cc(Br)nc(n1)C 1P01BNXT [0,2,0,0,0,0|2,0,0]=4 4715 B10R1.8 CCc1cc(C)cc(c1)C 1P003N6W [0,2,0,0,0,0|2,0,0]=4 4716 B10R1.8 CCc1cc(C)cc(c1)N 1P01KKKK [0,2,0,0,0,0|2,0,0]=4 4717 B10R1.8 CCc1cc(C)cc(c1)O 1P005HRO [0,2,0,0,0,0|2,0,0]=4 4718 B10R1.8 CCc1cc(C)nc(n1)Cl 1P00ER02 [0,2,0,0,0,0|2,0,0]=4 4719 B10R1.8 CCc1cc(C)nc(n1)N 1P009V2N [0,2,0,0,0,0|2,0,0]=4 4720 B10R1.8 CCc1cc(Cl)nc(n1)C 1P003LMG [0,2,0,0,0,0|2,0,0]=4 4721 B10R1.8 CCc1cc(Cl)nc(n1)Cl 1P00EL7S [0,2,0,0,0,0|2,0,0]=4 4722 B10R1.8 CCc1cc(Cl)nc(n1)N 1P0037MW [0,2,0,0,0,0|2,0,0]=4 4723 B10R1.8 CCc1cc(F)cc(c1)F 1P000EN8 [0,2,0,0,0,0|2,0,0]=4 4724 B10R1.8 CCc1cc(N)cc(c1)Br 1P000KJM [0,2,0,0,0,0|2,0,0]=4 4725 B10R1.8 CCc1cc(N)cc(c1)Cl 1P0285XW [0,2,0,0,0,0|2,0,0]=4 4726 B10R1.8 CCc1cc(N)cc(c1)F 1P0285HF [0,2,0,0,0,0|2,0,0]=4 4727 B10R1.8 CCc1cc(N)cc(c1)O 1P024X1Y [0,2,0,0,0,0|2,0,0]=4 4728 B10R1.8 CCc1cc(N)cc(n1)Cl 1P027WD4 [0,2,0,0,0,0|1,0,0]=3 4729 B10R1.8 CCc1cc(N)nc(n1)C 1P00H4YQ [0,2,0,0,0,0|2,0,0]=4 4730 B10R1.8 CCc1cc(N)nc(n1)N 1P00DAF6 [0,2,0,0,0,0|2,0,0]=4 4731 B10R1.8 CCc1cc(O)nc(n1)C 1P00DB5I [0,2,0,0,0,0|2,0,0]=4 4732 B10R1.8 CCc1cc(O)nc(n1)N 1P00EAR1 [0,2,0,0,0,0|2,0,0]=4 4733 B10R1.8 CCc1cc(S)nc(n1)S 1P01BG2U [0,2,0,0,0,0|2,0,0]=4 4734 B10R1.8 CCc1nc(C)cc(n1)Br 1P0292AW [0,2,0,0,0,0|2,0,0]=4 4735 B10R1.8 CCc1nc(C)cc(n1)Cl 1P00DIXX [0,2,0,0,0,0|2,0,0]=4 4736 B10R1.8 CCc1nc(C)cc(n1)N 1P028EYO [0,2,0,0,0,0|2,0,0]=4 4737 B10R1.8 CCc1nc(Cl)cc(n1)Cl 1P000JDA [0,2,0,0,0,0|2,0,0]=4 4738 B10R1.8 CCc1nc(N)cc(n1)Br 1P00GM0N [0,2,0,0,0,0|2,0,0]=4 4739 B10R1.8 CCc1nc(O)cc(n1)O 1P00BZTV [0,2,0,0,0,0|2,0,0]=4 4740 B10R1.8 CNc1cc(Cl)cc(n1)Cl 1P00247L [0,2,0,0,0,0|2,0,0]=4 4741 B10R1.8 COc1cc(Br)cc(n1)C 1P00845P [0,2,0,0,0,0|2,0,0]=4 4742 B10R1.8 COc1cc(Br)cc(n1)Cl 1P000PS8 [0,2,0,0,0,0|2,0,0]=4 4743 B10R1.8 COc1cc(Br)cc(n1)N 1P01EEHJ [0,2,0,0,0,0|2,0,0]=4 4744 B10R1.8 COc1cc(C)cc(n1)Br 1P01XCLZ [0,2,0,0,0,0|2,0,0]=4 4745 B10R1.8 COc1cc(C)cc(n1)C 1P01AC2K [0,2,0,0,0,0|2,0,0]=4 4746 B10R1.8 COc1cc(C)cc(n1)Cl 1P00BIR1 [0,2,0,0,0,0|2,0,0]=4 4747 B10R1.8 COc1cc(C)cc(n1)F 1P027WAB [0,2,0,0,0,0|2,0,0]=4 4748 B10R1.8 COc1cc(C)cc(n1)N 1P01ACZU [0,2,0,0,0,0|2,0,0]=4 4749 B10R1.8 COc1cc(Cl)cc(n1)Br 1P0094EH [0,2,0,0,0,0|2,0,0]=4 4750 B10R1.8 COc1cc(Cl)cc(n1)Cl 1P000JRV [0,2,0,0,0,0|2,0,0]=4 4751 B10R1.8 COc1cc(Cl)cc(n1)N 1P000SCM [0,2,0,0,0,0|2,0,0]=4 4752 B10R1.8 COc1cc(F)cc(n1)Cl 1P01ELNG [0,2,0,0,0,0|2,0,0]=4 4753 B10R1.8 COc1cc(I)cc(n1)F 1P01A53T [0,2,0,0,0,0|2,0,0]=4 4754 B10R1.8 COc1cc(N)cc(n1)Br 1P000PS6 [0,2,0,0,0,0|2,0,0]=4 4755 B10R1.8 COc1cc(N)cc(n1)C 1P00GZ3R [0,2,0,0,0,0|2,0,0]=4 4756 B10R1.8 COc1cc(N)cc(n1)Cl 1P0003FJ [0,2,0,0,0,0|2,0,0]=4 4757 B10R1.8 COc1cc(N)cc(n1)F 1P000JT1 [0,2,0,0,0,0|2,0,0]=4 4758 B10R1.8 ClCc1cc(C)cc(n1)C 1P01EM9X [0,2,0,0,0,0|2,0,0]=4 4759 B10R1.8 ClCc1cc(C)cc(n1)Cl 1P000JV9 [0,2,0,0,0,0|2,0,0]=4 4760 B10R1.8 NCc1cc(Br)cc(n1)C 1P01FPCL [0,2,0,0,0,0|2,0,0]=4 4761 B10R1.8 NCc1cc(Br)cc(n1)C 1P028AP2 [0,2,0,0,0,0|2,0,0]=4 4762 B10R1.8 NCc1cc(Br)cc(n1)Cl 1P01ELNP [0,2,0,0,0,0|2,0,0]=4 4763 B10R1.8 NCc1cc(C)cc(n1)C 1P00G57Y [0,2,0,0,0,0|2,0,0]=4 4764 B10R1.8 NCc1cc(C)cc(n1)Cl 1P000OUG [0,2,0,0,0,0|2,0,0]=4 4765 B10R1.8 NCc1cc(C)cc(n1)N 1P028L8V [0,2,0,0,0,0|2,0,0]=4 4766 B10R1.8 NCc1cc(Cl)cc(n1)Cl 1P0095PW [0,2,0,0,0,0|2,0,0]=4 4767 B10R1.8 NCc1cc(Cl)cc(n1)Cl 1P024G09 [0,2,0,0,0,0|2,0,0]=4 4768 B10R1.8 NCc1cc(Cl)cc(n1)Cl 1P028FWS [0,2,0,0,0,0|2,0,0]=4 4769 B10R1.8 NCc1cc(O)cc(n1)C 1P028RE2 [0,2,0,0,0,0|2,0,0]=4 4770 B10R1.8 OCc1cc(Br)cc(n1)Br 1P00HUHS [0,2,0,0,0,0|2,0,0]=4 4771 B10R1.8 OCc1cc(Br)cc(n1)C 1P00D8SQ [0,2,0,0,0,0|2,0,0]=4 4772 B10R1.8 OCc1cc(C)cc(n1)C 1P0022W6 [0,2,0,0,0,0|2,0,0]=4 4773 B10R1.8 OCc1cc(C)cc(n1)Cl 1P000JUH [0,2,0,0,0,0|2,0,0]=4 4774 B10R1.8 OCc1cc(Cl)cc(n1)C 1P005VXS [0,2,0,0,0,0|2,0,0]=4 4775 B10R1.8 OCc1cc(Cl)cc(n1)Cl 1P00IE6M [0,2,0,0,0,0|2,0,0]=4 4776 B10R1.8 OCc1cc(N)cc(n1)C 1P027WZ3 [0,2,0,0,0,0|2,0,0]=4 4777 B10R1.10 BrCCc1cccc(c1)Br 1P003JLH [0,2,0,0,0,0|2,0,0]=4 4778 B10R1.10 BrCCc1cccc(c1)C 1P001Y74 [0,2,0,0,0,0|2,0,0]=4 4779 B10R1.10 BrCCc1cccc(c1)Cl 1P003JRP [0,2,0,0,0,0|2,0,0]=4 4780 B10R1.10 BrCCc1cccc(c1)F 1P002QNY [0,2,0,0,0,0|2,0,0]=4 4781 B10R1.10 Brc1cc(CC#N)ncc1 1P00BGJQ [0,2,0,0,0,0|1,0,1]=4 4782 B10R1.10 Brc1cccc(n1)CC#N 1P008V5V [0,2,0,0,0,0|1,0,1]=4 4783 B10R1.10 CC#Cc1cncc(c1)Br 1P00GV6D [0,2,0,0,0,0|1,0,1]=4 4784 B10R1.10 CCCc1cc(Br)ccn1 1P00IKJL [0,2,0,0,0,0|1,0,0]=3 4785 B10R1.10 CCCc1cc(Cl)ncn1 1P019XCM [0,2,0,0,0,0|2,0,0]=4 4786 B10R1.10 CCCc1cccc(c1)Br 1P002BVS [0,2,0,0,0,0|2,0,0]=4 4787 B10R1.10 CCCc1cccc(c1)Cl 1P00F1D1 [0,2,0,0,0,0|2,0,0]=4 4788 B10R1.10 CCCc1cccc(c1)F 1P002W84 [0,2,0,0,0,0|2,0,0]=4 4789 B10R1.10 CCCc1cccc(c1)N 1P01A0L3 [0,2,0,0,0,0|2,0,0]=4 4790 B10R1.10 CCCc1cccc(c1)N 1P01B8B7 [0,2,0,0,0,0|2,0,0]=4 4791 B10R1.10 CCCc1cccc(c1)O 1P003KAZ [0,2,0,0,0,0|2,0,0]=4 4792 B10R1.10 CCCc1cccc(n1)N 1P00C7SD [0,2,0,0,0,0|1,0,0]=3 4793 B10R1.10 CCCc1cn[nH]c(=O)c1 1P0284RS [0,2,0,0,0,0|2,0,0]=4 4794 B10R1.10 CCCc1cncc(c1)O 1P01B7H3 [0,2,0,0,0,0|1,0,0]=3 4795 B10R1.10 CCCc1cnnc(c1)Cl 1P0285RA [0,2,0,0,0,0|2,0,0]=4 4796 B10R1.10 CCCc1cnnc(c1)N 1P028V6I [0,2,0,0,0,0|2,0,0]=4 4797 B10R1.10 CCCc1nccc(n1)N 1P0003MS [0,2,0,0,0,0|2,0,0]=4 4798 B10R1.10 CCNc1cc(Cl)ccn1 1P00HDEM [0,2,0,0,0,0|1,0,0]=3 4799 B10R1.10 CCNc1cc(N)ccn1 1P003X1E [0,2,0,0,0,0|1,0,0]=3 4800 B10R1.10 CCNc1cccc(c1)Br 1P00CRQM [0,2,0,0,0,0|2,0,0]=4 4801 B10R1.10 CCNc1cccc(c1)Br 1P019NBM [0,2,0,0,0,0|2,0,0]=4 4802 B10R1.10 CCNc1cccc(c1)C 1P0006PN [0,2,0,0,0,0|2,0,0]=4 4803 B10R1.10 CCNc1cccc(c1)Cl 1P00ABHB [0,2,0,0,0,0|2,0,0]=4 4804 B10R1.10 CCNc1cccc(c1)F 1P00I5LO [0,2,0,0,0,0|2,0,0]=4 4805 B10R1.10 CCNc1cccc(c1)F 1P019WHA [0,2,0,0,0,0|2,0,0]=4 4806 B10R1.10 CCNc1cccc(c1)N 1P006XSQ [0,2,0,0,0,0|2,0,0]=4 4807 B10R1.10 CCNc1cccc(c1)O 1P000XKE [0,2,0,0,0,0|2,0,0]=4 4808 B10R1.10 CCNc1cccc(c1)O 1P00EUNZ [0,2,0,0,0,0|2,0,0]=4 4809 B10R1.10 CCNc1ccnc(n1)Cl 1P004XQZ [0,2,0,0,0,0|2,0,0]=4 4810 B10R1.10 CCNc1nccc(n1)Cl 1P004LVW [0,2,0,0,0,0|2,0,0]=4 4811 B10R1.10 CCOc1cc(Br)ccn1 1P00EGBH [0,2,0,0,0,0|1,0,0]=3 4812 B10R1.10 CCOc1cc(Cl)ncn1 1P00C28U [0,2,0,0,0,0|2,0,0]=4 4813 B10R1.10 CCOc1cc(N)ccn1 1P003L57 [0,2,0,0,0,0|1,0,0]=3 4814 B10R1.10 CCOc1cccc(=N)[nH]1 1P0058P0 [0,2,0,0,0,0|1,0,1]=4 4815 B10R1.10 CCOc1cccc(c1)Br 1P002U57 [0,2,0,0,0,0|2,0,0]=4 4816 B10R1.10 CCOc1cccc(c1)F 1P00I906 [0,2,0,0,0,0|2,0,0]=4 4817 B10R1.10 CCOc1cccc(c1)I 1P00BG0X [0,2,0,0,0,0|2,0,0]=4 4818 B10R1.10 CCOc1cccc(c1)N 1P0037EN [0,2,0,0,0,0|2,0,0]=4 4819 B10R1.10 CCOc1cccc(c1)O 1P003JUL [0,2,0,0,0,0|2,0,0]=4 4820 B10R1.10 CCOc1cccc(c1)S 1P003JUE [0,2,0,0,0,0|2,0,0]=4 4821 B10R1.10 CCOc1cccc(n1)Br 1P003H7B [0,2,0,0,0,0|1,0,0]=3 4822 B10R1.10 CCOc1cccc(n1)C 1P00ANFJ [0,2,0,0,0,0|1,0,0]=3 4823 B10R1.10 CCOc1cccc(n1)Cl 1P003HGT [0,2,0,0,0,0|1,0,0]=3 4824 B10R1.10 CCOc1cccc(n1)F 1P004NYZ [0,2,0,0,0,0|1,0,0]=3 4825 B10R1.10 CCOc1cccc(n1)N 1P01B7WC [0,2,0,0,0,0|1,0,0]=3 4826 B10R1.10 CCOc1ccnc(n1)C 1P00CDGK [0,2,0,0,0,0|2,0,0]=4 4827 B10R1.10 CCOc1ccnc(n1)Cl 1P0036V8 [0,2,0,0,0,0|2,0,0]=4 4828 B10R1.10 CCOc1cncc(c1)Br 1P0078AD [0,2,0,0,0,0|1,0,0]=3 4829 B10R1.10 CCOc1cncc(c1)N 1P00DGRJ [0,2,0,0,0,0|1,0,0]=3 4830 B10R1.10 CCOc1cncc(n1)C 1P00DGGE [0,2,0,0,0,0|0,0,0]=2 4831 B10R1.10 CCOc1cncc(n1)Cl 1P00A101 [0,2,0,0,0,0|0,0,0]=2 4832 B10R1.10 CCOc1cncc(n1)N 1P01C501 [0,2,0,0,0,0|0,0,0]=2 4833 B10R1.10 CCOc1cnnc(c1)Cl 1P00IG76 [0,2,0,0,0,0|2,0,0]=4 4834 B10R1.10 CCOc1nccc(=N)[nH]1 1P00C82A [0,2,0,0,0,0|2,0,0]=4 4835 B10R1.10 CCOc1ncnc(c1)C 1P007220 [0,2,0,0,0,0|2,0,0]=4 4836 B10R1.10 CCSc1cccc(=O)[nH]1 1P01DWC2 [0,2,0,0,0,0|1,0,1]=4 4837 B10R1.10 CCSc1cccc(c1)Br 1P0023MI [0,2,0,0,0,0|2,0,0]=4 4838 B10R1.10 CCSc1cccc(c1)C 1P00CURM [0,2,0,0,0,0|2,0,0]=4 4839 B10R1.10 CCSc1cccc(c1)N 1P0026DH [0,2,0,0,0,0|2,0,0]=4 4840 B10R1.10 CCSc1cncc(n1)Cl 1P01A8BS [0,2,0,0,0,0|0,0,0]=2 4841 B10R1.10 CCSc1nccc(n1)N 1P00DDQA [0,2,0,0,0,0|2,0,0]=4 4842 B10R1.10 CNCc1cc(Cl)ccn1 1P00H4HS [0,2,0,0,0,0|1,0,0]=3 4843 B10R1.10 CNCc1cc(Cl)ccn1 1P01FJ5P [0,2,0,0,0,0|1,0,0]=3 4844 B10R1.10 CNCc1cc(N)ccn1 1P01ON9H [0,2,0,0,0,0|1,0,0]=3 4845 B10R1.10 CNCc1cc(O)ccn1 1P0289ZZ [0,2,0,0,0,0|1,0,0]=3 4846 B10R1.10 CNCc1cccc(=O)[nH]1 1P01EJJL [0,2,0,0,0,0|1,0,1]=4 4847 B10R1.10 CNCc1cccc(c1)Br 1P003C82 [0,2,0,0,0,0|2,0,0]=4 4848 B10R1.10 CNCc1cccc(c1)Br 1P003TNA [0,2,0,0,0,0|2,0,0]=4 4849 B10R1.10 CNCc1cccc(c1)C 1P003K89 [0,2,0,0,0,0|2,0,0]=4 4850 B10R1.10 CNCc1cccc(c1)C 1P028EM9 [0,2,0,0,0,0|2,0,0]=4 4851 B10R1.10 CNCc1cccc(c1)Cl 1P003JRN [0,2,0,0,0,0|2,0,0]=4 4852 B10R1.10 CNCc1cccc(c1)Cl 1P006R42 [0,2,0,0,0,0|2,0,0]=4 4853 B10R1.10 CNCc1cccc(c1)F 1P003C90 [0,2,0,0,0,0|2,0,0]=4 4854 B10R1.10 CNCc1cccc(c1)I 1P01RCKU [0,2,0,0,0,0|2,0,0]=4 4855 B10R1.10 CNCc1cccc(c1)N 1P003JE0 [0,2,0,0,0,0|2,0,0]=4 4856 B10R1.10 CNCc1cccc(c1)O 1P000LPH [0,2,0,0,0,0|2,0,0]=4 4857 B10R1.10 CNCc1cccc(n1)Br 1P00FM76 [0,2,0,0,0,0|1,0,0]=3 4858 B10R1.10 CNCc1cccc(n1)Br 1P028O9D [0,2,0,0,0,0|1,0,0]=3 4859 B10R1.10 CNCc1cccc(n1)C 1P005V6F [0,2,0,0,0,0|1,0,0]=3 4860 B10R1.10 CNCc1cccc(n1)C 1P01AKXB [0,2,0,0,0,0|1,0,0]=3 4861 B10R1.10 CNCc1cccc(n1)Cl 1P028Q45 [0,2,0,0,0,0|1,0,0]=3 4862 B10R1.10 CNCc1cncc(c1)Br 1P00FDLE [0,2,0,0,0,0|1,0,0]=3 4863 B10R1.10 CNCc1cncc(c1)Br 1P0282KH [0,2,0,0,0,0|1,0,0]=3 4864 B10R1.10 CNCc1cncc(c1)F 1P01JLRI [0,2,0,0,0,0|1,0,0]=3 4865 B10R1.10 CNCc1nccc(c1)C 1P028TVU [0,2,0,0,0,0|1,0,0]=3 4866 B10R1.10 COCc1cc(Cl)ncn1 1P00C2P4 [0,2,0,0,0,0|2,0,0]=4 4867 B10R1.10 COCc1cc(N)ncn1 1P00C2EB [0,2,0,0,0,0|2,0,0]=4 4868 B10R1.10 COCc1cc(O)ncn1 1P00C2GB [0,2,0,0,0,0|2,0,0]=4 4869 B10R1.10 COCc1cccc(c1)Br 1P001NU4 [0,2,0,0,0,0|2,0,0]=4 4870 B10R1.10 COCc1cccc(c1)C 1P01H9A5 [0,2,0,0,0,0|2,0,0]=4 4871 B10R1.10 COCc1cccc(c1)N 1P003IPB [0,2,0,0,0,0|2,0,0]=4 4872 B10R1.10 COCc1cccc(c1)O 1P00IANX [0,2,0,0,0,0|2,0,0]=4 4873 B10R1.10 COCc1cccc(n1)Br 1P00921P [0,2,0,0,0,0|1,0,0]=3 4874 B10R1.10 COCc1cccc(n1)C 1P01IP80 [0,2,0,0,0,0|1,0,0]=3 4875 B10R1.10 COCc1ccnc(n1)Cl 1P000Z3C [0,2,0,0,0,0|2,0,0]=4 4876 B10R1.10 COCc1ccnc(n1)N 1P00A7S2 [0,2,0,0,0,0|2,0,0]=4 4877 B10R1.10 COCc1cncc(c1)Br 1P001ZTN [0,2,0,0,0,0|1,0,0]=3 4878 B10R1.10 COCc1nccc(n1)Cl 1P01BJPW [0,2,0,0,0,0|2,0,0]=4 4879 B10R1.10 COCc1nccc(n1)N 1P003L4I [0,2,0,0,0,0|2,0,0]=4 4880 B10R1.10 CSCc1cccc(c1)Br 1P00ID71 [0,2,0,0,0,0|2,0,0]=4 4881 B10R1.10 CSCc1cccc(c1)F 1P01DIBF [0,2,0,0,0,0|2,0,0]=4 4882 B10R1.10 CSCc1cccc(c1)N 1P01AHLX [0,2,0,0,0,0|2,0,0]=4 4883 B10R1.10 Cc1cccc(n1)CC#N 1P001MM5 [0,2,0,0,0,0|1,0,1]=4 4884 B10R1.10 Cc1cccc(n1)CCBr 1P00J2ET [0,2,0,0,0,0|1,0,0]=3 4885 B10R1.10 Cc1cccc(n1)CCN 1P003FF8 [0,2,0,0,0,0|1,0,0]=3 4886 B10R1.10 Cc1cccc(n1)CCO 1P00GRQ8 [0,2,0,0,0,0|1,0,0]=3 4887 B10R1.10 Cc1cncc(n1)CCO 1P01C499 [0,2,0,0,0,0|0,0,0]=2 4888 B10R1.10 ClCCc1cccc(c1)C 1P00CS1D [0,2,0,0,0,0|2,0,0]=4 4889 B10R1.10 ClCCc1cccc(c1)Cl 1P00DRJV [0,2,0,0,0,0|2,0,0]=4 4890 B10R1.10 ClCCc1cccc(c1)F 1P00CRES [0,2,0,0,0,0|2,0,0]=4 4891 B10R1.10 ClCCc1cncc(c1)F 1P01EM8Z [0,2,0,0,0,0|1,0,0]=3 4892 B10R1.10 Clc1cc(CC#N)ncc1 1P00015V [0,2,0,0,0,0|1,0,1]=4 4893 B10R1.10 Clc1cc(CCBr)ncc1 1P0291JG [0,2,0,0,0,0|1,0,0]=3 4894 B10R1.10 Clc1cccc(n1)CC#N 1P005N5N [0,2,0,0,0,0|1,0,1]=4 4895 B10R1.10 Clc1cncc(n1)CC#N 1P0014D8 [0,2,0,0,0,0|0,0,1]=3 4896 B10R1.10 FCCc1cccc(c1)N 1P028L7R [0,2,0,0,0,0|2,0,0]=4 4897 B10R1.10 FCOc1cncc(c1)Br 1P0280DK [0,2,0,0,0,0|2,0,0]=4 4898 B10R1.10 Fc1cc(CC#N)ncc1 1P00014V [0,2,0,0,0,0|1,0,1]=4 4899 B10R1.10 Fc1cccc(n1)CC#N 1P00BXLZ [0,2,0,0,0,0|1,0,1]=4 4900 B10R1.10 N#CCc1cncc(c1)Br 1P00BZCH [0,2,0,0,0,0|1,0,1]=4 4901 B10R1.10 N#CCc1cncc(c1)Cl 1P00CMT8 [0,2,0,0,0,0|1,0,1]=4 4902 B10R1.10 N#CCc1cncc(c1)F 1P00CMVZ [0,2,0,0,0,0|1,0,1]=4 4903 B10R1.10 NCCc1cc(Br)ncn1 1P028S37 [0,2,0,0,0,0|2,0,0]=4 4904 B10R1.10 NCCc1cc(O)ncn1 1P0280WI [0,2,0,0,0,0|2,0,0]=4 4905 B10R1.10 NCCc1cccc(=O)[nH]1 1P00J3AI [0,2,0,0,0,0|1,0,1]=4 4906 B10R1.10 NCCc1cccc(c1)Br 1P0037LP [0,2,0,0,0,0|2,0,0]=4 4907 B10R1.10 NCCc1cccc(c1)C 1P00DEU2 [0,2,0,0,0,0|2,0,0]=4 4908 B10R1.10 NCCc1cccc(c1)C 1P00DGLD [0,2,0,0,0,0|2,0,0]=4 4909 B10R1.10 NCCc1cccc(c1)Cl 1P003JRS [0,2,0,0,0,0|2,0,0]=4 4910 B10R1.10 NCCc1cccc(c1)F 1P003JY5 [0,2,0,0,0,0|2,0,0]=4 4911 B10R1.10 NCCc1cccc(c1)I 1P01FXNY [0,2,0,0,0,0|2,0,0]=4 4912 B10R1.10 NCCc1cccc(c1)I 1P027YWC [0,2,0,0,0,0|2,0,0]=4 4913 B10R1.10 NCCc1cccc(c1)N 1P004DKM [0,2,0,0,0,0|2,0,0]=4 4914 B10R1.10 NCCc1cccc(c1)N 1P00G36E [0,2,0,0,0,0|2,0,0]=4 4915 B10R1.10 NCCc1cccc(c1)O 1P003K1G [0,2,0,0,0,0|2,0,0]=4 4916 B10R1.10 NCCc1cccc(c1)O 1P00C9GZ [0,2,0,0,0,0|2,0,0]=4 4917 B10R1.10 NCCc1cccc(c1)O 1P00EA8W [0,2,0,0,0,0|2,0,0]=4 4918 B10R1.10 NCCc1cccc(n1)F 1P01A0E1 [0,2,0,0,0,0|1,0,0]=3 4919 B10R1.10 NCCc1ccnc(n1)C 1P028RYD [0,2,0,0,0,0|2,0,0]=4 4920 B10R1.10 NCCc1ccnc(n1)N 1P027WCC [0,2,0,0,0,0|2,0,0]=4 4921 B10R1.10 NCCc1ccnc(n1)O 1P0289IN [0,2,0,0,0,0|2,0,0]=4 4922 B10R1.10 NCCc1cncc(c1)F 1P0095P2 [0,2,0,0,0,0|1,0,0]=3 4923 B10R1.10 NCCc1cncc(c1)O 1P01B87N [0,2,0,0,0,0|1,0,0]=3 4924 B10R1.10 NCCc1nccc(=O)[nH]1 1P027KCX [0,2,0,0,0,0|2,0,0]=4 4925 B10R1.10 NCCc1nccc(n1)C 1P01DXCF [0,2,0,0,0,0|2,0,0]=4 4926 B10R1.10 NCCc1ncnc(c1)O 1P0289J1 [0,2,0,0,0,0|2,0,0]=4 4927 B10R1.10 NNCc1cccc(n1)C 1P01B78Y [0,2,0,0,0,0|2,0,0]=4 4928 B10R1.10 NNCc1cncc(c1)F 1P028MND [0,2,0,0,0,0|2,0,0]=4 4929 B10R1.10 NOCc1cccc(n1)C 1P01AG90 [0,2,0,0,0,0|2,0,0]=4 4930 B10R1.10 NOCc1cccc(n1)Cl 1P00BB7Z [0,2,0,0,0,0|2,0,0]=4 4931 B10R1.10 Nc1cc(CCO)ncc1 1P009SDJ [0,2,0,0,0,0|1,0,0]=3 4932 B10R1.10 Nc1cc(CCO)ncn1 1P01WK8I [0,2,0,0,0,0|2,0,0]=4 4933 B10R1.10 Nc1cccc(n1)CC#N 1P01BD7V [0,2,0,0,0,0|1,0,1]=4 4934 B10R1.10 Nc1cccc(n1)CCO 1P009SDH [0,2,0,0,0,0|1,0,0]=3 4935 B10R1.10 OCCc1cc(Br)ccn1 1P005W1Y [0,2,0,0,0,0|1,0,0]=3 4936 B10R1.10 OCCc1cccc(c1)Br 1P00343L [0,2,0,0,0,0|2,0,0]=4 4937 B10R1.10 OCCc1cccc(c1)C 1P0075A6 [0,2,0,0,0,0|2,0,0]=4 4938 B10R1.10 OCCc1cccc(c1)Cl 1P003JRR [0,2,0,0,0,0|2,0,0]=4 4939 B10R1.10 OCCc1cccc(c1)F 1P003JY4 [0,2,0,0,0,0|2,0,0]=4 4940 B10R1.10 OCCc1cccc(c1)N 1P00D8JE [0,2,0,0,0,0|2,0,0]=4 4941 B10R1.10 OCCc1cccc(c1)O 1P0071LP [0,2,0,0,0,0|2,0,0]=4 4942 B10R1.10 OCCc1cccc(n1)Br 1P00376A [0,2,0,0,0,0|1,0,0]=3 4943 B10R1.10 OCCc1cncc(c1)Br 1P01DZ2M [0,2,0,0,0,0|1,0,0]=3 4944 B10R1.10 OCCc1cncc(c1)F 1P01JUHV [0,2,0,0,0,0|1,0,0]=3 4945 B10R1.10 OCCc1cncc(n1)Cl 1P027UB1 [0,2,0,0,0,0|0,0,0]=2 4946 B10R1.10 OCCc1nccc(n1)C 1P01BABC [0,2,0,0,0,0|2,0,0]=4 4947 B10R1.10 SCCc1cccc(c1)C 1P01FFL5 [0,2,0,0,0,0|2,0,0]=4 4948 B10R1.30 BrCc1cc(Br)cnc1Br 1P00F5CN [0,2,0,0,0,0|2,0,0]=4 4949 B10R1.30 BrCc1cc(Br)cnc1Cl 1P0282A9 [0,2,0,0,0,0|2,0,0]=4 4950 B10R1.30 BrCc1cc(Br)cnc1N 1P00I727 [0,2,0,0,0,0|2,0,0]=4 4951 B10R1.30 BrCc1cc(C)cnc1Br 1P028529 [0,2,0,0,0,0|2,0,0]=4 4952 B10R1.30 BrCc1cc(Cl)cnc1F 1P01DO3W [0,2,0,0,0,0|2,0,0]=4 4953 B10R1.30 BrCc1cc(F)cnc1Br 1P029343 [0,2,0,0,0,0|2,0,0]=4 4954 B10R1.30 BrCc1nc(Br)ccc1F 1P01K15Z [0,2,0,0,0,0|2,0,0]=4 4955 B10R1.30 BrCc1nc(C)ccc1Br 1P027YVB [0,2,0,0,0,0|2,0,0]=4 4956 B10R1.30 BrCc1nc(Cl)ccc1Cl 1P028S5Z [0,2,0,0,0,0|2,0,0]=4 4957 B10R1.30 BrCc1nc(Cl)ccc1F 1P01A43T [0,2,0,0,0,0|2,0,0]=4 4958 B10R1.30 BrCc1nc(F)ccc1Br 1P00EKUS [0,2,0,0,0,0|2,0,0]=4 4959 B10R1.30 C#Cc1nc(Br)cnc1N 1P008ZIC [0,2,0,0,0,0|0,0,2]=4 4960 B10R1.30 CCc1cc(Br)ccc1Br 1P002XHP [0,2,0,0,0,0|2,0,0]=4 4961 B10R1.30 CCc1cc(Br)ccc1C 1P01C8LC [0,2,0,0,0,0|2,0,0]=4 4962 B10R1.30 CCc1cc(Br)ccc1Cl 1P002XGY [0,2,0,0,0,0|2,0,0]=4 4963 B10R1.30 CCc1cc(Br)ccc1F 1P00EIWS [0,2,0,0,0,0|2,0,0]=4 4964 B10R1.30 CCc1cc(Br)ccc1I 1P0021B3 [0,2,0,0,0,0|2,0,0]=4 4965 B10R1.30 CCc1cc(Br)ccc1N 1P002ZWB [0,2,0,0,0,0|2,0,0]=4 4966 B10R1.30 CCc1cc(Br)ccc1N 1P003LD4 [0,2,0,0,0,0|2,0,0]=4 4967 B10R1.30 CCc1cc(Br)ccc1O 1P002EFG [0,2,0,0,0,0|2,0,0]=4 4968 B10R1.30 CCc1cc(Br)cnc1N 1P01FEQX [0,2,0,0,0,0|1,0,0]=3 4969 B10R1.30 CCc1cc(C)ccc1O 1P00CV2C [0,2,0,0,0,0|2,0,0]=4 4970 B10R1.30 CCc1cc(Cl)ccc1Br 1P01BZBS [0,2,0,0,0,0|2,0,0]=4 4971 B10R1.30 CCc1cc(Cl)ccc1F 1P01BZBL [0,2,0,0,0,0|2,0,0]=4 4972 B10R1.30 CCc1cc(Cl)ccc1I 1P021ZB0 [0,2,0,0,0,0|2,0,0]=4 4973 B10R1.30 CCc1cc(Cl)ccc1N 1P002ZW8 [0,2,0,0,0,0|2,0,0]=4 4974 B10R1.30 CCc1cc(Cl)ccc1N 1P00J2V3 [0,2,0,0,0,0|2,0,0]=4 4975 B10R1.30 CCc1cc(Cl)cnc1N 1P01BY8D [0,2,0,0,0,0|1,0,0]=3 4976 B10R1.30 CCc1cc(Cl)nnc1Cl 1P0038FA [0,2,0,0,0,0|2,0,0]=4 4977 B10R1.30 CCc1cc(Cl)nnc1O 1P00ELH8 [0,2,0,0,0,0|2,0,0]=4 4978 B10R1.30 CCc1cc(F)ccc1Br 1P01BZBH [0,2,0,0,0,0|2,0,0]=4 4979 B10R1.30 CCc1cc(F)ccc1N 1P01FGNP [0,2,0,0,0,0|2,0,0]=4 4980 B10R1.30 CCc1cc(F)ccc1N 1P028ZTG [0,2,0,0,0,0|2,0,0]=4 4981 B10R1.30 CCc1cc(F)ccc1O 1P00C72H [0,2,0,0,0,0|2,0,0]=4 4982 B10R1.30 CCc1cc(I)ccc1Br 1P000BYD [0,2,0,0,0,0|2,0,0]=4 4983 B10R1.30 CCc1cc(I)ccc1C 1P028BTT [0,2,0,0,0,0|2,0,0]=4 4984 B10R1.30 CCc1cc(I)ccc1F 1P0287C9 [0,2,0,0,0,0|2,0,0]=4 4985 B10R1.30 CCc1cc(I)ccc1N 1P0065XD [0,2,0,0,0,0|2,0,0]=4 4986 B10R1.30 CCc1cc(I)ccc1N 1P00J4IM [0,2,0,0,0,0|2,0,0]=4 4987 B10R1.30 CCc1cc(N)ccc1Br 1P01E6KX [0,2,0,0,0,0|2,0,0]=4 4988 B10R1.30 CCc1cc(N)ccc1C 1P007Y1R [0,2,0,0,0,0|2,0,0]=4 4989 B10R1.30 CCc1cc(N)ccc1F 1P01B1VK [0,2,0,0,0,0|2,0,0]=4 4990 B10R1.30 CCc1cc(N)cnc1C 1P028SZB [0,2,0,0,0,0|1,0,0]=3 4991 B10R1.30 CCc1cc(O)ccc1Br 1P00IKT9 [0,2,0,0,0,0|2,0,0]=4 4992 B10R1.30 CCc1cc(O)ccc1Cl 1P001GU1 [0,2,0,0,0,0|2,0,0]=4 4993 B10R1.30 CCc1cc(O)ccc1N 1P01BDOH [0,2,0,0,0,0|2,0,0]=4 4994 B10R1.30 CCc1cc(O)ccc1O 1P002NUU [0,2,0,0,0,0|2,0,0]=4 4995 B10R1.30 CCc1cc(O)nnc1Cl 1P00ELH9 [0,2,0,0,0,0|2,0,0]=4 4996 B10R1.30 CCc1nc(Br)ccc1Br 1P024VRH [0,2,0,0,0,0|1,0,0]=3 4997 B10R1.30 CCc1nc(C)ccc1N 1P020M3R [0,2,0,0,0,0|1,0,0]=3 4998 B10R1.30 CCc1nc(C)ccc1O 1P000XJS [0,2,0,0,0,0|1,0,0]=3 4999 B10R1.30 CCc1nc(C)ccc1O 1P0011CF [0,2,0,0,0,0|1,0,0]=3 5000 B10R1.30 CCc1nc(C)ccc1O 1P002OGM [0,2,0,0,0,0|1,0,0]=3 5001 B10R1.30 CCc1nc(C)cnc1C 1P003A0D [0,2,0,0,0,0|0,0,0]=2 5002 B10R1.30 CCc1nc(C)cnc1C 1P019DEZ [0,2,0,0,0,0|0,0,0]=2 5003 B10R1.30 CCc1nc(Cl)ccc1C 1P00J32K [0,2,0,0,0,0|1,0,0]=3 5004 B10R1.30 CCc1nc(Cl)ccc1Cl 1P01FJ5C [0,2,0,0,0,0|1,0,0]=3 5005 B10R1.30 CCc1nc(Cl)ccc1N 1P00IGX9 [0,2,0,0,0,0|1,0,0]=3 5006 B10R1.30 CCc1nc(Cl)ncc1C 1P00J2QD [0,2,0,0,0,0|2,0,0]=4 5007 B10R1.30 CCc1nc(Cl)ncc1F 1P0013GK [0,2,0,0,0,0|2,0,0]=4 5008 B10R1.30 CCc1nc(N)ccc1Br 1P004RA7 [0,2,0,0,0,0|1,0,0]=3 5009 B10R1.30 CCc1nc(N)ncc1C 1P00C8ZH [0,2,0,0,0,0|2,0,0]=4 5010 B10R1.30 CCc1nc(O)ncc1C 1P009EDY [0,2,0,0,0,0|2,0,0]=4 5011 B10R1.30 CNc1cc(Br)cnc1Br 1P027OIK [0,2,0,0,0,0|2,0,0]=4 5012 B10R1.30 CNc1cc(Br)cnc1N 1P001WX5 [0,2,0,0,0,0|2,0,0]=4 5013 B10R1.30 CNc1nc(Br)cnc1N 1P003GWY [0,2,0,0,0,0|1,0,0]=3 5014 B10R1.30 CNc1nc(C)cnc1C 1P027YCH [0,2,0,0,0,0|1,0,0]=3 5015 B10R1.30 CNc1nc(Cl)ccc1Br 1P00I1Y2 [0,2,0,0,0,0|2,0,0]=4 5016 B10R1.30 CNc1nc(Cl)ccc1N 1P0045DS [0,2,0,0,0,0|2,0,0]=4 5017 B10R1.30 COc1cc(Br)cnc1C 1P000G9Z [0,2,0,0,0,0|2,0,0]=4 5018 B10R1.30 COc1cc(Br)cnc1Cl 1P002WL0 [0,2,0,0,0,0|2,0,0]=4 5019 B10R1.30 COc1cc(Br)cnc1F 1P003A7E [0,2,0,0,0,0|2,0,0]=4 5020 B10R1.30 COc1cc(Br)cnc1I 1P00IIOB [0,2,0,0,0,0|2,0,0]=4 5021 B10R1.30 COc1cc(Br)cnc1N 1P003GX1 [0,2,0,0,0,0|2,0,0]=4 5022 B10R1.30 COc1cc(Br)cnc1N 1P028O1T [0,2,0,0,0,0|2,0,0]=4 5023 B10R1.30 COc1cc(C)cnc1Cl 1P0094NJ [0,2,0,0,0,0|2,0,0]=4 5024 B10R1.30 COc1cc(Cl)cnc1F 1P01DO3U [0,2,0,0,0,0|2,0,0]=4 5025 B10R1.30 COc1cc(Cl)cnc1I 1P01ELKC [0,2,0,0,0,0|2,0,0]=4 5026 B10R1.30 COc1cc(F)cnc1Br 1P009ARZ [0,2,0,0,0,0|2,0,0]=4 5027 B10R1.30 COc1cc(F)cnc1Cl 1P00HC1Q [0,2,0,0,0,0|2,0,0]=4 5028 B10R1.30 COc1cc(F)cnc1N 1P00HC1R [0,2,0,0,0,0|2,0,0]=4 5029 B10R1.30 COc1cc(N)cnc1Br 1P0006UL [0,2,0,0,0,0|2,0,0]=4 5030 B10R1.30 COc1cc(N)cnc1Cl 1P005VO9 [0,2,0,0,0,0|2,0,0]=4 5031 B10R1.30 COc1cc(O)cnc1C 1P028B40 [0,2,0,0,0,0|2,0,0]=4 5032 B10R1.30 COc1cc(O)cnc1Cl 1P00HC7M [0,2,0,0,0,0|2,0,0]=4 5033 B10R1.30 COc1nc(Br)c[nH]c1=O 1P00H3C6 [0,2,0,0,0,0|1,0,1]=4 5034 B10R1.30 COc1nc(Br)ccc1Cl 1P009JYE [0,2,0,0,0,0|2,0,0]=4 5035 B10R1.30 COc1nc(Br)ccc1N 1P0034SS [0,2,0,0,0,0|2,0,0]=4 5036 B10R1.30 COc1nc(Br)ccc1O 1P00I1PG [0,2,0,0,0,0|2,0,0]=4 5037 B10R1.30 COc1nc(Br)cnc1Br 1P00DH5N [0,2,0,0,0,0|1,0,0]=3 5038 B10R1.30 COc1nc(Br)cnc1Cl 1P00414Q [0,2,0,0,0,0|1,0,0]=3 5039 B10R1.30 COc1nc(Br)cnc1I 1P00707P [0,2,0,0,0,0|1,0,0]=3 5040 B10R1.30 COc1nc(Br)cnc1N 1P0034OO [0,2,0,0,0,0|1,0,0]=3 5041 B10R1.30 COc1nc(C)ccc1Br 1P003JHC [0,2,0,0,0,0|2,0,0]=4 5042 B10R1.30 COc1nc(C)ccc1F 1P0079YX [0,2,0,0,0,0|2,0,0]=4 5043 B10R1.30 COc1nc(C)ccc1N 1P00I29Q [0,2,0,0,0,0|2,0,0]=4 5044 B10R1.30 COc1nc(C)ccc1O 1P00CHN8 [0,2,0,0,0,0|2,0,0]=4 5045 B10R1.30 COc1nc(C)cnc1C 1P002C04 [0,2,0,0,0,0|1,0,0]=3 5046 B10R1.30 COc1nc(C)cnc1Cl 1P01JZWT [0,2,0,0,0,0|1,0,0]=3 5047 B10R1.30 COc1nc(C)cnc1N 1P0088KP [0,2,0,0,0,0|1,0,0]=3 5048 B10R1.30 COc1nc(Cl)c[nH]c1=O 1P028U7O [0,2,0,0,0,0|1,0,1]=4 5049 B10R1.30 COc1nc(Cl)ccc1Br 1P00814K [0,2,0,0,0,0|2,0,0]=4 5050 B10R1.30 COc1nc(Cl)ccc1Cl 1P0015FR [0,2,0,0,0,0|2,0,0]=4 5051 B10R1.30 COc1nc(Cl)ccc1F 1P000S8N [0,2,0,0,0,0|2,0,0]=4 5052 B10R1.30 COc1nc(Cl)ccc1I 1P000SG5 [0,2,0,0,0,0|2,0,0]=4 5053 B10R1.30 COc1nc(Cl)ccc1N 1P006BHU [0,2,0,0,0,0|2,0,0]=4 5054 B10R1.30 COc1nc(Cl)cnc1Br 1P01FRIZ [0,2,0,0,0,0|1,0,0]=3 5055 B10R1.30 COc1nc(Cl)cnc1N 1P00H39X [0,2,0,0,0,0|1,0,0]=3 5056 B10R1.30 COc1nc(Cl)nnc1Cl 1P01A6VE [0,2,0,0,0,0|2,0,0]=4 5057 B10R1.30 COc1nc(F)ccc1Br 1P009YQD [0,2,0,0,0,0|2,0,0]=4 5058 B10R1.30 COc1nc(N)ccc1Br 1P009C9S [0,2,0,0,0,0|2,0,0]=4 5059 B10R1.30 COc1nc(N)ccc1Cl 1P005DTZ [0,2,0,0,0,0|2,0,0]=4 5060 B10R1.30 COc1nc(N)cnc1Br 1P01FT1Z [0,2,0,0,0,0|1,0,0]=3 5061 B10R1.30 COc1nc(O)ccc1N 1P01DXRD [0,2,0,0,0,0|2,0,0]=4 5062 B10R1.30 CSc1cc(C)cnc1Br 1P00I153 [0,2,0,0,0,0|2,0,0]=4 5063 B10R1.30 CSc1cc(Cl)cnc1Cl 1P00A0J8 [0,2,0,0,0,0|2,0,0]=4 5064 B10R1.30 ClCc1cc(Br)cnc1Cl 1P000609 [0,2,0,0,0,0|2,0,0]=4 5065 B10R1.30 ClCc1cc(Br)cnc1F 1P01DZ01 [0,2,0,0,0,0|2,0,0]=4 5066 B10R1.30 ClCc1cc(C)cnc1F 1P028NRC [0,2,0,0,0,0|2,0,0]=4 5067 B10R1.30 ClCc1cc(Cl)cnc1Br 1P00HHDT [0,2,0,0,0,0|2,0,0]=4 5068 B10R1.30 ClCc1cc(F)cnc1Cl 1P009XYO [0,2,0,0,0,0|2,0,0]=4 5069 B10R1.30 ClCc1nc(C)ccc1Br 1P01JV22 [0,2,0,0,0,0|2,0,0]=4 5070 B10R1.30 ClCc1nc(C)ccc1C 1P028W29 [0,2,0,0,0,0|2,0,0]=4 5071 B10R1.30 ClCc1nc(C)ccc1Cl 1P00OFF5 [0,2,0,0,0,0|2,0,0]=4 5072 B10R1.30 ClCc1nc(C)ccc1O 1P005VXR [0,2,0,0,0,0|2,0,0]=4 5073 B10R1.30 ClCc1nc(Cl)ccc1Cl 1P00EEEB [0,2,0,0,0,0|2,0,0]=4 5074 B10R1.30 ClCc1nc(Cl)ccc1F 1P01XCBJ [0,2,0,0,0,0|2,0,0]=4 5075 B10R1.30 ClCc1nc(F)ccc1Br 1P019FHT [0,2,0,0,0,0|2,0,0]=4 5076 B10R1.30 FCc1cc(Br)cnc1Cl 1P027ROG [0,2,0,0,0,0|2,0,0]=4 5077 B10R1.30 N#Cc1nc(Br)cnc1Br 1P008060 [0,2,0,0,0,0|1,0,1]=4 5078 B10R1.30 N#Cc1nc(Br)cnc1Cl 1P000OZF [0,2,0,0,0,0|1,0,1]=4 5079 B10R1.30 N#Cc1nc(Br)cnc1N 1P003JDK [0,2,0,0,0,0|1,0,1]=4 5080 B10R1.30 N#Cc1nc(C)cnc1Cl 1P0012LJ [0,2,0,0,0,0|1,0,1]=4 5081 B10R1.30 N#Cc1nc(C)cnc1N 1P0026XE [0,2,0,0,0,0|1,0,1]=4 5082 B10R1.30 N#Cc1nc(Cl)cnc1Cl 1P00C6TW [0,2,0,0,0,0|1,0,1]=4 5083 B10R1.30 N#Cc1nc(Cl)cnc1N 1P007WKA [0,2,0,0,0,0|1,0,1]=4 5084 B10R1.30 N#Cc1nc(F)cnc1F 1P00CJAW [0,2,0,0,0,0|1,0,1]=4 5085 B10R1.30 N#Cc1nc(F)cnc1O 1P00C6TX [0,2,0,0,0,0|1,0,1]=4 5086 B10R1.30 NCc1cc(Br)cnc1Br 1P0282GZ [0,2,0,0,0,0|2,0,0]=4 5087 B10R1.30 NCc1cc(Br)cnc1C 1P00HGG8 [0,2,0,0,0,0|2,0,0]=4 5088 B10R1.30 NCc1cc(Br)cnc1Cl 1P009DTX [0,2,0,0,0,0|2,0,0]=4 5089 B10R1.30 NCc1cc(Br)cnc1F 1P00HXBA [0,2,0,0,0,0|2,0,0]=4 5090 B10R1.30 NCc1cc(Br)cnc1N 1P01B8JW [0,2,0,0,0,0|2,0,0]=4 5091 B10R1.30 NCc1cc(Br)cnc1N 1P02843Q [0,2,0,0,0,0|2,0,0]=4 5092 B10R1.30 NCc1cc(Br)cnc1O 1P028OOY [0,2,0,0,0,0|2,0,0]=4 5093 B10R1.30 NCc1cc(C)cnc1Br 1P028B5J [0,2,0,0,0,0|2,0,0]=4 5094 B10R1.30 NCc1cc(C)cnc1Cl 1P00A0HU [0,2,0,0,0,0|2,0,0]=4 5095 B10R1.30 NCc1cc(C)cnc1F 1P004L36 [0,2,0,0,0,0|2,0,0]=4 5096 B10R1.30 NCc1cc(Cl)cnc1F 1P027W0L [0,2,0,0,0,0|2,0,0]=4 5097 B10R1.30 NCc1cc(Cl)cnc1N 1P0283NF [0,2,0,0,0,0|2,0,0]=4 5098 B10R1.30 NCc1cc(F)cnc1Br 1P00HX6B [0,2,0,0,0,0|2,0,0]=4 5099 B10R1.30 NCc1cc(F)cnc1C 1P028BFU [0,2,0,0,0,0|2,0,0]=4 5100 B10R1.30 NCc1cc(F)cnc1Cl 1P01ANOQ [0,2,0,0,0,0|2,0,0]=4 5101 B10R1.30 NCc1nc(Br)ccc1C 1P0208A7 [0,2,0,0,0,0|2,0,0]=4 5102 B10R1.30 NCc1nc(C)ccc1Br 1P028OBE [0,2,0,0,0,0|2,0,0]=4 5103 B10R1.30 NCc1nc(C)ccc1C 1P01BKZU [0,2,0,0,0,0|2,0,0]=4 5104 B10R1.30 NCc1nc(C)ccc1Cl 1P028KDA [0,2,0,0,0,0|2,0,0]=4 5105 B10R1.30 NCc1nc(C)ccc1F 1P009DVJ [0,2,0,0,0,0|2,0,0]=4 5106 B10R1.30 NCc1nc(C)ccc1O 1P028NTG [0,2,0,0,0,0|2,0,0]=4 5107 B10R1.30 NCc1nc(C)ccc1O 1P028O4U [0,2,0,0,0,0|2,0,0]=4 5108 B10R1.30 NCc1nc(Cl)ccc1Br 1P027YJ8 [0,2,0,0,0,0|2,0,0]=4 5109 B10R1.30 NCc1nc(Cl)ccc1Cl 1P027WGJ [0,2,0,0,0,0|2,0,0]=4 5110 B10R1.30 NCc1nc(Cl)ccc1F 1P01KLI7 [0,2,0,0,0,0|2,0,0]=4 5111 B10R1.30 NCc1nc(N)ccc1Cl 1P01A9KD [0,2,0,0,0,0|2,0,0]=4 5112 B10R1.30 O=Cc1nc(Br)cnc1Br 1P000X3D [0,2,0,0,0,0|1,0,1]=4 5113 B10R1.30 O=Cc1nc(Br)cnc1N 1P000PTB [0,2,0,0,0,0|1,0,1]=4 5114 B10R1.30 O=Cc1nc(Cl)cnc1Cl 1P009WZZ [0,2,0,0,0,0|1,0,1]=4 5115 B10R1.30 O=Cc1nc(Cl)cnc1N 1P00IG30 [0,2,0,0,0,0|1,0,1]=4 5116 B10R1.30 OCc1cc(Br)cnc1C 1P00ILCT [0,2,0,0,0,0|2,0,0]=4 5117 B10R1.30 OCc1cc(Br)cnc1Cl 1P005DSB [0,2,0,0,0,0|2,0,0]=4 5118 B10R1.30 OCc1cc(Br)cnc1F 1P000JUI [0,2,0,0,0,0|2,0,0]=4 5119 B10R1.30 OCc1cc(Br)cnc1N 1P003GWX [0,2,0,0,0,0|2,0,0]=4 5120 B10R1.30 OCc1cc(C)cnc1Cl 1P00DDE3 [0,2,0,0,0,0|2,0,0]=4 5121 B10R1.30 OCc1cc(Cl)cnc1Br 1P000JT6 [0,2,0,0,0,0|2,0,0]=4 5122 B10R1.30 OCc1cc(Cl)cnc1Cl 1P00IAFN [0,2,0,0,0,0|2,0,0]=4 5123 B10R1.30 OCc1cc(Cl)cnc1F 1P008D43 [0,2,0,0,0,0|2,0,0]=4 5124 B10R1.30 OCc1cc(F)cnc1C 1P01BVKV [0,2,0,0,0,0|2,0,0]=4 5125 B10R1.30 OCc1cc(F)cnc1Cl 1P00GSVH [0,2,0,0,0,0|2,0,0]=4 5126 B10R1.30 OCc1cc(I)cnc1N 1P003C26 [0,2,0,0,0,0|2,0,0]=4 5127 B10R1.30 OCc1cc(N)cnc1Br 1P028AYG [0,2,0,0,0,0|2,0,0]=4 5128 B10R1.30 OCc1nc(Br)ccc1Br 1P01KLRL [0,2,0,0,0,0|2,0,0]=4 5129 B10R1.30 OCc1nc(Br)ccc1F 1P006CDZ [0,2,0,0,0,0|2,0,0]=4 5130 B10R1.30 OCc1nc(Br)cnc1N 1P000RYW [0,2,0,0,0,0|1,0,0]=3 5131 B10R1.30 OCc1nc(C)ccc1Br 1P00JYKK [0,2,0,0,0,0|2,0,0]=4 5132 B10R1.30 OCc1nc(C)ccc1C 1P004WQH [0,2,0,0,0,0|2,0,0]=4 5133 B10R1.30 OCc1nc(C)ccc1N 1P00I6LL [0,2,0,0,0,0|2,0,0]=4 5134 B10R1.30 OCc1nc(C)ccc1O 1P003FJ8 [0,2,0,0,0,0|2,0,0]=4 5135 B10R1.30 OCc1nc(Cl)ccc1Br 1P000JUD [0,2,0,0,0,0|2,0,0]=4 5136 B10R1.30 OCc1nc(Cl)ccc1Cl 1P00F2BN [0,2,0,0,0,0|2,0,0]=4 5137 B10R1.30 OCc1nc(F)ccc1Br 1P01A7DS [0,2,0,0,0,0|2,0,0]=4 5138 B10R1.30 OCc1nc(N)ccc1Cl 1P01AKEQ [0,2,0,0,0,0|2,0,0]=4 5139 B10R1.113 Brc1cccc(c1)C(Br)C 1P00ELOM [0,2,0,0,0,0|2,0,0]=4 5140 B10R1.113 Brc1cccc(c1)C(C)C 1P00343H [0,2,0,0,0,0|2,0,0]=4 5141 B10R1.113 Brc1cccc(c1)C(Cl)C 1P002CJP [0,2,0,0,0,0|2,0,0]=4 5142 B10R1.113 Brc1cccc(c1)C(F)C 1P01BWJ9 [0,2,0,0,0,0|2,0,0]=4 5143 B10R1.113 Brc1cccc(c1)C(N)C 1P003DD5 [0,2,0,0,0,0|2,0,0]=4 5144 B10R1.113 Brc1cccc(c1)C(N)C 1P00GUE1 [0,2,0,0,0,0|2,0,0]=4 5145 B10R1.113 Brc1cccc(c1)C(O)C 1P003DD6 [0,2,0,0,0,0|2,0,0]=4 5146 B10R1.113 Brc1cccc(c1)C(S)C 1P01ALX8 [0,2,0,0,0,0|2,0,0]=4 5147 B10R1.113 Brc1cccc(c1)[C@@H](N)C 1P001B71 [0,2,0,0,0,0|2,0,0]=4 5148 B10R1.113 Brc1cccc(c1)[C@@H](N)C 1P01DUN8 [0,2,0,0,0,0|2,0,0]=4 5149 B10R1.113 Brc1cccc(c1)[C@@H](O)C 1P009B9B [0,2,0,0,0,0|2,0,0]=4 5150 B10R1.113 Brc1cccc(c1)[C@H](N)C 1P0025AP [0,2,0,0,0,0|2,0,0]=4 5151 B10R1.113 Brc1cccc(c1)[C@H](N)C 1P00HE7L [0,2,0,0,0,0|2,0,0]=4 5152 B10R1.113 Brc1cccc(c1)[C@H](O)C 1P00HTTB [0,2,0,0,0,0|2,0,0]=4 5153 B10R1.113 Brc1cccc(n1)C(=O)C 1P003GRS [0,2,0,0,0,0|1,0,1]=4 5154 B10R1.113 Brc1cccc(n1)C(Br)Br 1P00G866 [0,2,0,0,0,0|2,0,0]=4 5155 B10R1.113 Brc1cccc(n1)C(C)C 1P003H7M [0,2,0,0,0,0|1,0,0]=3 5156 B10R1.113 Brc1cccc(n1)C(F)F 1P00IN39 [0,2,0,0,0,0|2,0,0]=4 5157 B10R1.113 Brc1cccc(n1)C(N)C 1P01JNW8 [0,2,0,0,0,0|1,0,0]=3 5158 B10R1.113 Brc1cccc(n1)C(N)C 1P024FZ4 [0,2,0,0,0,0|1,0,0]=3 5159 B10R1.113 Brc1cccc(n1)C(O)C 1P009E7E [0,2,0,0,0,0|1,0,0]=3 5160 B10R1.113 Brc1cccc(n1)N(C)C 1P0082NC [0,2,0,0,0,0|2,0,0]=4 5161 B10R1.113 Brc1cccc(n1)[C@@H](N)C 1P01DE5H [0,2,0,0,0,0|1,0,0]=3 5162 B10R1.113 Brc1cccc(n1)[C@@H](N)C 1P01DE9J [0,2,0,0,0,0|1,0,0]=3 5163 B10R1.113 Brc1cccc(n1)[C@@H](N)C 1P024G22 [0,2,0,0,0,0|1,0,0]=3 5164 B10R1.113 Brc1cccc(n1)[C@H](N)C 1P01DE5Y [0,2,0,0,0,0|1,0,0]=3 5165 B10R1.113 Brc1cccc(n1)[C@H](N)C 1P01DTX8 [0,2,0,0,0,0|1,0,0]=3 5166 B10R1.113 Brc1cccc(n1)[C@H](N)C 1P024G24 [0,2,0,0,0,0|1,0,0]=3 5167 B10R1.113 Brc1cccc(n1)[C@H](O)C 1P009JQ2 [0,2,0,0,0,0|1,0,0]=3 5168 B10R1.113 Brc1cncc(c1)C(Br)C 1P01FIOB [0,2,0,0,0,0|1,0,0]=3 5169 B10R1.113 Brc1nccc(n1)C(C)C 1P02902E [0,2,0,0,0,0|2,0,0]=4 5170 B10R1.113 CC(=C)c1cc(Br)cnc1 1P00CJ77 [0,2,0,0,0,0|1,0,1]=4 5171 B10R1.113 CC(=C)c1cc(Cl)cnc1 1P00Q7ZC [0,2,0,0,0,0|1,0,1]=4 5172 B10R1.113 CC(=O)c1cc(Br)ccn1 1P008X5S [0,2,0,0,0,0|1,0,1]=4 5173 B10R1.113 CC(=O)c1cc(Br)cnc1 1P003JA1 [0,2,0,0,0,0|1,0,1]=4 5174 B10R1.113 CC(=O)c1cc(Cl)ccn1 1P00EAZB [0,2,0,0,0,0|1,0,1]=4 5175 B10R1.113 CC(=O)c1cc(Cl)cnc1 1P0096YV [0,2,0,0,0,0|1,0,1]=4 5176 B10R1.113 CC(=O)c1cc(F)cnc1 1P007HHH [0,2,0,0,0,0|1,0,1]=4 5177 B10R1.113 CC(=O)c1cc(N)ccn1 1P01FPBD [0,2,0,0,0,0|1,0,1]=4 5178 B10R1.113 CC(=O)c1cc(O)cnc1 1P00H2TX [0,2,0,0,0,0|1,0,1]=4 5179 B10R1.113 CC(=O)c1cncc(n1)Cl 1P000Q11 [0,2,0,0,0,0|0,0,1]=3 5180 B10R1.113 CC(c1cc(Br)ccn1)O 1P001F34 [0,2,0,0,0,0|1,0,0]=3 5181 B10R1.113 CC(c1cc(Br)cnc1)O 1P00BHS0 [0,2,0,0,0,0|1,0,0]=3 5182 B10R1.113 CC(c1cc(Cl)ccn1)O 1P01FTR6 [0,2,0,0,0,0|1,0,0]=3 5183 B10R1.113 CC(c1cc(Cl)cnc1)Br 1P0249DK [0,2,0,0,0,0|1,0,0]=3 5184 B10R1.113 CC(c1cc(F)cnc1)N 1P01A6ET [0,2,0,0,0,0|1,0,0]=3 5185 B10R1.113 CC(c1cc(F)cnc1)O 1P009JKY [0,2,0,0,0,0|1,0,0]=3 5186 B10R1.113 CC(c1cncc(c1)Br)C 1P00951Z [0,2,0,0,0,0|1,0,0]=3 5187 B10R1.113 CC(c1cncc(c1)F)N 1P01A5GB [0,2,0,0,0,0|1,0,0]=3 5188 B10R1.113 CC(c1cncc(c1)N)C 1P000OWY [0,2,0,0,0,0|1,0,0]=3 5189 B10R1.113 CC(c1cncc(c1)O)C 1P01BWSZ [0,2,0,0,0,0|1,0,0]=3 5190 B10R1.113 CC(c1nc(N)ccn1)Cl 1P01ANDQ [0,2,0,0,0,0|2,0,0]=4 5191 B10R1.113 CC(c1nccc(=O)[nH]1)N 1P0285N6 [0,2,0,0,0,0|2,0,0]=4 5192 B10R1.113 CC(c1nccc(c1)Br)C 1P01DMZ4 [0,2,0,0,0,0|1,0,0]=3 5193 B10R1.113 CC(c1nccc(c1)Br)N 1P02882Z [0,2,0,0,0,0|1,0,0]=3 5194 B10R1.113 CC(c1nccc(c1)Br)N 1P0293JV [0,2,0,0,0,0|1,0,0]=3 5195 B10R1.113 CC(c1nccc(c1)Cl)C 1P006T0C [0,2,0,0,0,0|1,0,0]=3 5196 B10R1.113 CC(c1nccc(c1)I)C 1P0283NU [0,2,0,0,0,0|1,0,0]=3 5197 B10R1.113 CC(c1nccc(c1)N)C 1P00D5AD [0,2,0,0,0,0|1,0,0]=3 5198 B10R1.113 CC(c1nccc(c1)N)C 1P028Z30 [0,2,0,0,0,0|1,0,0]=3 5199 B10R1.113 CC(c1nccc(c1)O)C 1P02919O [0,2,0,0,0,0|1,0,0]=3 5200 B10R1.113 CC(c1nccc(n1)Cl)C 1P005Z1U [0,2,0,0,0,0|2,0,0]=4 5201 B10R1.113 CC(c1nccc(n1)O)C 1P00FSOH [0,2,0,0,0,0|2,0,0]=4 5202 B10R1.113 CC(c1ncnc(c1)Br)C 1P018S8P [0,2,0,0,0,0|2,0,0]=4 5203 B10R1.113 CC(c1ncnc(c1)Cl)C 1P00IJIF [0,2,0,0,0,0|2,0,0]=4 5204 B10R1.113 CC(c1ncnc(c1)N)C 1P000HR4 [0,2,0,0,0,0|2,0,0]=4 5205 B10R1.113 CC(c1ncnc(c1)O)C 1P009E8F [0,2,0,0,0,0|2,0,0]=4 5206 B10R1.113 CN(c1cncc(c1)Br)C 1P00CJFM [0,2,0,0,0,0|2,0,0]=4 5207 B10R1.113 CN(c1cncc(c1)I)C 1P02916L [0,2,0,0,0,0|2,0,0]=4 5208 B10R1.113 CN(c1cncc(c1)N)C 1P00A7SL [0,2,0,0,0,0|2,0,0]=4 5209 B10R1.113 CN(c1cncc(c1)S)C 1P0290O6 [0,2,0,0,0,0|2,0,0]=4 5210 B10R1.113 CN(c1cncc(n1)Cl)C 1P00EEOT [0,2,0,0,0,0|1,0,0]=3 5211 B10R1.113 CN(c1cncc(n1)I)C 1P009BAS [0,2,0,0,0,0|1,0,0]=3 5212 B10R1.113 CN(c1nccc(c1)Br)C 1P00H68W [0,2,0,0,0,0|2,0,0]=4 5213 B10R1.113 CN(c1nccc(c1)Cl)C 1P00FH6E [0,2,0,0,0,0|2,0,0]=4 5214 B10R1.113 CN(c1nccc(c1)N)C 1P018SAU [0,2,0,0,0,0|2,0,0]=4 5215 B10R1.113 C[C@@H](c1cc(Br)cnc1)O 1P028FL5 [0,2,0,0,0,0|1,0,0]=3 5216 B10R1.113 C[C@@H](c1cc(F)ccn1)O 1P028NPD [0,2,0,0,0,0|1,0,0]=3 5217 B10R1.113 C[C@@H](c1cc(F)cnc1)N 1P00I40E [0,2,0,0,0,0|1,0,0]=3 5218 B10R1.113 C[C@@H](c1cc(F)cnc1)N 1P01C30I [0,2,0,0,0,0|1,0,0]=3 5219 B10R1.113 C[C@@H](c1cncc(c1)Cl)N 1P024FYP [0,2,0,0,0,0|1,0,0]=3 5220 B10R1.113 C[C@H](c1cc(Br)cnc1)N 1P01JV49 [0,2,0,0,0,0|1,0,0]=3 5221 B10R1.113 C[C@H](c1cc(Br)cnc1)O 1P028H8P [0,2,0,0,0,0|1,0,0]=3 5222 B10R1.113 C[C@H](c1cc(Cl)cnc1)N 1P01OHTY [0,2,0,0,0,0|1,0,0]=3 5223 B10R1.113 C[C@H](c1cc(F)ccn1)O 1P0288JJ [0,2,0,0,0,0|1,0,0]=3 5224 B10R1.113 C[C@H](c1cncc(c1)Br)N 1P01KLBA [0,2,0,0,0,0|1,0,0]=3 5225 B10R1.113 C[C@H](c1cncc(c1)F)N 1P01C2VE [0,2,0,0,0,0|1,0,0]=3 5226 B10R1.113 Cc1cccc(c1)C(Br)C 1P004E6B [0,2,0,0,0,0|2,0,0]=4 5227 B10R1.113 Cc1cccc(c1)C(C)C 1P003RXB [0,2,0,0,0,0|2,0,0]=4 5228 B10R1.113 Cc1cccc(c1)C(Cl)C 1P002CJO [0,2,0,0,0,0|2,0,0]=4 5229 B10R1.113 Cc1cccc(c1)C(N)C 1P00372B [0,2,0,0,0,0|2,0,0]=4 5230 B10R1.113 Cc1cccc(c1)C(N)C 1P00GATB [0,2,0,0,0,0|2,0,0]=4 5231 B10R1.113 Cc1cccc(c1)C(O)C 1P00FJ2F [0,2,0,0,0,0|2,0,0]=4 5232 B10R1.113 Cc1cccc(c1)[C@@H](N)C 1P0019NW [0,2,0,0,0,0|2,0,0]=4 5233 B10R1.113 Cc1cccc(c1)[C@@H](N)C 1P00J3RI [0,2,0,0,0,0|2,0,0]=4 5234 B10R1.113 Cc1cccc(c1)[C@@H](O)C 1P00DKFI [0,2,0,0,0,0|2,0,0]=4 5235 B10R1.113 Cc1cccc(c1)[C@H](N)C 1P000DMK [0,2,0,0,0,0|2,0,0]=4 5236 B10R1.113 Cc1cccc(c1)[C@H](N)C 1P0019NV [0,2,0,0,0,0|2,0,0]=4 5237 B10R1.113 Cc1cccc(c1)[C@H](O)C 1P00CLM5 [0,2,0,0,0,0|2,0,0]=4 5238 B10R1.113 Cc1cccc(n1)C(=O)C 1P003GRV [0,2,0,0,0,0|1,0,1]=4 5239 B10R1.113 Cc1cccc(n1)C(F)F 1P00HAD0 [0,2,0,0,0,0|2,0,0]=4 5240 B10R1.113 Cc1cccc(n1)C(N)C 1P0092TC [0,2,0,0,0,0|1,0,0]=3 5241 B10R1.113 Cc1cccc(n1)C(N)C 1P00IASS [0,2,0,0,0,0|1,0,0]=3 5242 B10R1.113 Cc1cccc(n1)[C@@H](N)C 1P01A3P2 [0,2,0,0,0,0|1,0,0]=3 5243 B10R1.113 Cc1cccc(n1)[C@H](N)C 1P01A27S [0,2,0,0,0,0|1,0,0]=3 5244 B10R1.113 Cc1cccc(n1)[C@H](O)C 1P00FGLE [0,2,0,0,0,0|1,0,0]=3 5245 B10R1.113 Cc1ccnc(c1)C(=O)C 1P003GRN [0,2,0,0,0,0|1,0,1]=4 5246 B10R1.113 Cc1ccnc(c1)C(C)C 1P0281YR [0,2,0,0,0,0|1,0,0]=3 5247 B10R1.113 Cc1ccnc(c1)C(N)C 1P0092TB [0,2,0,0,0,0|1,0,0]=3 5248 B10R1.113 Cc1ccnc(c1)C(N)C 1P00EA7G [0,2,0,0,0,0|1,0,0]=3 5249 B10R1.113 Cc1ccnc(n1)C(N)C 1P01C2Y9 [0,2,0,0,0,0|2,0,0]=4 5250 B10R1.113 Cc1cncc(c1)C(=O)C 1P00CAT8 [0,2,0,0,0,0|1,0,1]=4 5251 B10R1.113 Cc1cncc(c1)C(C)C 1P01XDSD [0,2,0,0,0,0|1,0,0]=3 5252 B10R1.113 Cc1cncc(c1)C(N)C 1P01ANWN [0,2,0,0,0,0|1,0,0]=3 5253 B10R1.113 Cc1cncc(n1)C(=O)N 1P00DGIS [0,2,0,0,0,0|1,0,1]=4 5254 B10R1.113 Cc1cncc(n1)C(=O)O 1P0036OU [0,2,0,0,0,0|1,0,1]=4 5255 B10R1.113 Cc1nccc(n1)C(N)C 1P01BD20 [0,2,0,0,0,0|2,0,0]=4 5256 B10R1.113 Clc1cccc(c1)C(Br)C 1P019X11 [0,2,0,0,0,0|2,0,0]=4 5257 B10R1.113 Clc1cccc(c1)C(Cl)C 1P01A1E4 [0,2,0,0,0,0|2,0,0]=4 5258 B10R1.113 Clc1cccc(c1)C(N)C 1P00C2DU [0,2,0,0,0,0|2,0,0]=4 5259 B10R1.113 Clc1cccc(c1)C(N)C 1P00CMAZ [0,2,0,0,0,0|2,0,0]=4 5260 B10R1.113 Clc1cccc(c1)C(O)C 1P003DDG [0,2,0,0,0,0|2,0,0]=4 5261 B10R1.113 Clc1cccc(c1)[C@@H](N)C 1P003CZE [0,2,0,0,0,0|2,0,0]=4 5262 B10R1.113 Clc1cccc(c1)[C@@H](N)C 1P009ZW7 [0,2,0,0,0,0|2,0,0]=4 5263 B10R1.113 Clc1cccc(c1)[C@@H](O)C 1P009BSV [0,2,0,0,0,0|2,0,0]=4 5264 B10R1.113 Clc1cccc(c1)[C@H](N)C 1P003CNL [0,2,0,0,0,0|2,0,0]=4 5265 B10R1.113 Clc1cccc(c1)[C@H](N)C 1P00955Y [0,2,0,0,0,0|2,0,0]=4 5266 B10R1.113 Clc1cccc(c1)[C@H](O)C 1P000QTO [0,2,0,0,0,0|2,0,0]=4 5267 B10R1.113 Clc1cccc(n1)C(=O)C 1P00APS1 [0,2,0,0,0,0|1,0,1]=4 5268 B10R1.113 Clc1cccc(n1)C(C)C 1P000QUY [0,2,0,0,0,0|1,0,0]=3 5269 B10R1.113 Clc1cccc(n1)C(F)F 1P0008IM [0,2,0,0,0,0|2,0,0]=4 5270 B10R1.113 Clc1cccc(n1)C(N)C 1P0096NX [0,2,0,0,0,0|1,0,0]=3 5271 B10R1.113 Clc1cccc(n1)C(N)C 1P024HPM [0,2,0,0,0,0|1,0,0]=3 5272 B10R1.113 Clc1cccc(n1)N(C)C 1P00942B [0,2,0,0,0,0|2,0,0]=4 5273 B10R1.113 Clc1cccc(n1)[C@H](N)C 1P024HI0 [0,2,0,0,0,0|1,0,0]=3 5274 B10R1.113 Clc1cncc(n1)C(=O)Cl 1P001LKS [0,2,0,0,0,0|1,0,1]=4 5275 B10R1.113 Clc1nccc(n1)C(C)C 1P005UOT [0,2,0,0,0,0|2,0,0]=4 5276 B10R1.113 Clc1nccc(n1)C(O)C 1P01KWFK [0,2,0,0,0,0|2,0,0]=4 5277 B10R1.113 FC(c1cncc(c1)Br)F 1P000EX5 [0,2,0,0,0,0|2,0,0]=4 5278 B10R1.113 FC(c1cncc(c1)N)F 1P01A3PF [0,2,0,0,0,0|2,0,0]=4 5279 B10R1.113 FC(c1cncc(c1)O)F 1P023P85 [0,2,0,0,0,0|2,0,0]=4 5280 B10R1.113 FC(c1nccc(c1)Br)F 1P009FPL [0,2,0,0,0,0|2,0,0]=4 5281 B10R1.113 FC(c1nccc(c1)Cl)F 1P000J15 [0,2,0,0,0,0|2,0,0]=4 5282 B10R1.113 FC(c1nccc(c1)I)F 1P00KB0J [0,2,0,0,0,0|2,0,0]=4 5283 B10R1.113 FC(c1nccc(c1)N)F 1P001KDX [0,2,0,0,0,0|2,0,0]=4 5284 B10R1.113 FC(c1nccc(c1)N)F 1P002I67 [0,2,0,0,0,0|2,0,0]=4 5285 B10R1.113 FC(c1nccc(c1)O)F 1P00DFAV [0,2,0,0,0,0|2,0,0]=4 5286 B10R1.113 Fc1cccc(c1)C(Br)C 1P018SP2 [0,2,0,0,0,0|2,0,0]=4 5287 B10R1.113 Fc1cccc(c1)C(Cl)C 1P01AAJR [0,2,0,0,0,0|2,0,0]=4 5288 B10R1.113 Fc1cccc(c1)C(N)C 1P005HQ7 [0,2,0,0,0,0|2,0,0]=4 5289 B10R1.113 Fc1cccc(c1)C(N)C 1P01EII3 [0,2,0,0,0,0|2,0,0]=4 5290 B10R1.113 Fc1cccc(c1)C(O)C 1P003DDQ [0,2,0,0,0,0|2,0,0]=4 5291 B10R1.113 Fc1cccc(c1)[C@@H](N)C 1P007HTX [0,2,0,0,0,0|2,0,0]=4 5292 B10R1.113 Fc1cccc(c1)[C@@H](N)C 1P00DA1C [0,2,0,0,0,0|2,0,0]=4 5293 B10R1.113 Fc1cccc(c1)[C@@H](O)C 1P000TCI [0,2,0,0,0,0|2,0,0]=4 5294 B10R1.113 Fc1cccc(c1)[C@H](N)C 1P007HTW [0,2,0,0,0,0|2,0,0]=4 5295 B10R1.113 Fc1cccc(c1)[C@H](N)C 1P008OXD [0,2,0,0,0,0|2,0,0]=4 5296 B10R1.113 Fc1cccc(c1)[C@H](O)C 1P000TDQ [0,2,0,0,0,0|2,0,0]=4 5297 B10R1.113 Fc1cccc(n1)C(=O)C 1P006WGK [0,2,0,0,0,0|1,0,1]=4 5298 B10R1.113 Fc1cccc(n1)C(F)F 1P00D685 [0,2,0,0,0,0|2,0,0]=4 5299 B10R1.113 Fc1cccc(n1)C(N)C 1P01JX3O [0,2,0,0,0,0|1,0,0]=3 5300 B10R1.113 Fc1cccc(n1)C(O)C 1P01BYDW [0,2,0,0,0,0|1,0,0]=3 5301 B10R1.113 Fc1cccc(n1)N(C)C 1P00IGT9 [0,2,0,0,0,0|2,0,0]=4 5302 B10R1.113 Fc1cccc(n1)[C@@H](N)C 1P01FPD5 [0,2,0,0,0,0|1,0,0]=3 5303 B10R1.113 Fc1cccc(n1)[C@H](N)C 1P01DDCR [0,2,0,0,0,0|1,0,0]=3 5304 B10R1.113 Ic1cccc(c1)C(Br)C 1P028E3J [0,2,0,0,0,0|2,0,0]=4 5305 B10R1.113 Ic1cccc(c1)C(C)C 1P002FFB [0,2,0,0,0,0|2,0,0]=4 5306 B10R1.113 Ic1cccc(c1)C(O)C 1P024HK1 [0,2,0,0,0,0|2,0,0]=4 5307 B10R1.113 NC(=O)c1cncc(n1)Br 1P01JZAV [0,2,0,0,0,0|1,0,1]=4 5308 B10R1.113 NC(=O)c1cncc(n1)Cl 1P00C7DU [0,2,0,0,0,0|1,0,1]=4 5309 B10R1.113 NC(=O)c1cncc(n1)O 1P028A72 [0,2,0,0,0,0|1,0,1]=4 5310 B10R1.113 Nc1cccc(c1)C(C)C 1P003JE5 [0,2,0,0,0,0|2,0,0]=4 5311 B10R1.113 Nc1cccc(c1)C(F)C 1P028JPG [0,2,0,0,0,0|2,0,0]=4 5312 B10R1.113 Nc1cccc(c1)C(N)C 1P000U2U [0,2,0,0,0,0|2,0,0]=4 5313 B10R1.113 Nc1cccc(c1)C(O)C 1P002OXT [0,2,0,0,0,0|2,0,0]=4 5314 B10R1.113 Nc1cccc(c1)[C@@H](N)C 1P003CZD [0,2,0,0,0,0|2,0,0]=4 5315 B10R1.113 Nc1cccc(c1)[C@@H](N)C 1P01DE99 [0,2,0,0,0,0|2,0,0]=4 5316 B10R1.113 Nc1cccc(c1)[C@@H](O)C 1P01DZPI [0,2,0,0,0,0|2,0,0]=4 5317 B10R1.113 Nc1cccc(c1)[C@H](N)C 1P0090GW [0,2,0,0,0,0|2,0,0]=4 5318 B10R1.113 Nc1cccc(c1)[C@H](N)C 1P01TBU1 [0,2,0,0,0,0|2,0,0]=4 5319 B10R1.113 Nc1cccc(c1)[C@H](O)C 1P01EMV6 [0,2,0,0,0,0|2,0,0]=4 5320 B10R1.113 Nc1cccc(n1)C(=O)C 1P0096CI [0,2,0,0,0,0|1,0,1]=4 5321 B10R1.113 Nc1cccc(n1)C(C)C 1P003GZ8 [0,2,0,0,0,0|1,0,0]=3 5322 B10R1.113 Nc1cccc(n1)C(F)F 1P000ZWF [0,2,0,0,0,0|2,0,0]=4 5323 B10R1.113 Nc1cccc(n1)C(F)F 1P028KIH [0,2,0,0,0,0|2,0,0]=4 5324 B10R1.113 Nc1cccc(n1)C(O)C 1P027VPM [0,2,0,0,0,0|1,0,0]=3 5325 B10R1.113 Nc1cccc(n1)N(C)C 1P00EKPO [0,2,0,0,0,0|2,0,0]=4 5326 B10R1.113 Nc1cccc(n1)[C@H](N)C 1P01XDCG [0,2,0,0,0,0|1,0,0]=3 5327 B10R1.113 Nc1ccnc(n1)C(N)C 1P01AUYO [0,2,0,0,0,0|2,0,0]=4 5328 B10R1.113 Nc1cncc(n1)C(=O)O 1P003NJM [0,2,0,0,0,0|1,0,1]=4 5329 B10R1.113 Nc1nccc(n1)C(C)C 1P00EEG0 [0,2,0,0,0,0|2,0,0]=4 5330 B10R1.113 OB(c1cncc(n1)C)O 1P01E1AV [0,2,0,0,0,0|2,0,0]=4 5331 B10R1.113 OC(=O)c1cncc(n1)Br 1P000PR6 [0,2,0,0,0,0|1,0,1]=4 5332 B10R1.113 OC(=O)c1cncc(n1)Cl 1P002OLN [0,2,0,0,0,0|1,0,1]=4 5333 B10R1.113 Oc1cccc(c1)C(C)C 1P003478 [0,2,0,0,0,0|2,0,0]=4 5334 B10R1.113 Oc1cccc(c1)C(N)C 1P00ECSX [0,2,0,0,0,0|2,0,0]=4 5335 B10R1.113 Oc1cccc(c1)C(N)C 1P019V4B [0,2,0,0,0,0|2,0,0]=4 5336 B10R1.113 Oc1cccc(c1)C(O)C 1P003DDU [0,2,0,0,0,0|2,0,0]=4 5337 B10R1.113 Oc1cccc(c1)[C@@H](N)C 1P000LS2 [0,2,0,0,0,0|2,0,0]=4 5338 B10R1.113 Oc1cccc(c1)[C@@H](N)C 1P024G1P [0,2,0,0,0,0|2,0,0]=4 5339 B10R1.113 Oc1cccc(c1)[C@H](N)C 1P00DG5L [0,2,0,0,0,0|2,0,0]=4 5340 B10R1.113 Oc1cccc(c1)[C@H](N)C 1P00G7LK [0,2,0,0,0,0|2,0,0]=4 5341 B10R1.113 Oc1cccc(c1)[C@H](O)C 1P00EL2Y [0,2,0,0,0,0|2,0,0]=4 5342 B10R1.113 Oc1nccc(n1)C(C)C 1P00J2RM [0,2,0,0,0,0|2,0,0]=4 5343 B10R1.113 [O-]C(=O)c1cncc(n1)O 1P01BDFO [0,2,0,0,0,0|1,0,1]=4 5344 B10R1.172 BrCc1cccc(n1)C#N 1P007HZV [0,2,0,0,0,0|2,0,0]=4 5345 B10R1.172 BrCc1cccc(n1)CBr 1P0033HH [0,2,0,0,0,0|2,0,0]=4 5346 B10R1.172 BrCc1cccc(n1)OC 1P001OYU [0,2,0,0,0,0|2,0,0]=4 5347 B10R1.172 BrCc1cncc(c1)C#N 1P008ZKM [0,2,0,0,0,0|2,0,0]=4 5348 B10R1.172 BrCc1cncc(c1)CBr 1P01AMSL [0,2,0,0,0,0|2,0,0]=4 5349 B10R1.172 BrCc1cncc(c1)OC 1P028L61 [0,2,0,0,0,0|2,0,0]=4 5350 B10R1.172 BrCc1nccc(c1)C#N 1P00FA8G [0,2,0,0,0,0|2,0,0]=4 5351 B10R1.172 CCc1cccc(c1)C#C 1P002XPY [0,2,0,0,0,0|2,0,0]=4 5352 B10R1.172 CCc1cccc(c1)C#N 1P007HSB [0,2,0,0,0,0|2,0,0]=4 5353 B10R1.172 CCc1cccc(c1)C=C 1P005N8X [0,2,0,0,0,0|2,0,0]=4 5354 B10R1.172 CCc1cccc(c1)C=O 1P00399O [0,2,0,0,0,0|2,0,0]=4 5355 B10R1.172 CCc1cccc(c1)CBr 1P01B28K [0,2,0,0,0,0|2,0,0]=4 5356 B10R1.172 CCc1cccc(c1)CN 1P01C5SC [0,2,0,0,0,0|2,0,0]=4 5357 B10R1.172 CCc1cccc(c1)CO 1P00GPWE [0,2,0,0,0,0|2,0,0]=4 5358 B10R1.172 CCc1cccc(c1)NC 1P01C2IG [0,2,0,0,0,0|2,0,0]=4 5359 B10R1.172 CCc1cccc(c1)NN 1P00EAF0 [0,2,0,0,0,0|2,0,0]=4 5360 B10R1.172 CCc1cccc(c1)OC 1P009OIF [0,2,0,0,0,0|2,0,0]=4 5361 B10R1.172 CCc1cccc(c1)[N+]#[C-] 1P028XJF [0,2,0,0,0,0|2,0,0]=4 5362 B10R1.172 CCc1cccc(n1)C=O 1P00B919 [0,2,0,0,0,0|1,0,0]=3 5363 B10R1.172 CCc1cccc(n1)CC 1P00GUYL [0,2,0,0,0,0|1,0,0]=3 5364 B10R1.172 CCc1cccc(n1)CO 1P001UR0 [0,2,0,0,0,0|1,0,0]=3 5365 B10R1.172 CCc1cccc(n1)NC 1P01ENG4 [0,2,0,0,0,0|1,0,0]=3 5366 B10R1.172 CCc1ccnc(c1)CN 1P007PLL [0,2,0,0,0,0|2,0,0]=4 5367 B10R1.172 CCc1ccnc(n1)CC 1P003G8P [0,2,0,0,0,0|2,0,0]=4 5368 B10R1.172 CCc1cncc(c1)C=O 1P01C823 [0,2,0,0,0,0|1,0,0]=3 5369 B10R1.172 CCc1cncc(c1)CN 1P0285D6 [0,2,0,0,0,0|1,0,0]=3 5370 B10R1.172 CCc1cncc(n1)CC 1P000V90 [0,2,0,0,0,0|0,0,0]=2 5371 B10R1.172 CCc1nccc(c1)C#N 1P00AKXX [0,2,0,0,0,0|1,0,0]=3 5372 B10R1.172 CCc1nccc(c1)C=O 1P0291M9 [0,2,0,0,0,0|1,0,0]=3 5373 B10R1.172 CCc1nccc(c1)CBr 1P028FGY [0,2,0,0,0,0|1,0,0]=3 5374 B10R1.172 CCc1nccc(n1)C=O 1P007TVA [0,2,0,0,0,0|2,0,0]=4 5375 B10R1.172 CNc1cccc(n1)C#N 1P01DXC5 [0,2,0,0,0,0|2,0,0]=4 5376 B10R1.172 CNc1cccc(n1)NC 1P01BCAR [0,2,0,0,0,0|2,0,0]=4 5377 B10R1.172 CNc1cccc(n1)OC 1P003I07 [0,2,0,0,0,0|2,0,0]=4 5378 B10R1.172 CNc1ccnc(c1)CN 1P0292FM [0,2,0,0,0,0|2,0,0]=4 5379 B10R1.172 CNc1ccnc(c1)OC 1P01DN55 [0,2,0,0,0,0|2,0,0]=4 5380 B10R1.172 CNc1cncc(c1)C#N 1P01RRZ5 [0,2,0,0,0,0|2,0,0]=4 5381 B10R1.172 CNc1cncc(c1)OC 1P00935W [0,2,0,0,0,0|2,0,0]=4 5382 B10R1.172 CNc1cncc(n1)OC 1P01JZX6 [0,2,0,0,0,0|1,0,0]=3 5383 B10R1.172 CNc1nccc(c1)C#N 1P0013FX [0,2,0,0,0,0|2,0,0]=4 5384 B10R1.172 CNc1nccc(c1)CN 1P00ENMY [0,2,0,0,0,0|2,0,0]=4 5385 B10R1.172 CNc1nccc(c1)CO 1P00BBQ6 [0,2,0,0,0,0|2,0,0]=4 5386 B10R1.172 CNc1nccc(c1)CO 1P01AGPD [0,2,0,0,0,0|2,0,0]=4 5387 B10R1.172 CNc1nccc(c1)OC 1P0097F1 [0,2,0,0,0,0|2,0,0]=4 5388 B10R1.172 COc1cccc(n1)C#C 1P00DHUM [0,2,0,0,0,0|2,0,0]=4 5389 B10R1.172 COc1cccc(n1)C#N 1P003NQO [0,2,0,0,0,0|2,0,0]=4 5390 B10R1.172 COc1cccc(n1)C=O 1P003NQN [0,2,0,0,0,0|2,0,0]=4 5391 B10R1.172 COc1cccc(n1)OC 1P003GLX [0,2,0,0,0,0|2,0,0]=4 5392 B10R1.172 COc1ccnc(c1)CBr 1P028FYA [0,2,0,0,0,0|2,0,0]=4 5393 B10R1.172 COc1ccnc(c1)CCl 1P00ELEQ [0,2,0,0,0,0|2,0,0]=4 5394 B10R1.172 COc1ccnc(c1)CN 1P007517 [0,2,0,0,0,0|2,0,0]=4 5395 B10R1.172 COc1ccnc(c1)CN 1P009DUI [0,2,0,0,0,0|2,0,0]=4 5396 B10R1.172 COc1ccnc(c1)CO 1P001XBR [0,2,0,0,0,0|2,0,0]=4 5397 B10R1.172 COc1ccnc(c1)OC 1P0075MV [0,2,0,0,0,0|2,0,0]=4 5398 B10R1.172 COc1cncc(c1)C#C 1P0062OX [0,2,0,0,0,0|2,0,0]=4 5399 B10R1.172 COc1cncc(c1)C#N 1P00BFTE [0,2,0,0,0,0|2,0,0]=4 5400 B10R1.172 COc1cncc(c1)C=C 1P01AMQZ [0,2,0,0,0,0|2,0,0]=4 5401 B10R1.172 COc1cncc(c1)C=O 1P003NAT [0,2,0,0,0,0|2,0,0]=4 5402 B10R1.172 COc1cncc(c1)OC 1P003J4U [0,2,0,0,0,0|2,0,0]=4 5403 B10R1.172 COc1cncc(n1)C#C 1P024VPC [0,2,0,0,0,0|1,0,0]=3 5404 B10R1.172 COc1cncc(n1)C#N 1P0071H1 [0,2,0,0,0,0|1,0,0]=3 5405 B10R1.172 COc1cncc(n1)OC 1P00706S [0,2,0,0,0,0|1,0,0]=3 5406 B10R1.172 COc1nccc(c1)C#C 1P01T2IT [0,2,0,0,0,0|2,0,0]=4 5407 B10R1.172 COc1nccc(c1)C#N 1P005Q9Z [0,2,0,0,0,0|2,0,0]=4 5408 B10R1.172 COc1nccc(c1)C=O 1P005FZ0 [0,2,0,0,0,0|2,0,0]=4 5409 B10R1.172 COc1nccc(c1)CBr 1P0081MW [0,2,0,0,0,0|2,0,0]=4 5410 B10R1.172 COc1nccc(c1)CBr 1P01XD38 [0,2,0,0,0,0|2,0,0]=4 5411 B10R1.172 COc1nccc(c1)CCl 1P007RI9 [0,2,0,0,0,0|2,0,0]=4 5412 B10R1.172 COc1nccc(c1)CCl 1P00C7BJ [0,2,0,0,0,0|2,0,0]=4 5413 B10R1.172 COc1nccc(c1)CN 1P001LQN [0,2,0,0,0,0|2,0,0]=4 5414 B10R1.172 COc1nccc(c1)CN 1P008V8P [0,2,0,0,0,0|2,0,0]=4 5415 B10R1.172 COc1nccc(c1)CO 1P000KIY [0,2,0,0,0,0|2,0,0]=4 5416 B10R1.172 COc1nccc(c1)NN 1P021K9A [0,2,0,0,0,0|2,0,0]=4 5417 B10R1.172 CSc1cccc(n1)C#N 1P00E84U [0,2,0,0,0,0|2,0,0]=4 5418 B10R1.172 CSc1nccc(c1)C#N 1P00ADKV [0,2,0,0,0,0|2,0,0]=4 5419 B10R1.172 CSc1nccc(c1)CN 1P01A4TQ [0,2,0,0,0,0|2,0,0]=4 5420 B10R1.172 ClCc1cccc(n1)C#N 1P0038R6 [0,2,0,0,0,0|2,0,0]=4 5421 B10R1.172 ClCc1cccc(n1)CCl 1P0032BM [0,2,0,0,0,0|2,0,0]=4 5422 B10R1.172 ClCc1cccc(n1)CCl 1P0037JF [0,2,0,0,0,0|2,0,0]=4 5423 B10R1.172 ClCc1cccc(n1)OC 1P004O2C [0,2,0,0,0,0|2,0,0]=4 5424 B10R1.172 ClCc1cccc(n1)OC 1P00CM0R [0,2,0,0,0,0|2,0,0]=4 5425 B10R1.172 ClCc1cncc(c1)C#N 1P002ELX [0,2,0,0,0,0|2,0,0]=4 5426 B10R1.172 ClCc1cncc(c1)C#N 1P00DQUV [0,2,0,0,0,0|2,0,0]=4 5427 B10R1.172 ClCc1cncc(c1)CCl 1P009737 [0,2,0,0,0,0|2,0,0]=4 5428 B10R1.172 ClCc1cncc(c1)OC 1P01BC6T [0,2,0,0,0,0|2,0,0]=4 5429 B10R1.172 ClCc1cncc(n1)OC 1P01BVCW [0,2,0,0,0,0|1,0,0]=3 5430 B10R1.172 ClCc1nccc(c1)C#N 1P00DQIT [0,2,0,0,0,0|2,0,0]=4 5431 B10R1.172 FCc1cccc(n1)C=O 1P002JZ4 [0,2,0,0,0,0|2,0,0]=4 5432 B10R1.172 NCc1cccc(n1)C#N 1P01XCUQ [0,2,0,0,0,0|2,0,0]=4 5433 B10R1.172 NCc1cccc(n1)CN 1P00CN9P [0,2,0,0,0,0|2,0,0]=4 5434 B10R1.172 NCc1cccc(n1)CO 1P01B8LT [0,2,0,0,0,0|2,0,0]=4 5435 B10R1.172 NCc1cccc(n1)CO 1P01B8MZ [0,2,0,0,0,0|2,0,0]=4 5436 B10R1.172 NCc1cccc(n1)OC 1P00APL6 [0,2,0,0,0,0|2,0,0]=4 5437 B10R1.172 NCc1cccc(n1)OC 1P00H7RJ [0,2,0,0,0,0|2,0,0]=4 5438 B10R1.172 NCc1cccc(n1)OC 1P01DUNJ [0,2,0,0,0,0|2,0,0]=4 5439 B10R1.172 NCc1ccnc(c1)CO 1P01C61X [0,2,0,0,0,0|2,0,0]=4 5440 B10R1.172 NCc1ccnc(c1)CO 1P01C61Y [0,2,0,0,0,0|2,0,0]=4 5441 B10R1.172 NCc1ccnc(c1)CO 1P01KKPN [0,2,0,0,0,0|2,0,0]=4 5442 B10R1.172 NCc1cncc(c1)C#N 1P01XD2O [0,2,0,0,0,0|2,0,0]=4 5443 B10R1.172 NCc1cncc(c1)OC 1P008UBN [0,2,0,0,0,0|2,0,0]=4 5444 B10R1.172 NCc1cncc(c1)OC 1P01C5OX [0,2,0,0,0,0|2,0,0]=4 5445 B10R1.172 NCc1cncc(c1)OC 1P027XGG [0,2,0,0,0,0|2,0,0]=4 5446 B10R1.172 NCc1cncc(c1)SC 1P0293E9 [0,2,0,0,0,0|2,0,0]=4 5447 B10R1.172 NCc1cncc(n1)OC 1P01EIHZ [0,2,0,0,0,0|1,0,0]=3 5448 B10R1.172 NCc1cncc(n1)OC 1P0240IS [0,2,0,0,0,0|1,0,0]=3 5449 B10R1.172 NCc1nccc(c1)C#N 1P0201M9 [0,2,0,0,0,0|2,0,0]=4 5450 B10R1.172 NNc1cccc(n1)OC 1P00IBWR [0,2,0,0,0,0|2,0,0]=4 5451 B10R1.172 OCc1cccc(n1)C#C 1P00G9DX [0,2,0,0,0,0|2,0,0]=4 5452 B10R1.172 OCc1cccc(n1)C#N 1P00DAPF [0,2,0,0,0,0|2,0,0]=4 5453 B10R1.172 OCc1cccc(n1)C=O 1P00C8T9 [0,2,0,0,0,0|2,0,0]=4 5454 B10R1.172 OCc1cccc(n1)CBr 1P003CF8 [0,2,0,0,0,0|2,0,0]=4 5455 B10R1.172 OCc1cccc(n1)CO 1P000JD3 [0,2,0,0,0,0|2,0,0]=4 5456 B10R1.172 OCc1cccc(n1)OC 1P00EAGU [0,2,0,0,0,0|2,0,0]=4 5457 B10R1.172 OCc1cncc(c1)C#N 1P007LZV [0,2,0,0,0,0|2,0,0]=4 5458 B10R1.172 OCc1cncc(c1)CO 1P00C2D7 [0,2,0,0,0,0|2,0,0]=4 5459 B10R1.172 OCc1cncc(c1)OC 1P00GXMJ [0,2,0,0,0,0|2,0,0]=4 5460 B10R1.172 OCc1nccc(c1)C#C 1P028A3T [0,2,0,0,0,0|2,0,0]=4 5461 B10R1.172 OCc1nccc(c1)C#N 1P00DGSW [0,2,0,0,0,0|2,0,0]=4 5462 B10R1.172 OCc1nccc(c1)C=O 1P01KMEY [0,2,0,0,0,0|2,0,0]=4 5463 B10R1.15 *CC(c1ccccc1)* 1P0035YN [0,2,0,0,0,0|2,0,0]=4 5464 B10R1.15 BrCC(=O)c1ccccn1 1P0021LH [0,2,0,0,0,0|1,0,1]=4 5465 B10R1.15 BrCC(=O)c1cccnc1 1P0025H6 [0,2,0,0,0,0|1,0,1]=4 5466 B10R1.15 BrCC(=O)c1cccnc1 1P00EJUC [0,2,0,0,0,0|1,0,1]=4 5467 B10R1.15 BrCC(=O)c1cnccn1 1P000T5W [0,2,0,0,0,0|0,0,1]=3 5468 B10R1.15 BrCC(=O)c1cnccn1 1P001152 [0,2,0,0,0,0|0,0,1]=3 5469 B10R1.15 BrCC(c1ccccc1)Br 1P0062LT [0,2,0,0,0,0|2,0,0]=4 5470 B10R1.15 BrCC(c1ccccc1)C 1P003EK8 [0,2,0,0,0,0|2,0,0]=4 5471 B10R1.15 BrCC(c1ccccc1)F 1P0026N2 [0,2,0,0,0,0|2,0,0]=4 5472 B10R1.15 BrCC(c1ccccc1)O 1P00C2FF [0,2,0,0,0,0|2,0,0]=4 5473 B10R1.15 BrC[C@@H](c1ccccc1)C 1P0282ZV [0,2,0,0,0,0|2,0,0]=4 5474 B10R1.15 BrC[C@H](c1ccccc1)C 1P001FF6 [0,2,0,0,0,0|2,0,0]=4 5475 B10R1.15 C#CC(c1ccccn1)O 1P00CHLT [0,2,0,0,0,0|1,0,1]=4 5476 B10R1.15 CC(=NN)c1cnccn1 1P019TJ6 [0,2,0,0,0,0|0,0,1]=3 5477 B10R1.15 CC(=NO)c1cnccn1 1P023TQ9 [0,2,0,0,0,0|0,0,1]=3 5478 B10R1.15 CC(c1ccccc1)C#C 1P00DBLO [0,2,0,0,0,0|2,0,0]=4 5479 B10R1.15 CC(c1ccccc1)C#N 1P00242Z [0,2,0,0,0,0|2,0,0]=4 5480 B10R1.15 CC(c1ccccc1)[N+]#[C-] 1P001Z7Z [0,2,0,0,0,0|2,0,0]=4 5481 B10R1.15 CC(c1cnccn1)C#N 1P01BWBB [0,2,0,0,0,0|0,0,0]=2 5482 B10R1.15 CC(c1cnccn1)CN 1P018SI7 [0,2,0,0,0,0|0,0,0]=2 5483 B10R1.15 CC(c1cnccn1)CO 1P0287C3 [0,2,0,0,0,0|0,0,0]=2 5484 B10R1.15 CCC(=C)c1ccccc1 1P0029NW [0,2,0,0,0,0|2,0,0]=4 5485 B10R1.15 CCC(=O)c1ccccc1 1P003UGA [0,2,0,0,0,0|2,0,0]=4 5486 B10R1.15 CCC(=O)c1ccccn1 1P0033WA [0,2,0,0,0,0|1,0,0]=3 5487 B10R1.15 CCC(=O)c1cccnc1 1P003KCR [0,2,0,0,0,0|1,0,0]=3 5488 B10R1.15 CCC(=O)c1ccnnc1 1P02219B [0,2,0,0,0,0|2,0,0]=4 5489 B10R1.15 CCC(=O)c1cnccn1 1P00DLK1 [0,2,0,0,0,0|0,0,0]=2 5490 B10R1.15 CCC(=O)c1cncnc1 1P01DX6H [0,2,0,0,0,0|2,0,0]=4 5491 B10R1.15 CCC(=O)c1ncccn1 1P00E4VN [0,2,0,0,0,0|2,0,0]=4 5492 B10R1.15 CCC(c1ccccc1)Br 1P002LSL [0,2,0,0,0,0|2,0,0]=4 5493 B10R1.15 CCC(c1ccccc1)C 1P003UP1 [0,2,0,0,0,0|2,0,0]=4 5494 B10R1.15 CCC(c1ccccc1)Cl 1P006GET [0,2,0,0,0,0|2,0,0]=4 5495 B10R1.15 CCC(c1ccccc1)N 1P003F3H [0,2,0,0,0,0|2,0,0]=4 5496 B10R1.15 CCC(c1ccccc1)S 1P01A000 [0,2,0,0,0,0|2,0,0]=4 5497 B10R1.15 CCC(c1ccccn1)N 1P0001KW [0,2,0,0,0,0|1,0,0]=3 5498 B10R1.15 CCC(c1ccccn1)N 1P00J25M [0,2,0,0,0,0|1,0,0]=3 5499 B10R1.15 CCC(c1cccnc1)N 1P000K5S [0,2,0,0,0,0|1,0,0]=3 5500 B10R1.15 CCC(c1cccnc1)N 1P003DEE [0,2,0,0,0,0|1,0,0]=3 5501 B10R1.15 CCC(c1ncccn1)N 1P01CAMO [0,2,0,0,0,0|2,0,0]=4 5502 B10R1.15 CC[C@@H](c1ccccc1)N 1P003BFK [0,2,0,0,0,0|2,0,0]=4 5503 B10R1.15 CC[C@@H](c1ccccc1)O 1P003CTX [0,2,0,0,0,0|2,0,0]=4 5504 B10R1.15 CC[C@H](c1ccccc1)N 1P0032O5 [0,2,0,0,0,0|2,0,0]=4 5505 B10R1.15 CC[C@H](c1ccccc1)O 1P003CLI [0,2,0,0,0,0|2,0,0]=4 5506 B10R1.15 CC[C@H](c1ccccn1)N 1P00BHR3 [0,2,0,0,0,0|1,0,0]=3 5507 B10R1.15 CC[C@H](c1ccccn1)N 1P00HRY0 [0,2,0,0,0,0|1,0,0]=3 5508 B10R1.15 CN=C(c1cccnc1)N 1P01B70I [0,2,0,0,0,0|1,0,1]=4 5509 B10R1.15 CNC(=N)c1ccccn1 1P028I43 [0,2,0,0,0,0|1,0,1]=4 5510 B10R1.15 CNC(=N)c1cccnc1 1P01B6ZK [0,2,0,0,0,0|1,0,1]=4 5511 B10R1.15 CNC(=O)c1ccccn1 1P00EFMA [0,2,0,0,0,0|1,0,1]=4 5512 B10R1.15 CNC(=O)c1cccnc1 1P000AQ4 [0,2,0,0,0,0|1,0,1]=4 5513 B10R1.15 CNC(c1ccccc1)C 1P0038T3 [0,2,0,0,0,0|2,0,0]=4 5514 B10R1.15 CNC(c1ccccc1)C 1P00C63A [0,2,0,0,0,0|2,0,0]=4 5515 B10R1.15 CNC(c1ccccn1)C 1P008W2I [0,2,0,0,0,0|1,0,0]=3 5516 B10R1.15 CNC(c1ccccn1)C 1P00J3U5 [0,2,0,0,0,0|1,0,0]=3 5517 B10R1.15 CNC(c1ccccn1)C 1P019VP7 [0,2,0,0,0,0|1,0,0]=3 5518 B10R1.15 CNC(c1cccnc1)C 1P008VWL [0,2,0,0,0,0|1,0,0]=3 5519 B10R1.15 CNC(c1cccnc1)C 1P00J3UA [0,2,0,0,0,0|1,0,0]=3 5520 B10R1.15 CNC(c1cccnc1)C 1P019VP6 [0,2,0,0,0,0|1,0,0]=3 5521 B10R1.15 CNC(c1ccncn1)C 1P00J3U3 [0,2,0,0,0,0|2,0,0]=4 5522 B10R1.15 CNC(c1ccnnc1)C 1P027UXS [0,2,0,0,0,0|2,0,0]=4 5523 B10R1.15 CNC(c1ncccn1)C 1P028D2F [0,2,0,0,0,0|2,0,0]=4 5524 B10R1.15 CN[C@@H](c1ccccc1)C 1P003CMR [0,2,0,0,0,0|2,0,0]=4 5525 B10R1.15 CN[C@@H](c1ccccc1)C 1P01FT1Y [0,2,0,0,0,0|2,0,0]=4 5526 B10R1.15 CN[C@@H](c1cccnc1)C 1P01FKUY [0,2,0,0,0,0|1,0,0]=3 5527 B10R1.15 CN[C@H](c1ccccc1)C 1P003CV3 [0,2,0,0,0,0|2,0,0]=4 5528 B10R1.15 CN[C@H](c1ccccc1)C 1P028J6M [0,2,0,0,0,0|2,0,0]=4 5529 B10R1.15 CN[C@H](c1cccnc1)C 1P01FKUX [0,2,0,0,0,0|1,0,0]=3 5530 B10R1.15 COC(=O)c1ccccn1 1P002P5B [0,2,0,0,0,0|1,0,1]=4 5531 B10R1.15 COC(=O)c1cccnc1 1P003SI1 [0,2,0,0,0,0|1,0,1]=4 5532 B10R1.15 COC(=O)c1cnccn1 1P003SJ3 [0,2,0,0,0,0|0,0,1]=3 5533 B10R1.15 COC(=O)c1cnccn1 1P0287C0 [0,2,0,0,0,0|0,0,1]=3 5534 B10R1.15 ClCC(=O)c1ccccn1 1P00DTRX [0,2,0,0,0,0|1,0,1]=4 5535 B10R1.15 ClCC(=O)c1cccnc1 1P00E9NE [0,2,0,0,0,0|1,0,1]=4 5536 B10R1.15 ClCC(c1ccccc1)Cl 1P008Z16 [0,2,0,0,0,0|2,0,0]=4 5537 B10R1.15 ClC[C@@H](c1ccccc1)O 1P003CPP [0,2,0,0,0,0|2,0,0]=4 5538 B10R1.15 ClC[C@H](c1ccccc1)O 1P003CX6 [0,2,0,0,0,0|2,0,0]=4 5539 B10R1.15 FCC(=O)c1ccccn1 1P00GPM5 [0,2,0,0,0,0|1,0,1]=4 5540 B10R1.15 FCC(c1ccccc1)Cl 1P028D0I [0,2,0,0,0,0|2,0,0]=4 5541 B10R1.15 FCC(c1ccccc1)N 1P01BHNS [0,2,0,0,0,0|2,0,0]=4 5542 B10R1.15 FCC(c1ccccc1)O 1P00DZT3 [0,2,0,0,0,0|2,0,0]=4 5543 B10R1.15 FC[C@@H](c1ccccc1)N 1P01DFLZ [0,2,0,0,0,0|2,0,0]=4 5544 B10R1.15 FC[C@@H](c1ccccc1)O 1P0290ZI [0,2,0,0,0,0|2,0,0]=4 5545 B10R1.15 FC[C@H](c1ccccc1)N 1P019F2G [0,2,0,0,0,0|2,0,0]=4 5546 B10R1.15 FC[C@H](c1ccccc1)O 1P023OF9 [0,2,0,0,0,0|2,0,0]=4 5547 B10R1.15 N#CC(c1cccnc1)N 1P00A8FG [0,2,0,0,0,0|1,0,1]=4 5548 B10R1.15 N#CC(c1cccnc1)N 1P0288HE [0,2,0,0,0,0|1,0,1]=4 5549 B10R1.15 NC(=NO)c1cnccn1 1P019ZC4 [0,2,0,0,0,0|1,0,1]=4 5550 B10R1.15 NCC(=O)c1ccccn1 1P00DIEH [0,2,0,0,0,0|1,0,1]=4 5551 B10R1.15 NCC(=O)c1cccnc1 1P00DFSO [0,2,0,0,0,0|1,0,1]=4 5552 B10R1.15 NCC(=O)c1nccnc1 1P01EI7X [0,2,0,0,0,0|0,0,1]=3 5553 B10R1.15 NCC(c1ccccc1)F 1P01ADJT [0,2,0,0,0,0|2,0,0]=4 5554 B10R1.15 NCC(c1ccccc1)F 1P01AFLW [0,2,0,0,0,0|2,0,0]=4 5555 B10R1.15 NCC(c1ccccc1)N 1P001X54 [0,2,0,0,0,0|2,0,0]=4 5556 B10R1.15 NCC(c1ccccc1)N 1P00EC97 [0,2,0,0,0,0|2,0,0]=4 5557 B10R1.15 NCC(c1ccccc1)O 1P003GT0 [0,2,0,0,0,0|2,0,0]=4 5558 B10R1.15 NCC(c1ccccn1)O 1P00GSPR [0,2,0,0,0,0|1,0,0]=3 5559 B10R1.15 NCC(c1ccccn1)O 1P00H3HR [0,2,0,0,0,0|1,0,0]=3 5560 B10R1.15 NCC(c1ccccn1)O 1P019LWP [0,2,0,0,0,0|1,0,0]=3 5561 B10R1.15 NCC(c1cccnc1)O 1P006JYO [0,2,0,0,0,0|1,0,0]=3 5562 B10R1.15 NCC(c1cccnc1)O 1P009SDI [0,2,0,0,0,0|1,0,0]=3 5563 B10R1.15 NCC(c1cccnc1)O 1P00J1VN [0,2,0,0,0,0|1,0,0]=3 5564 B10R1.15 NC[C@@H](c1ccccc1)C 1P003CRB [0,2,0,0,0,0|2,0,0]=4 5565 B10R1.15 NC[C@@H](c1ccccc1)C 1P007LOY [0,2,0,0,0,0|2,0,0]=4 5566 B10R1.15 NC[C@@H](c1ccccc1)O 1P003BFB [0,2,0,0,0,0|2,0,0]=4 5567 B10R1.15 NC[C@@H](c1ccccc1)O 1P00AQ4Y [0,2,0,0,0,0|2,0,0]=4 5568 B10R1.15 NC[C@@H](c1cccnc1)O 1P007FVE [0,2,0,0,0,0|1,0,0]=3 5569 B10R1.15 NC[C@H](c1ccccc1)C 1P0021SD [0,2,0,0,0,0|2,0,0]=4 5570 B10R1.15 NC[C@H](c1ccccc1)F 1P01ALUF [0,2,0,0,0,0|2,0,0]=4 5571 B10R1.15 NC[C@H](c1ccccc1)O 1P003CUG [0,2,0,0,0,0|2,0,0]=4 5572 B10R1.15 NC[C@H](c1cccnc1)O 1P001H7V [0,2,0,0,0,0|1,0,0]=3 5573 B10R1.15 NNC(=O)c1cnccn1 1P00360C [0,2,0,0,0,0|1,0,1]=4 5574 B10R1.15 NNC(c1ccccc1)C 1P00O2F0 [0,2,0,0,0,0|2,0,0]=4 5575 B10R1.15 NOC(c1ccccc1)C 1P01BCFB [0,2,0,0,0,0|2,0,0]=4 5576 B10R1.15 NOC(c1ccccc1)C 1P01BCKY [0,2,0,0,0,0|2,0,0]=4 5577 B10R1.15 NO[C@@H](c1ccccc1)C 1P01FJN9 [0,2,0,0,0,0|2,0,0]=4 5578 B10R1.15 NO[C@@H](c1ccccn1)C 1P01FJMV [0,2,0,0,0,0|1,0,0]=3 5579 B10R1.15 NO[C@H](c1ccccc1)C 1P01B4DC [0,2,0,0,0,0|2,0,0]=4 5580 B10R1.15 NO[C@H](c1ccccn1)C 1P028T37 [0,2,0,0,0,0|1,0,0]=3 5581 B10R1.15 N\C(=N/O)\c1cnccn1 1P00DEYE [0,2,0,0,0,0|1,0,1]=4 5582 B10R1.15 O=CC(c1ccccc1)C 1P003BQ9 [0,2,0,0,0,0|2,0,0]=4 5583 B10R1.15 O=CN(c1ccccn1)C 1P003TOP [0,2,0,0,0,0|2,0,0]=4 5584 B10R1.15 O=NN(c1ccccn1)C 1P01RQSN [0,2,0,0,0,0|2,0,0]=4 5585 B10R1.15 OCC(=C)c1cccnc1 1P024ZQ7 [0,2,0,0,0,0|1,0,1]=4 5586 B10R1.15 OCC(=O)c1ccccn1 1P01DFA8 [0,2,0,0,0,0|1,0,1]=4 5587 B10R1.15 OCC(=O)c1cccnc1 1P008Z6T [0,2,0,0,0,0|1,0,1]=4 5588 B10R1.15 OCC(c1ccccc1)C 1P003ON3 [0,2,0,0,0,0|2,0,0]=4 5589 B10R1.15 OCC(c1ccccc1)N 1P003Q9L [0,2,0,0,0,0|2,0,0]=4 5590 B10R1.15 OCC(c1ccccc1)O 1P00IHWP [0,2,0,0,0,0|2,0,0]=4 5591 B10R1.15 OCC(c1ccccn1)C 1P01C4B7 [0,2,0,0,0,0|1,0,0]=3 5592 B10R1.15 OCC(c1ccccn1)N 1P003GT3 [0,2,0,0,0,0|1,0,0]=3 5593 B10R1.15 OCC(c1ccccn1)O 1P0285SM [0,2,0,0,0,0|1,0,0]=3 5594 B10R1.15 OCC(c1cccnc1)N 1P0092VK [0,2,0,0,0,0|1,0,0]=3 5595 B10R1.15 OCC(c1cncnc1)O 1P028XUK [0,2,0,0,0,0|2,0,0]=4 5596 B10R1.15 OC[C@@H](c1ccccc1)C 1P002FO5 [0,2,0,0,0,0|2,0,0]=4 5597 B10R1.15 OC[C@@H](c1ccccc1)N 1P0032U7 [0,2,0,0,0,0|2,0,0]=4 5598 B10R1.15 OC[C@@H](c1ccccc1)O 1P001UOQ [0,2,0,0,0,0|2,0,0]=4 5599 B10R1.15 OC[C@@H](c1ccccn1)N 1P01EMUX [0,2,0,0,0,0|1,0,0]=3 5600 B10R1.15 OC[C@H](c1ccccc1)C 1P003CUF [0,2,0,0,0,0|2,0,0]=4 5601 B10R1.15 OC[C@H](c1ccccc1)N 1P0032WQ [0,2,0,0,0,0|2,0,0]=4 5602 B10R1.15 OC[C@H](c1ccccc1)N 1P01KLDI [0,2,0,0,0,0|2,0,0]=4 5603 B10R1.15 OC[C@H](c1ccccc1)O 1P003CWM [0,2,0,0,0,0|2,0,0]=4 5604 B10R1.15 OC[C@H](c1ccccn1)N 1P01DWC6 [0,2,0,0,0,0|1,0,0]=3 5605 B10R1.15 OC[C@H](c1cccnc1)N 1P01X9M9 [0,2,0,0,0,0|1,0,0]=3 5606 B10R1.15 ONC(c1ccccc1)C 1P002XUP [0,2,0,0,0,0|2,0,0]=4 5607 B10R1.15 O\N=C(/c1cccnc1)\C 1P00EA84 [0,2,0,0,0,0|1,0,1]=4 5608 B10R1.15 O\N=C(\c1ccccn1)/C 1P00GPLO [0,2,0,0,0,0|1,0,1]=4 5609 B10R1.15 SCC(c1ccccc1)C 1P01BGUC [0,2,0,0,0,0|2,0,0]=4 5610 B10R1.15 [NH-]C[C@H](c1ccccc1)C 1P00809B [0,2,0,0,0,0|2,0,0]=4 5611 B10R1.28 CC(c1ccccc1)(Br)C 1P01EMEJ [0,2,0,0,0,0|2,0,0]=4 5612 B10R1.28 CC(c1ccccc1)(C)C 1P003V27 [0,2,0,0,0,0|2,0,0]=4 5613 B10R1.28 CC(c1ccccc1)(Cl)C 1P00GTI7 [0,2,0,0,0,0|2,0,0]=4 5614 B10R1.28 CC(c1ccccc1)(N)C 1P0036GZ [0,2,0,0,0,0|2,0,0]=4 5615 B10R1.28 CC(c1ccccc1)(O)C 1P003IBQ [0,2,0,0,0,0|2,0,0]=4 5616 B10R1.28 CC(c1ccccc1)(S)C 1P001UF2 [0,2,0,0,0,0|2,0,0]=4 5617 B10R1.28 CC(c1ccccn1)(F)F 1P009UZR [0,2,0,0,0,0|1,0,0]=3 5618 B10R1.28 CC(c1ccccn1)(N)C 1P000OR0 [0,2,0,0,0,0|1,0,0]=3 5619 B10R1.28 CC(c1ccccn1)(N)C 1P00DBUP [0,2,0,0,0,0|1,0,0]=3 5620 B10R1.28 CC(c1ccccn1)(O)C 1P00C80J [0,2,0,0,0,0|1,0,0]=3 5621 B10R1.28 CC(c1cccnc1)(C)C 1P00D3UF [0,2,0,0,0,0|1,0,0]=3 5622 B10R1.28 CC(c1cccnc1)(N)C 1P003FB2 [0,2,0,0,0,0|1,0,0]=3 5623 B10R1.28 CC(c1cccnc1)(O)C 1P001MYP [0,2,0,0,0,0|1,0,0]=3 5624 B10R1.28 CC(c1ncccn1)(N)C 1P01AV4K [0,2,0,0,0,0|2,0,0]=4 5625 B10R1.28 CC(c1ncccn1)(N)C 1P01JVF1 [0,2,0,0,0,0|2,0,0]=4 5626 B10R1.28 CC(c1ncccn1)(O)C 1P01BCT0 [0,2,0,0,0,0|2,0,0]=4 5627 B10R1.28 CC(c1nccnc1)(C)C 1P003IEI [0,2,0,0,0,0|0,0,0]=2 5628 B10R1.28 CC(c1nccnc1)(F)F 1P00916E [0,2,0,0,0,0|0,0,0]=2 5629 B10R1.28 CP(=O)(c1ccccn1)C 1P028NP1 [0,2,0,0,0,0|2,0,0]=4 5630 B10R1.28 CP(=O)(c1cccnc1)C 1P028MT4 [0,2,0,0,0,0|2,0,0]=4 5631 B10R1.28 CS(=O)(=N)c1ccccn1 1P00G5JK [0,2,0,0,0,0|2,0,0]=4 5632 B10R1.28 CS(=O)(=N)c1cccnc1 1P027RKY [0,2,0,0,0,0|2,0,0]=4 5633 B10R1.28 CS(=O)(=O)c1ccccn1 1P00APLA [0,2,0,0,0,0|2,0,0]=4 5634 B10R1.28 CS(=O)(=O)c1cccnc1 1P00DF3B [0,2,0,0,0,0|2,0,0]=4 5635 B10R1.28 CS(=O)(=O)c1nccnn1 1P01G113 [0,2,0,0,0,0|2,0,0]=4 5636 B10R1.28 C[Si](c1ccccn1)(C)C 1P0013NQ [0,2,0,0,0,0|1,1,0]=4 5637 B10R1.28 C[Si](c1cccnc1)(C)C 1P001ZMX [0,2,0,0,0,0|1,1,0]=4 5638 B10R1.28 C[Sn](c1ccccn1)(C)C 1P0013NP [0,2,0,0,0,0|2,0,0]=4 5639 B10R1.28 FC(c1ccccn1)(F)F 1P00BYB8 [0,2,0,0,0,0|2,0,0]=4 5640 B10R1.28 FC(c1cccnc1)(Cl)F 1P019JX9 [0,2,0,0,0,0|2,0,0]=4 5641 B10R1.28 FC(c1cccnc1)(F)F 1P003IRV [0,2,0,0,0,0|2,0,0]=4 5642 B10R1.28 FC(c1nccnc1)(F)F 1P003FMH [0,2,0,0,0,0|1,0,0]=3 5643 B10R1.28 FS(=O)(=O)c1nccnc1 1P01C9P4 [0,2,0,0,0,0|2,0,0]=4 5644 B10R1.28 NS(=O)(=O)c1nccnc1 1P01A04C [0,2,0,0,0,0|2,0,0]=4 5645 B10R1.28 O[B-](c1nccnc1)(O)O 1P009DVN [0,2,0,0,0,0|2,0,0]=4 5646 B10R1.61 CC(=O)c1cccnc1Br 1P004PFL [0,2,0,0,0,0|1,0,1]=4 5647 B10R1.61 CC(=O)c1cccnc1C 1P00APS4 [0,2,0,0,0,0|1,0,1]=4 5648 B10R1.61 CC(=O)c1cccnc1Cl 1P003413 [0,2,0,0,0,0|1,0,1]=4 5649 B10R1.61 CC(=O)c1cccnc1F 1P0058LW [0,2,0,0,0,0|1,0,1]=4 5650 B10R1.61 CC(=O)c1cccnc1N 1P003DA0 [0,2,0,0,0,0|1,0,1]=4 5651 B10R1.61 CC(=O)c1cnccc1C 1P00DIDY [0,2,0,0,0,0|1,0,1]=4 5652 B10R1.61 CC(=O)c1cnccc1Cl 1P01JV6G [0,2,0,0,0,0|1,0,1]=4 5653 B10R1.61 CC(=O)c1cnccc1N 1P019U55 [0,2,0,0,0,0|1,0,1]=4 5654 B10R1.61 CC(=O)c1cnccc1N 1P0280Q1 [0,2,0,0,0,0|1,0,1]=4 5655 B10R1.61 CC(=O)c1ncccc1Br 1P0083FB [0,2,0,0,0,0|1,0,1]=4 5656 B10R1.61 CC(=O)c1ncccc1C 1P003GRM [0,2,0,0,0,0|1,0,1]=4 5657 B10R1.61 CC(=O)c1ncccc1Cl 1P0073R0 [0,2,0,0,0,0|1,0,1]=4 5658 B10R1.61 CC(=O)c1ncccc1F 1P0036MY [0,2,0,0,0,0|1,0,1]=4 5659 B10R1.61 CC(=O)c1ncccc1N 1P0010P6 [0,2,0,0,0,0|1,0,1]=4 5660 B10R1.61 CC(=O)c1ncccc1O 1P0010P5 [0,2,0,0,0,0|1,0,1]=4 5661 B10R1.61 CC(=O)c1nccnc1C 1P0033J9 [0,2,0,0,0,0|0,0,1]=3 5662 B10R1.61 CC(=O)c1nccnc1Cl 1P009X3P [0,2,0,0,0,0|0,0,1]=3 5663 B10R1.61 CC(c1ccc[nH]c1=O)N 1P01XCEB [0,2,0,0,0,0|1,0,1]=4 5664 B10R1.61 CC(c1ccccc1Br)Br 1P019XVS [0,2,0,0,0,0|2,0,0]=4 5665 B10R1.61 CC(c1ccccc1Br)C 1P003EJ7 [0,2,0,0,0,0|2,0,0]=4 5666 B10R1.61 CC(c1ccccc1Br)Cl 1P01DKNF [0,2,0,0,0,0|2,0,0]=4 5667 B10R1.61 CC(c1ccccc1Br)N 1P000AHK [0,2,0,0,0,0|2,0,0]=4 5668 B10R1.61 CC(c1ccccc1Br)N 1P0092T3 [0,2,0,0,0,0|2,0,0]=4 5669 B10R1.61 CC(c1ccccc1Br)O 1P003DA9 [0,2,0,0,0,0|2,0,0]=4 5670 B10R1.61 CC(c1ccccc1C)Br 1P01A1EI [0,2,0,0,0,0|2,0,0]=4 5671 B10R1.61 CC(c1ccccc1C)N 1P003DBW [0,2,0,0,0,0|2,0,0]=4 5672 B10R1.61 CC(c1ccccc1C)N 1P003DBX [0,2,0,0,0,0|2,0,0]=4 5673 B10R1.61 CC(c1ccccc1C)O 1P003DBY [0,2,0,0,0,0|2,0,0]=4 5674 B10R1.61 CC(c1ccccc1Cl)Br 1P019WZ5 [0,2,0,0,0,0|2,0,0]=4 5675 B10R1.61 CC(c1ccccc1Cl)Cl 1P003ENU [0,2,0,0,0,0|2,0,0]=4 5676 B10R1.61 CC(c1ccccc1Cl)N 1P003DAL [0,2,0,0,0,0|2,0,0]=4 5677 B10R1.61 CC(c1ccccc1Cl)N 1P004TXJ [0,2,0,0,0,0|2,0,0]=4 5678 B10R1.61 CC(c1ccccc1Cl)O 1P003DAM [0,2,0,0,0,0|2,0,0]=4 5679 B10R1.61 CC(c1ccccc1Cl)S 1P019Y2B [0,2,0,0,0,0|2,0,0]=4 5680 B10R1.61 CC(c1ccccc1F)Br 1P00CMDW [0,2,0,0,0,0|2,0,0]=4 5681 B10R1.61 CC(c1ccccc1F)C 1P0028LT [0,2,0,0,0,0|2,0,0]=4 5682 B10R1.61 CC(c1ccccc1F)Cl 1P00JZKB [0,2,0,0,0,0|2,0,0]=4 5683 B10R1.61 CC(c1ccccc1F)N 1P0059PI [0,2,0,0,0,0|2,0,0]=4 5684 B10R1.61 CC(c1ccccc1F)O 1P003DB1 [0,2,0,0,0,0|2,0,0]=4 5685 B10R1.61 CC(c1ccccc1F)S 1P01A8HI [0,2,0,0,0,0|2,0,0]=4 5686 B10R1.61 CC(c1ccccc1I)C 1P002FFC [0,2,0,0,0,0|2,0,0]=4 5687 B10R1.61 CC(c1ccccc1N)C 1P003HYD [0,2,0,0,0,0|2,0,0]=4 5688 B10R1.61 CC(c1ccccc1N)N 1P01A3PI [0,2,0,0,0,0|2,0,0]=4 5689 B10R1.61 CC(c1ccccc1N)O 1P003D9Y [0,2,0,0,0,0|2,0,0]=4 5690 B10R1.61 CC(c1ccccc1O)C 1P0047XW [0,2,0,0,0,0|2,0,0]=4 5691 B10R1.61 CC(c1ccccc1O)N 1P00H1GO [0,2,0,0,0,0|2,0,0]=4 5692 B10R1.61 CC(c1ccccc1O)O 1P01DL38 [0,2,0,0,0,0|2,0,0]=4 5693 B10R1.61 CC(c1ccccc1S)C 1P003HYE [0,2,0,0,0,0|2,0,0]=4 5694 B10R1.61 CC(c1cccnc1Br)Br 1P01BQIP [0,2,0,0,0,0|1,0,0]=3 5695 B10R1.61 CC(c1cccnc1Br)C 1P01FPCO [0,2,0,0,0,0|1,0,0]=3 5696 B10R1.61 CC(c1cccnc1C)N 1P00H2TM [0,2,0,0,0,0|1,0,0]=3 5697 B10R1.61 CC(c1cccnc1C)N 1P028K8Y [0,2,0,0,0,0|1,0,0]=3 5698 B10R1.61 CC(c1cccnc1C)O 1P01B7I5 [0,2,0,0,0,0|1,0,0]=3 5699 B10R1.61 CC(c1cccnc1Cl)O 1P00100N [0,2,0,0,0,0|1,0,0]=3 5700 B10R1.61 CC(c1cccnc1F)N 1P01UNGB [0,2,0,0,0,0|1,0,0]=3 5701 B10R1.61 CC(c1cccnc1F)O 1P00GB0N [0,2,0,0,0,0|1,0,0]=3 5702 B10R1.61 CC(c1cccnc1N)C 1P00ILHF [0,2,0,0,0,0|1,0,0]=3 5703 B10R1.61 CC(c1cccnc1N)N 1P0174Q9 [0,2,0,0,0,0|1,0,0]=3 5704 B10R1.61 CC(c1cccnc1N)N 1P027TVU [0,2,0,0,0,0|1,0,0]=3 5705 B10R1.61 CC(c1cnccc1C)N 1P01A4NT [0,2,0,0,0,0|1,0,0]=3 5706 B10R1.61 CC(c1cnccc1C)O 1P009SOU [0,2,0,0,0,0|1,0,0]=3 5707 B10R1.61 CC(c1cnccc1N)C 1P00IGI9 [0,2,0,0,0,0|1,0,0]=3 5708 B10R1.61 CC(c1cnccc1O)C 1P01DZ0R [0,2,0,0,0,0|1,0,0]=3 5709 B10R1.61 CC(c1cnccc1O)N 1P028OZO [0,2,0,0,0,0|1,0,0]=3 5710 B10R1.61 CC(c1cncnc1C)O 1P01AGJV [0,2,0,0,0,0|2,0,0]=4 5711 B10R1.61 CC(c1cncnc1Cl)C 1P0005CE [0,2,0,0,0,0|2,0,0]=4 5712 B10R1.61 CC(c1cncnc1N)C 1P00E0ZX [0,2,0,0,0,0|2,0,0]=4 5713 B10R1.61 CC(c1ncc[nH]c1=O)C 1P00BVBN [0,2,0,0,0,0|0,0,1]=3 5714 B10R1.61 CC(c1ncccc1Br)C 1P01K17I [0,2,0,0,0,0|1,0,0]=3 5715 B10R1.61 CC(c1ncccc1Br)N 1P01JV6R [0,2,0,0,0,0|1,0,0]=3 5716 B10R1.61 CC(c1ncccc1C)N 1P008O6T [0,2,0,0,0,0|1,0,0]=3 5717 B10R1.61 CC(c1ncccc1C)N 1P01DE8D [0,2,0,0,0,0|1,0,0]=3 5718 B10R1.61 CC(c1ncccc1C)O 1P00IDDS [0,2,0,0,0,0|1,0,0]=3 5719 B10R1.61 CC(c1ncccc1Cl)N 1P028JLT [0,2,0,0,0,0|1,0,0]=3 5720 B10R1.61 CC(c1ncccc1F)N 1P009YRQ [0,2,0,0,0,0|1,0,0]=3 5721 B10R1.61 CC(c1ncccc1F)N 1P01C2U2 [0,2,0,0,0,0|1,0,0]=3 5722 B10R1.61 CC(c1ncccc1F)O 1P003DDM [0,2,0,0,0,0|1,0,0]=3 5723 B10R1.61 CC(c1ncccc1N)C 1P01BICZ [0,2,0,0,0,0|1,0,0]=3 5724 B10R1.61 CC(c1ncccc1O)C 1P002HLD [0,2,0,0,0,0|1,0,0]=3 5725 B10R1.61 CC(c1nccnc1C)Br 1P01FIOE [0,2,0,0,0,0|0,0,0]=2 5726 B10R1.61 CC(c1nccnc1C)N 1P01BSMC [0,2,0,0,0,0|0,0,0]=2 5727 B10R1.61 CC(c1nccnc1Cl)C 1P00EK8L [0,2,0,0,0,0|0,0,0]=2 5728 B10R1.61 CC(c1nccnc1Cl)N 1P02235G [0,2,0,0,0,0|0,0,0]=2 5729 B10R1.61 CC(c1nccnc1Cl)O 1P01XFKE [0,2,0,0,0,0|0,0,0]=2 5730 B10R1.61 CC(c1nccnc1N)C 1P01BIHV [0,2,0,0,0,0|0,0,0]=2 5731 B10R1.61 CC(c1ncncc1Br)C 1P00374C [0,2,0,0,0,0|2,0,0]=4 5732 B10R1.61 CC(c1ncncc1N)C 1P01FJTP [0,2,0,0,0,0|2,0,0]=4 5733 B10R1.61 CC(c1ncncc1N)C 1P01FJTQ [0,2,0,0,0,0|2,0,0]=4 5734 B10R1.61 CC(c1ncncc1O)C 1P0282FI [0,2,0,0,0,0|2,0,0]=4 5735 B10R1.61 CN(c1cccnc1N)C 1P01A7DQ [0,2,0,0,0,0|2,0,0]=4 5736 B10R1.61 CN(c1cnccc1N)C 1P01A6MO [0,2,0,0,0,0|2,0,0]=4 5737 B10R1.61 CN(c1cnccc1N)C 1P02859L [0,2,0,0,0,0|2,0,0]=4 5738 B10R1.61 CN(c1ncccc1Br)C 1P00960E [0,2,0,0,0,0|2,0,0]=4 5739 B10R1.61 CN(c1ncccc1N)C 1P00J2OT [0,2,0,0,0,0|2,0,0]=4 5740 B10R1.61 CN(c1ncccc1N)C 1P00J3KS [0,2,0,0,0,0|2,0,0]=4 5741 B10R1.61 CN(c1ncccc1O)C 1P00CH10 [0,2,0,0,0,0|2,0,0]=4 5742 B10R1.61 CN(c1ncccc1S)C 1P028008 [0,2,0,0,0,0|2,0,0]=4 5743 B10R1.61 CN(c1nccnc1Cl)C 1P00DK0C [0,2,0,0,0,0|1,0,0]=3 5744 B10R1.61 CN(c1nccnc1N)C 1P00428Z [0,2,0,0,0,0|1,0,0]=3 5745 B10R1.61 C[C@@H](c1ccccc1Br)N 1P001D2B [0,2,0,0,0,0|2,0,0]=4 5746 B10R1.61 C[C@@H](c1ccccc1Br)N 1P008ZLH [0,2,0,0,0,0|2,0,0]=4 5747 B10R1.61 C[C@@H](c1ccccc1Br)O 1P000EVE [0,2,0,0,0,0|2,0,0]=4 5748 B10R1.61 C[C@@H](c1ccccc1C)N 1P0014ZZ [0,2,0,0,0,0|2,0,0]=4 5749 B10R1.61 C[C@@H](c1ccccc1C)N 1P00G60I [0,2,0,0,0,0|2,0,0]=4 5750 B10R1.61 C[C@@H](c1ccccc1C)O 1P00DA1B [0,2,0,0,0,0|2,0,0]=4 5751 B10R1.61 C[C@@H](c1ccccc1Cl)N 1P005LCN [0,2,0,0,0,0|2,0,0]=4 5752 B10R1.61 C[C@@H](c1ccccc1Cl)N 1P009ZP2 [0,2,0,0,0,0|2,0,0]=4 5753 B10R1.61 C[C@@H](c1ccccc1Cl)O 1P0010AH [0,2,0,0,0,0|2,0,0]=4 5754 B10R1.61 C[C@@H](c1ccccc1F)N 1P001501 [0,2,0,0,0,0|2,0,0]=4 5755 B10R1.61 C[C@@H](c1ccccc1F)N 1P006CBN [0,2,0,0,0,0|2,0,0]=4 5756 B10R1.61 C[C@@H](c1ccccc1F)O 1P007UPU [0,2,0,0,0,0|2,0,0]=4 5757 B10R1.61 C[C@@H](c1ccccc1O)N 1P007NTC [0,2,0,0,0,0|2,0,0]=4 5758 B10R1.61 C[C@@H](c1ccccc1O)N 1P024HV8 [0,2,0,0,0,0|2,0,0]=4 5759 B10R1.61 C[C@@H](c1cccnc1C)N 1P028OLA [0,2,0,0,0,0|1,0,0]=3 5760 B10R1.61 C[C@@H](c1cccnc1F)N 1P028EX4 [0,2,0,0,0,0|1,0,0]=3 5761 B10R1.61 C[C@@H](c1cccnc1F)O 1P0288J7 [0,2,0,0,0,0|1,0,0]=3 5762 B10R1.61 C[C@@H](c1cnccc1Cl)O 1P024ZGG [0,2,0,0,0,0|1,0,0]=3 5763 B10R1.61 C[C@@H](c1cncnc1C)O 1P01BHDH [0,2,0,0,0,0|2,0,0]=4 5764 B10R1.61 C[C@@H](c1ncccc1Br)O 1P01C38K [0,2,0,0,0,0|1,0,0]=3 5765 B10R1.61 C[C@@H](c1ncccc1Br)O 1P01XBYD [0,2,0,0,0,0|1,0,0]=3 5766 B10R1.61 C[C@@H](c1ncccc1Cl)N 1P01R1ZY [0,2,0,0,0,0|1,0,0]=3 5767 B10R1.61 C[C@@H](c1ncccc1F)N 1P01BGT9 [0,2,0,0,0,0|1,0,0]=3 5768 B10R1.61 C[C@@H](c1ncccc1F)O 1P01BGYU [0,2,0,0,0,0|1,0,0]=3 5769 B10R1.61 C[C@@H](c1nccnc1C)N 1P01FJTG [0,2,0,0,0,0|0,0,0]=2 5770 B10R1.61 C[C@H](c1ccccc1Br)N 1P000AOU [0,2,0,0,0,0|2,0,0]=4 5771 B10R1.61 C[C@H](c1ccccc1Br)N 1P0092RK [0,2,0,0,0,0|2,0,0]=4 5772 B10R1.61 C[C@H](c1ccccc1Br)O 1P0058C2 [0,2,0,0,0,0|2,0,0]=4 5773 B10R1.61 C[C@H](c1ccccc1C)N 1P008HMX [0,2,0,0,0,0|2,0,0]=4 5774 B10R1.61 C[C@H](c1ccccc1C)N 1P008Y12 [0,2,0,0,0,0|2,0,0]=4 5775 B10R1.61 C[C@H](c1ccccc1C)O 1P00CLM3 [0,2,0,0,0,0|2,0,0]=4 5776 B10R1.61 C[C@H](c1ccccc1Cl)N 1P000DMI [0,2,0,0,0,0|2,0,0]=4 5777 B10R1.61 C[C@H](c1ccccc1Cl)N 1P000XTH [0,2,0,0,0,0|2,0,0]=4 5778 B10R1.61 C[C@H](c1ccccc1Cl)O 1P003CNI [0,2,0,0,0,0|2,0,0]=4 5779 B10R1.61 C[C@H](c1ccccc1F)N 1P000DPW [0,2,0,0,0,0|2,0,0]=4 5780 B10R1.61 C[C@H](c1ccccc1F)N 1P007790 [0,2,0,0,0,0|2,0,0]=4 5781 B10R1.61 C[C@H](c1ccccc1F)O 1P00HZ87 [0,2,0,0,0,0|2,0,0]=4 5782 B10R1.61 C[C@H](c1ccccc1O)N 1P000LS1 [0,2,0,0,0,0|2,0,0]=4 5783 B10R1.61 C[C@H](c1ccccc1O)N 1P01BTZ7 [0,2,0,0,0,0|2,0,0]=4 5784 B10R1.61 C[C@H](c1ccccc1O)O 1P023PVI [0,2,0,0,0,0|2,0,0]=4 5785 B10R1.61 C[C@H](c1cccnc1F)N 1P028EHU [0,2,0,0,0,0|1,0,0]=3 5786 B10R1.61 C[C@H](c1cccnc1F)O 1P024V0A [0,2,0,0,0,0|1,0,0]=3 5787 B10R1.61 C[C@H](c1cnccc1Cl)O 1P028JWR [0,2,0,0,0,0|1,0,0]=3 5788 B10R1.61 C[C@H](c1cncnc1C)N 1P01BE0I [0,2,0,0,0,0|2,0,0]=4 5789 B10R1.61 C[C@H](c1cncnc1C)O 1P01BHDG [0,2,0,0,0,0|2,0,0]=4 5790 B10R1.61 C[C@H](c1ncccc1Br)O 1P01C38Q [0,2,0,0,0,0|1,0,0]=3 5791 B10R1.61 C[C@H](c1ncccc1C)N 1P01JV4F [0,2,0,0,0,0|1,0,0]=3 5792 B10R1.61 C[C@H](c1ncccc1C)N 1P01KL6O [0,2,0,0,0,0|1,0,0]=3 5793 B10R1.61 C[C@H](c1ncccc1F)N 1P01BH0Y [0,2,0,0,0,0|1,0,0]=3 5794 B10R1.61 C[C@H](c1ncccc1F)O 1P01BH00 [0,2,0,0,0,0|1,0,0]=3 5795 B10R1.61 C[C@H](c1nccnc1C)N 1P01FJTH [0,2,0,0,0,0|0,0,0]=2 5796 B10R1.61 FC(c1cccnc1Br)F 1P0090T7 [0,2,0,0,0,0|2,0,0]=4 5797 B10R1.61 FC(c1cccnc1Cl)F 1P00IEL6 [0,2,0,0,0,0|2,0,0]=4 5798 B10R1.61 FC(c1cccnc1F)F 1P019D9D [0,2,0,0,0,0|2,0,0]=4 5799 B10R1.61 FC(c1cccnc1N)F 1P00IF9W [0,2,0,0,0,0|2,0,0]=4 5800 B10R1.61 FC(c1cnccc1Cl)F 1P024ZHA [0,2,0,0,0,0|2,0,0]=4 5801 B10R1.61 FC(c1ncccc1Br)F 1P0095V8 [0,2,0,0,0,0|2,0,0]=4 5802 B10R1.61 FC(c1ncccc1C)F 1P01DZFW [0,2,0,0,0,0|2,0,0]=4 5803 B10R1.61 FC(c1ncccc1Cl)F 1P01K0EQ [0,2,0,0,0,0|2,0,0]=4 5804 B10R1.61 NC(=O)c1nccnc1Br 1P002VB7 [0,2,0,0,0,0|1,0,1]=4 5805 B10R1.61 NC(=O)c1nccnc1Cl 1P003JS7 [0,2,0,0,0,0|1,0,1]=4 5806 B10R1.61 NC(=O)c1nccnc1N 1P00CAO8 [0,2,0,0,0,0|1,0,1]=4 5807 B10R1.61 NC(=O)c1nccnc1O 1P003K1L [0,2,0,0,0,0|1,0,1]=4 5808 B10R1.61 NC(=S)c1nccnc1N 1P01SCJN [0,2,0,0,0,0|1,0,1]=4 5809 B10R1.61 OC(=O)c1nccnc1Br 1P00H1EL [0,2,0,0,0,0|1,0,1]=4 5810 B10R1.61 OC(=O)c1nccnc1C 1P003485 [0,2,0,0,0,0|1,0,1]=4 5811 B10R1.61 OC(=O)c1nccnc1Cl 1P003JS8 [0,2,0,0,0,0|1,0,1]=4 5812 B10R1.61 OC(=O)c1nccnc1F 1P01OMF7 [0,2,0,0,0,0|1,0,1]=4 5813 B10R1.61 OC(=O)c1nccnc1I 1P007P3R [0,2,0,0,0,0|1,0,1]=4 5814 B10R1.61 OC(=O)c1nccnc1N 1P003JEP [0,2,0,0,0,0|1,0,1]=4 5815 B10R1.61 OC(=O)c1nccnc1S 1P01ANEF [0,2,0,0,0,0|1,0,1]=4 5816 B10R1.61 [O-][N+](=O)c1nccnc1Cl 1P0036RO [0,2,0,0,0,0|2,0,0]=4 5817 B10R1.4 BrCCc1ccccc1Br 1P008S5Q [0,2,0,0,0,0|2,0,0]=4 5818 B10R1.4 BrCCc1ccccc1C 1P001Y5M [0,2,0,0,0,0|2,0,0]=4 5819 B10R1.4 BrCCc1ccccc1Cl 1P001Y5L [0,2,0,0,0,0|2,0,0]=4 5820 B10R1.4 BrCCc1ccccc1F 1P003DA4 [0,2,0,0,0,0|2,0,0]=4 5821 B10R1.4 BrCCc1ccccc1O 1P00ELH4 [0,2,0,0,0,0|2,0,0]=4 5822 B10R1.4 Brc1ncccc1CC#N 1P009MOT [0,2,0,0,0,0|1,0,1]=4 5823 B10R1.4 CCCc1ccccc1Br 1P01A28R [0,2,0,0,0,0|2,0,0]=4 5824 B10R1.4 CCCc1ccccc1I 1P007DSL [0,2,0,0,0,0|2,0,0]=4 5825 B10R1.4 CCCc1ccccc1N 1P0023UO [0,2,0,0,0,0|2,0,0]=4 5826 B10R1.4 CCCc1ccccc1N 1P028ATX [0,2,0,0,0,0|2,0,0]=4 5827 B10R1.4 CCCc1nccnc1Cl 1P01B7EN [0,2,0,0,0,0|0,0,0]=2 5828 B10R1.4 CCCc1nccnc1N 1P01B74B [0,2,0,0,0,0|0,0,0]=2 5829 B10R1.4 CCNc1ccccc1Br 1P01JMHB [0,2,0,0,0,0|2,0,0]=4 5830 B10R1.4 CCNc1ccccc1C 1P00IIDL [0,2,0,0,0,0|2,0,0]=4 5831 B10R1.4 CCNc1ccccc1Cl 1P01B8QN [0,2,0,0,0,0|2,0,0]=4 5832 B10R1.4 CCNc1ccccc1F 1P00BEFS [0,2,0,0,0,0|2,0,0]=4 5833 B10R1.4 CCNc1ccccc1I 1P028SHN [0,2,0,0,0,0|2,0,0]=4 5834 B10R1.4 CCNc1ccccc1N 1P00BJJ4 [0,2,0,0,0,0|2,0,0]=4 5835 B10R1.4 CCNc1ccccc1O 1P0037GB [0,2,0,0,0,0|2,0,0]=4 5836 B10R1.4 CCNc1ccccc1O 1P0282E1 [0,2,0,0,0,0|2,0,0]=4 5837 B10R1.4 CCNc1cccnc1N 1P00BBQE [0,2,0,0,0,0|1,0,0]=3 5838 B10R1.4 CCNc1ncccc1C 1P01BI60 [0,2,0,0,0,0|1,0,0]=3 5839 B10R1.4 CCNc1ncccc1I 1P0283H5 [0,2,0,0,0,0|1,0,0]=3 5840 B10R1.4 CCNc1ncccc1N 1P007HGD [0,2,0,0,0,0|1,0,0]=3 5841 B10R1.4 CCNc1ncccc1N 1P019X8Y [0,2,0,0,0,0|1,0,0]=3 5842 B10R1.4 CCNc1nccnc1Cl 1P01ADOY [0,2,0,0,0,0|0,0,0]=2 5843 B10R1.4 CCNc1nccnc1N 1P00H39U [0,2,0,0,0,0|0,0,0]=2 5844 B10R1.4 CCOc1ccc[nH]c1=O 1P00H06L [0,2,0,0,0,0|1,0,1]=4 5845 B10R1.4 CCOc1ccccc1Br 1P003EJT [0,2,0,0,0,0|2,0,0]=4 5846 B10R1.4 CCOc1ccccc1C 1P00EDEP [0,2,0,0,0,0|2,0,0]=4 5847 B10R1.4 CCOc1ccccc1F 1P00DC78 [0,2,0,0,0,0|2,0,0]=4 5848 B10R1.4 CCOc1ccccc1I 1P00EOB3 [0,2,0,0,0,0|2,0,0]=4 5849 B10R1.4 CCOc1ccccc1N 1P003HMW [0,2,0,0,0,0|2,0,0]=4 5850 B10R1.4 CCOc1ccccc1N 1P003TY7 [0,2,0,0,0,0|2,0,0]=4 5851 B10R1.4 CCOc1cccnc1Br 1P00436J [0,2,0,0,0,0|1,0,0]=3 5852 B10R1.4 CCOc1cccnc1F 1P00IDVS [0,2,0,0,0,0|1,0,0]=3 5853 B10R1.4 CCOc1cccnc1N 1P00019E [0,2,0,0,0,0|1,0,0]=3 5854 B10R1.4 CCOc1cnccc1N 1P00GU33 [0,2,0,0,0,0|1,0,0]=3 5855 B10R1.4 CCOc1ncccc1Br 1P003JH0 [0,2,0,0,0,0|1,0,0]=3 5856 B10R1.4 CCOc1ncccc1Cl 1P0025YL [0,2,0,0,0,0|1,0,0]=3 5857 B10R1.4 CCOc1ncccc1I 1P003HMK [0,2,0,0,0,0|1,0,0]=3 5858 B10R1.4 CCOc1ncccc1N 1P00DLRU [0,2,0,0,0,0|1,0,0]=3 5859 B10R1.4 CCOc1ncccc1O 1P002HLC [0,2,0,0,0,0|1,0,0]=3 5860 B10R1.4 CCOc1nccnc1Cl 1P00K0RP [0,2,0,0,0,0|0,0,0]=2 5861 B10R1.4 CCOc1nccnc1N 1P0042RB [0,2,0,0,0,0|0,0,0]=2 5862 B10R1.4 CCOc1ncncc1N 1P00DKHP [0,2,0,0,0,0|2,0,0]=4 5863 B10R1.4 CCSc1ccc[nH]c1=O 1P01E38X [0,2,0,0,0,0|1,0,1]=4 5864 B10R1.4 CCSc1ccccc1Br 1P008E10 [0,2,0,0,0,0|2,0,0]=4 5865 B10R1.4 CCSc1ccccc1Cl 1P00I77K [0,2,0,0,0,0|2,0,0]=4 5866 B10R1.4 CCSc1ccccc1N 1P001AY7 [0,2,0,0,0,0|2,0,0]=4 5867 B10R1.4 CCSc1ccccc1N 1P00J3QB [0,2,0,0,0,0|2,0,0]=4 5868 B10R1.4 CCSc1ccccc1O 1P002Z6A [0,2,0,0,0,0|2,0,0]=4 5869 B10R1.4 CCSc1cccnc1Cl 1P028BNW [0,2,0,0,0,0|1,0,0]=3 5870 B10R1.4 CCSc1cnccc1N 1P0290M3 [0,2,0,0,0,0|1,0,0]=3 5871 B10R1.4 CNCc1ccc[nH]c1=O 1P028W37 [0,2,0,0,0,0|1,0,1]=4 5872 B10R1.4 CNCc1ccccc1Br 1P003C2Q [0,2,0,0,0,0|2,0,0]=4 5873 B10R1.4 CNCc1ccccc1C 1P004MU6 [0,2,0,0,0,0|2,0,0]=4 5874 B10R1.4 CNCc1ccccc1C 1P00J2B1 [0,2,0,0,0,0|2,0,0]=4 5875 B10R1.4 CNCc1ccccc1Cl 1P005WFN [0,2,0,0,0,0|2,0,0]=4 5876 B10R1.4 CNCc1ccccc1F 1P003C3Y [0,2,0,0,0,0|2,0,0]=4 5877 B10R1.4 CNCc1ccccc1F 1P019WE2 [0,2,0,0,0,0|2,0,0]=4 5878 B10R1.4 CNCc1ccccc1I 1P028D3W [0,2,0,0,0,0|2,0,0]=4 5879 B10R1.4 CNCc1ccccc1N 1P00B4VD [0,2,0,0,0,0|2,0,0]=4 5880 B10R1.4 CNCc1ccccc1O 1P003HWH [0,2,0,0,0,0|2,0,0]=4 5881 B10R1.4 CNCc1ccccc1O 1P00IBRS [0,2,0,0,0,0|2,0,0]=4 5882 B10R1.4 CNCc1ccccc1O 1P019NN0 [0,2,0,0,0,0|2,0,0]=4 5883 B10R1.4 CNCc1cccnc1Br 1P028TJK [0,2,0,0,0,0|1,0,0]=3 5884 B10R1.4 CNCc1cccnc1Cl 1P00J21X [0,2,0,0,0,0|1,0,0]=3 5885 B10R1.4 CNCc1cccnc1Cl 1P0285O8 [0,2,0,0,0,0|1,0,0]=3 5886 B10R1.4 CNCc1ncccc1C 1P004GWM [0,2,0,0,0,0|1,0,0]=3 5887 B10R1.4 CNCc1ncccc1Cl 1P028SIC [0,2,0,0,0,0|1,0,0]=3 5888 B10R1.4 COCc1ccccc1Br 1P00DAT5 [0,2,0,0,0,0|2,0,0]=4 5889 B10R1.4 COCc1ccccc1N 1P019UQK [0,2,0,0,0,0|2,0,0]=4 5890 B10R1.4 COCc1ccccc1O 1P00EIVC [0,2,0,0,0,0|2,0,0]=4 5891 B10R1.4 COCc1cccnc1Br 1P01QOYF [0,2,0,0,0,0|1,0,0]=3 5892 B10R1.4 CSCc1ccccc1Br 1P01AM4A [0,2,0,0,0,0|2,0,0]=4 5893 B10R1.4 CSCc1ccccc1F 1P01DIBG [0,2,0,0,0,0|2,0,0]=4 5894 B10R1.4 CSCc1ccccc1N 1P01AC36 [0,2,0,0,0,0|2,0,0]=4 5895 B10R1.4 Cc1ccncc1CC#N 1P01AD43 [0,2,0,0,0,0|1,0,1]=4 5896 B10R1.4 Cc1ccncc1CCN 1P01A10B [0,2,0,0,0,0|1,0,0]=3 5897 B10R1.4 Cc1ccncc1NCC 1P01BHHU [0,2,0,0,0,0|1,0,0]=3 5898 B10R1.4 Cc1ncccc1CC#N 1P0004CB [0,2,0,0,0,0|1,0,1]=4 5899 B10R1.4 Cc1ncccc1CCN 1P00E8BN [0,2,0,0,0,0|1,0,0]=3 5900 B10R1.4 Cc1ncccc1CNC 1P003I33 [0,2,0,0,0,0|1,0,0]=3 5901 B10R1.4 Cc1ncccc1NCC 1P01BHU6 [0,2,0,0,0,0|1,0,0]=3 5902 B10R1.4 Cc1nccnc1CC#N 1P01BIFE [0,2,0,0,0,0|0,0,1]=3 5903 B10R1.4 Cc1nccnc1CCN 1P01AN51 [0,2,0,0,0,0|0,0,0]=2 5904 B10R1.4 Cc1nccnc1CCO 1P00E9U6 [0,2,0,0,0,0|0,0,0]=2 5905 B10R1.4 Cc1nccnc1NCC 1P01BHBI [0,2,0,0,0,0|0,0,0]=2 5906 B10R1.4 Cc1nccnc1OCC 1P003JU7 [0,2,0,0,0,0|0,0,0]=2 5907 B10R1.4 ClCCc1ccccc1Br 1P01BE7C [0,2,0,0,0,0|2,0,0]=4 5908 B10R1.4 ClCCc1ccccc1C 1P0076GQ [0,2,0,0,0,0|2,0,0]=4 5909 B10R1.4 ClCCc1ccccc1Cl 1P0002MK [0,2,0,0,0,0|2,0,0]=4 5910 B10R1.4 ClCCc1ccccc1F 1P000Q40 [0,2,0,0,0,0|2,0,0]=4 5911 B10R1.4 ClCCc1cncnc1Cl 1P01C5DO [0,2,0,0,0,0|2,0,0]=4 5912 B10R1.4 Clc1ccncc1CC#N 1P024ZI3 [0,2,0,0,0,0|1,0,1]=4 5913 B10R1.4 Clc1ncccc1CC#N 1P000406 [0,2,0,0,0,0|1,0,1]=4 5914 B10R1.4 Clc1ncccc1CCCl 1P01EMD0 [0,2,0,0,0,0|1,0,0]=3 5915 B10R1.4 Clc1nccnc1CC#N 1P00H043 [0,2,0,0,0,0|0,0,1]=3 5916 B10R1.4 Fc1ncccc1CCCl 1P028QVG [0,2,0,0,0,0|1,0,0]=3 5917 B10R1.4 ICCc1ccccc1F 1P01BEPP [0,2,0,0,0,0|2,0,0]=4 5918 B10R1.4 N#CCc1ncccc1Br 1P000K2I [0,2,0,0,0,0|1,0,1]=4 5919 B10R1.4 N#CCc1ncccc1Cl 1P00ACEW [0,2,0,0,0,0|1,0,1]=4 5920 B10R1.4 N#CCc1ncccc1F 1P001M7N [0,2,0,0,0,0|1,0,1]=4 5921 B10R1.4 N#CCc1ncccc1F 1P01EK98 [0,2,0,0,0,0|1,0,1]=4 5922 B10R1.4 N#CCc1ncccc1N 1P01ENOR [0,2,0,0,0,0|1,0,1]=4 5923 B10R1.4 NCCc1ccccc1Br 1P0033NE [0,2,0,0,0,0|2,0,0]=4 5924 B10R1.4 NCCc1ccccc1Br 1P009XKK [0,2,0,0,0,0|2,0,0]=4 5925 B10R1.4 NCCc1ccccc1C 1P00IAEQ [0,2,0,0,0,0|2,0,0]=4 5926 B10R1.4 NCCc1ccccc1Cl 1P003F85 [0,2,0,0,0,0|2,0,0]=4 5927 B10R1.4 NCCc1ccccc1F 1P00DERZ [0,2,0,0,0,0|2,0,0]=4 5928 B10R1.4 NCCc1ccccc1I 1P005C61 [0,2,0,0,0,0|2,0,0]=4 5929 B10R1.4 NCCc1ccccc1N 1P000HRK [0,2,0,0,0,0|2,0,0]=4 5930 B10R1.4 NCCc1ccccc1N 1P00DED7 [0,2,0,0,0,0|2,0,0]=4 5931 B10R1.4 NCCc1ccccc1O 1P0029N4 [0,2,0,0,0,0|2,0,0]=4 5932 B10R1.4 NCCc1ccccc1O 1P019VVD [0,2,0,0,0,0|2,0,0]=4 5933 B10R1.4 NCCc1cccnc1Cl 1P028PPO [0,2,0,0,0,0|1,0,0]=3 5934 B10R1.4 NCCc1cccnc1F 1P028R5T [0,2,0,0,0,0|1,0,0]=3 5935 B10R1.4 NCCc1cccnc1O 1P027WOI [0,2,0,0,0,0|1,0,0]=3 5936 B10R1.4 NCCc1cccnc1O 1P028FLD [0,2,0,0,0,0|1,0,0]=3 5937 B10R1.4 NCCc1ncccc1Br 1P006RZ7 [0,2,0,0,0,0|1,0,0]=3 5938 B10R1.4 NCCc1ncccc1C 1P004NE2 [0,2,0,0,0,0|1,0,0]=3 5939 B10R1.4 NCCc1ncccc1C 1P01C4WV [0,2,0,0,0,0|1,0,0]=3 5940 B10R1.4 NCCc1ncccc1F 1P00AO5H [0,2,0,0,0,0|1,0,0]=3 5941 B10R1.4 NCCn1cccnc1=O 1P01FJVP [0,2,0,0,0,0|2,0,0]=4 5942 B10R1.4 NCCn1cnccc1=O 1P01C4PJ [0,2,0,0,0,0|2,0,0]=4 5943 B10R1.4 NCCn1ncccc1=O 1P01AS7H [0,2,0,0,0,0|2,0,0]=4 5944 B10R1.4 Nc1ncccc1CC#N 1P01KKFD [0,2,0,0,0,0|1,0,1]=4 5945 B10R1.4 Nc1ncccc1CCN 1P01EKM6 [0,2,0,0,0,0|1,0,0]=3 5946 B10R1.4 OCCc1cccc[n+]1C 1P01B5VE [0,2,0,0,0,0|1,0,1]=4 5947 B10R1.4 OCCc1ccccc1Br 1P0033B7 [0,2,0,0,0,0|2,0,0]=4 5948 B10R1.4 OCCc1ccccc1C 1P002BSO [0,2,0,0,0,0|2,0,0]=4 5949 B10R1.4 OCCc1ccccc1Cl 1P002BSP [0,2,0,0,0,0|2,0,0]=4 5950 B10R1.4 OCCc1ccccc1F 1P003HSQ [0,2,0,0,0,0|2,0,0]=4 5951 B10R1.4 OCCc1ccccc1I 1P002S0H [0,2,0,0,0,0|2,0,0]=4 5952 B10R1.4 OCCc1ccccc1N 1P0033L2 [0,2,0,0,0,0|2,0,0]=4 5953 B10R1.4 OCCc1ccccc1N 1P028P0Y [0,2,0,0,0,0|2,0,0]=4 5954 B10R1.4 OCCc1cccnc1Cl 1P01DVQ8 [0,2,0,0,0,0|1,0,0]=3 5955 B10R1.4 OCCc1cccnc1F 1P00B8Q6 [0,2,0,0,0,0|1,0,0]=3 5956 B10R1.4 OCCc1ncccc1Br 1P000LZX [0,2,0,0,0,0|1,0,0]=3 5957 B10R1.4 OCCc1ncccc1C 1P00DDGW [0,2,0,0,0,0|1,0,0]=3 5958 B10R1.4 OCCc1ncccc1F 1P000177 [0,2,0,0,0,0|1,0,0]=3 5959 B10R1.4 OCCn1cnccc1=O 1P01AN4U [0,2,0,0,0,0|2,0,0]=4 5960 B10R1.4 SCCc1ccccc1Cl 1P01EJ97 [0,2,0,0,0,0|2,0,0]=4 5961 B10R1.4 SCCc1ccccc1I 1P0025ZP [0,2,0,0,0,0|2,0,0]=4 5962 B10R1.17 BrCCCc1ccccc1 1P003EL3 [0,2,0,0,0,0|2,0,0]=4 5963 B10R1.17 BrCCCc1cccnc1 1P00C9QQ [0,2,0,0,0,0|1,0,0]=3 5964 B10R1.17 BrCCOc1ccccc1 1P003IB5 [0,2,0,0,0,0|2,0,0]=4 5965 B10R1.17 BrCCOc1cccnc1 1P01AG87 [0,2,0,0,0,0|1,0,0]=3 5966 B10R1.17 BrCCSc1ccccc1 1P003H8K [0,2,0,0,0,0|2,0,0]=4 5967 B10R1.17 BrCOCc1ccccc1 1P0025GN [0,2,0,0,0,0|2,0,0]=4 5968 B10R1.17 C#CCOc1cccnc1 1P006EAU [0,2,0,0,0,0|1,0,1]=4 5969 B10R1.17 C=CCCc1ccccc1 1P003MFS [0,2,0,0,0,0|2,0,0]=4 5970 B10R1.17 C=CCCc1ccccn1 1P002M25 [0,2,0,0,0,0|1,0,0]=3 5971 B10R1.17 C=CCCc1cccnc1 1P00663U [0,2,0,0,0,0|1,0,0]=3 5972 B10R1.17 C=CCOc1cccnc1 1P00AUI6 [0,2,0,0,0,0|1,0,1]=4 5973 B10R1.17 CCC#Cc1ccccc1 1P001WH0 [0,2,0,0,0,0|2,0,0]=4 5974 B10R1.17 CCCCc1ccccc1 1P003P2W [0,2,0,0,0,0|2,0,0]=4 5975 B10R1.17 CCCCc1ccccn1 1P01FFM0 [0,2,0,0,0,0|1,0,0]=3 5976 B10R1.17 CCCCc1cccnc1 1P00343V [0,2,0,0,0,0|1,0,0]=3 5977 B10R1.17 CCCNc1ccccc1 1P003TSL [0,2,0,0,0,0|2,0,0]=4 5978 B10R1.17 CCCNc1cccnc1 1P019YSP [0,2,0,0,0,0|1,0,0]=3 5979 B10R1.17 CCCOc1ccccc1 1P00E98Z [0,2,0,0,0,0|2,0,0]=4 5980 B10R1.17 CCCOc1cccnn1 1P005TEB [0,2,0,0,0,0|2,0,0]=4 5981 B10R1.17 CCCOc1cnccn1 1P01BJJ1 [0,2,0,0,0,0|0,0,0]=2 5982 B10R1.17 CCCSc1ccccn1 1P01EV41 [0,2,0,0,0,0|1,0,0]=3 5983 B10R1.17 CCNCc1ccccc1 1P003TGS [0,2,0,0,0,0|2,0,0]=4 5984 B10R1.17 CCNCc1ccccn1 1P003SQR [0,2,0,0,0,0|1,0,0]=3 5985 B10R1.17 CCNCc1cccnc1 1P003TH6 [0,2,0,0,0,0|1,0,0]=3 5986 B10R1.17 CCSCc1ccccn1 1P007ETZ [0,2,0,0,0,0|1,0,0]=3 5987 B10R1.17 CNC=Nc1cccnc1 1P01EKJS [0,2,0,0,0,0|1,0,1]=4 5988 B10R1.17 CNCCc1ccccc1 1P003TP4 [0,2,0,0,0,0|2,0,0]=4 5989 B10R1.17 CNCCc1ccccc1 1P00CJS7 [0,2,0,0,0,0|2,0,0]=4 5990 B10R1.17 CNCCc1ccccn1 1P003OMV [0,2,0,0,0,0|1,0,0]=3 5991 B10R1.17 CNCCc1ccccn1 1P003TMX [0,2,0,0,0,0|1,0,0]=3 5992 B10R1.17 CNCCc1ccccn1 1P00IAF0 [0,2,0,0,0,0|1,0,0]=3 5993 B10R1.17 CNCCc1cccnc1 1P00025V [0,2,0,0,0,0|1,0,0]=3 5994 B10R1.17 CNCCc1cccnc1 1P0039D0 [0,2,0,0,0,0|1,0,0]=3 5995 B10R1.17 CNCCc1cnccn1 1P01A4OO [0,2,0,0,0,0|0,0,0]=2 5996 B10R1.17 CNCCc1ncccn1 1P01FKV1 [0,2,0,0,0,0|2,0,0]=4 5997 B10R1.17 CNNCc1ccccc1 1P007YMP [0,2,0,0,0,0|2,0,0]=4 5998 B10R1.17 CNNCc1ccccc1 1P01EKFO [0,2,0,0,0,0|2,0,0]=4 5999 B10R1.17 CNNCc1cccnc1 1P00IGF8 [0,2,0,0,0,0|1,0,0]=3 6000 B10R1.17 CNOCc1ccccc1 1P005PAZ [0,2,0,0,0,0|2,0,0]=4 6001 B10R1.17 CNOCc1ccccc1 1P01A29U [0,2,0,0,0,0|2,0,0]=4 6002 B10R1.17 COCCc1ccccc1 1P003C4E [0,2,0,0,0,0|2,0,0]=4 6003 B10R1.17 COCSc1ccccc1 1P0019FA [0,2,0,0,0,0|2,0,0]=4 6004 B10R1.17 CONCc1ccccc1 1P006Y6C [0,2,0,0,0,0|2,0,0]=4 6005 B10R1.17 CONCc1ccccc1 1P01A5XA [0,2,0,0,0,0|2,0,0]=4 6006 B10R1.17 ClCCCc1ccccc1 1P003BI4 [0,2,0,0,0,0|2,0,0]=4 6007 B10R1.17 ClCCCc1ccccn1 1P01A6KY [0,2,0,0,0,0|1,0,0]=3 6008 B10R1.17 ClCCCc1cccnc1 1P002L24 [0,2,0,0,0,0|1,0,0]=3 6009 B10R1.17 ClCCNc1ccccc1 1P01DXCM [0,2,0,0,0,0|2,0,0]=4 6010 B10R1.17 ClCCNc1ccccc1 1P0280C1 [0,2,0,0,0,0|2,0,0]=4 6011 B10R1.17 ClCCOc1ccccc1 1P00IBGC [0,2,0,0,0,0|2,0,0]=4 6012 B10R1.17 ClCCSc1ccccc1 1P003C3J [0,2,0,0,0,0|2,0,0]=4 6013 B10R1.17 ClCOCc1ccccc1 1P0034YY [0,2,0,0,0,0|2,0,0]=4 6014 B10R1.17 ClCSCc1ccccc1 1P003OKP [0,2,0,0,0,0|2,0,0]=4 6015 B10R1.17 ICCCc1ccccc1 1P003EWA [0,2,0,0,0,0|2,0,0]=4 6016 B10R1.17 ICCOc1ccccc1 1P00C6JI [0,2,0,0,0,0|2,0,0]=4 6017 B10R1.17 N#CCCc1ccccc1 1P003KCJ [0,2,0,0,0,0|2,0,0]=4 6018 B10R1.17 N#CCCc1ccccn1 1P00C65K [0,2,0,0,0,0|1,0,0]=3 6019 B10R1.17 N#CCNc1ccccn1 1P009848 [0,2,0,0,0,0|1,0,1]=4 6020 B10R1.17 N#CNCc1cccnc1 1P00AY39 [0,2,0,0,0,0|1,0,1]=4 6021 B10R1.17 NCC#Cc1cccnc1 1P00582X [0,2,0,0,0,0|1,0,1]=4 6022 B10R1.17 NCC#Cc1cccnc1 1P01EN8Z [0,2,0,0,0,0|1,0,1]=4 6023 B10R1.17 NCC=Cc1ccccn1 1P028BLD [0,2,0,0,0,0|1,0,1]=4 6024 B10R1.17 NCC=Cc1cccnc1 1P01BC7Z [0,2,0,0,0,0|1,0,1]=4 6025 B10R1.17 NCCCc1ccccc1 1P0029L7 [0,2,0,0,0,0|2,0,0]=4 6026 B10R1.17 NCCCc1ccccn1 1P001OQL [0,2,0,0,0,0|1,0,0]=3 6027 B10R1.17 NCCCc1ccccn1 1P01DW4S [0,2,0,0,0,0|1,0,0]=3 6028 B10R1.17 NCCCc1cccnc1 1P003IJD [0,2,0,0,0,0|1,0,0]=3 6029 B10R1.17 NCCCc1cccnc1 1P00G3KB [0,2,0,0,0,0|1,0,0]=3 6030 B10R1.17 NCCCc1cccnc1 1P00GW1W [0,2,0,0,0,0|1,0,0]=3 6031 B10R1.17 NCCCc1ccncn1 1P028A28 [0,2,0,0,0,0|2,0,0]=4 6032 B10R1.17 NCCCc1ccnnc1 1P01DZHV [0,2,0,0,0,0|2,0,0]=4 6033 B10R1.17 NCCCc1cnccn1 1P01A20P [0,2,0,0,0,0|0,0,0]=2 6034 B10R1.17 NCCCc1cncnc1 1P0083W7 [0,2,0,0,0,0|2,0,0]=4 6035 B10R1.17 NCCCc1cncnc1 1P01C52M [0,2,0,0,0,0|2,0,0]=4 6036 B10R1.17 NCCCc1nccnc1 1P028JZE [0,2,0,0,0,0|0,0,0]=2 6037 B10R1.17 NCCNc1ccccc1 1P001X6L [0,2,0,0,0,0|2,0,0]=4 6038 B10R1.17 NCCNc1ccccn1 1P005U60 [0,2,0,0,0,0|1,0,0]=3 6039 B10R1.17 NCCNc1cccnc1 1P00EEGU [0,2,0,0,0,0|1,0,0]=3 6040 B10R1.17 NCCNc1cccnn1 1P01AAKT [0,2,0,0,0,0|2,0,0]=4 6041 B10R1.17 NCCNc1cccnn1 1P01EKLI [0,2,0,0,0,0|2,0,0]=4 6042 B10R1.17 NCCNc1cnccn1 1P019MGE [0,2,0,0,0,0|0,0,0]=2 6043 B10R1.17 NCCNc1ncccn1 1P00141N [0,2,0,0,0,0|2,0,0]=4 6044 B10R1.17 NCCNc1ncccn1 1P01B2V0 [0,2,0,0,0,0|2,0,0]=4 6045 B10R1.17 NCCOc1ccccc1 1P0021OC [0,2,0,0,0,0|2,0,0]=4 6046 B10R1.17 NCCOc1ccccc1 1P0027L1 [0,2,0,0,0,0|2,0,0]=4 6047 B10R1.17 NCCOc1ccccn1 1P002YW0 [0,2,0,0,0,0|1,0,0]=3 6048 B10R1.17 NCCOc1ccccn1 1P027ZNS [0,2,0,0,0,0|1,0,0]=3 6049 B10R1.17 NCCOc1cccnc1 1P0032JP [0,2,0,0,0,0|1,0,0]=3 6050 B10R1.17 NCCOc1ncccn1 1P024VFV [0,2,0,0,0,0|2,0,0]=4 6051 B10R1.17 NCCSc1ccccc1 1P002DUS [0,2,0,0,0,0|2,0,0]=4 6052 B10R1.17 NCCSc1ccccc1 1P00J3FE [0,2,0,0,0,0|2,0,0]=4 6053 B10R1.17 NCCSc1ccccn1 1P00J1LL [0,2,0,0,0,0|1,0,0]=3 6054 B10R1.17 NCCSc1ncccn1 1P028BWD [0,2,0,0,0,0|2,0,0]=4 6055 B10R1.17 NNCCc1ccccc1 1P001OVR [0,2,0,0,0,0|2,0,0]=4 6056 B10R1.17 NNCCc1ccccc1 1P00B63Y [0,2,0,0,0,0|2,0,0]=4 6057 B10R1.17 NNCCc1ccccc1 1P00DB0J [0,2,0,0,0,0|2,0,0]=4 6058 B10R1.17 NNCCc1ccccc1 1P00I9LM [0,2,0,0,0,0|2,0,0]=4 6059 B10R1.17 NNCCc1ccccn1 1P006VW3 [0,2,0,0,0,0|1,0,0]=3 6060 B10R1.17 NNCCc1ccccn1 1P01A12H [0,2,0,0,0,0|1,0,0]=3 6061 B10R1.17 NOCCc1ccccc1 1P0071ZN [0,2,0,0,0,0|2,0,0]=4 6062 B10R1.17 O=CCCc1ccccc1 1P003RFA [0,2,0,0,0,0|2,0,0]=4 6063 B10R1.17 O=CCCc1ccccn1 1P00BGWO [0,2,0,0,0,0|1,0,0]=3 6064 B10R1.17 O=CCCc1cccnc1 1P00228Y [0,2,0,0,0,0|1,0,0]=3 6065 B10R1.17 O=CCOc1ccccn1 1P01C7JG [0,2,0,0,0,0|1,0,1]=4 6066 B10R1.17 O=NCNc1cccnc1 1P005VML [0,2,0,0,0,0|2,0,0]=4 6067 B10R1.17 OCC#Cc1ccccn1 1P007KST [0,2,0,0,0,0|1,0,1]=4 6068 B10R1.17 OCC#Cc1cccnc1 1P00F544 [0,2,0,0,0,0|1,0,1]=4 6069 B10R1.17 OCC#Cc1cnccn1 1P01EN9I [0,2,0,0,0,0|0,0,1]=3 6070 B10R1.17 OCC=Cc1ccccn1 1P000ZYV [0,2,0,0,0,0|1,0,1]=4 6071 B10R1.17 OCCCC1=CCC=CC1 1P00H25B [0,2,0,0,0,0|2,0,0]=4 6072 B10R1.17 OCCCc1ccccc1 1P00170B [0,2,0,0,0,0|2,0,0]=4 6073 B10R1.17 OCCCc1ccccn1 1P002W8D [0,2,0,0,0,0|1,0,0]=3 6074 B10R1.17 OCCCc1ccccn1 1P003II3 [0,2,0,0,0,0|1,0,0]=3 6075 B10R1.17 OCCCc1cccnc1 1P002W8E [0,2,0,0,0,0|1,0,0]=3 6076 B10R1.17 OCCCc1ccncn1 1P007B3A [0,2,0,0,0,0|2,0,0]=4 6077 B10R1.17 OCCNc1ccccc1 1P00170A [0,2,0,0,0,0|2,0,0]=4 6078 B10R1.17 OCCNc1ccccn1 1P00GWAF [0,2,0,0,0,0|1,0,0]=3 6079 B10R1.17 OCCNc1ccccn1 1P01F2SN [0,2,0,0,0,0|1,0,0]=3 6080 B10R1.17 OCCNc1cccnc1 1P028RNR [0,2,0,0,0,0|1,0,0]=3 6081 B10R1.17 OCCNc1cccnn1 1P019UHH [0,2,0,0,0,0|2,0,0]=4 6082 B10R1.17 OCCNc1ccncn1 1P00AZKO [0,2,0,0,0,0|2,0,0]=4 6083 B10R1.17 OCCNc1cnccn1 1P01BUDW [0,2,0,0,0,0|0,0,0]=2 6084 B10R1.17 OCCNc1ncccn1 1P00AZOO [0,2,0,0,0,0|2,0,0]=4 6085 B10R1.17 OCCOc1ccccc1 1P0033W0 [0,2,0,0,0,0|2,0,0]=4 6086 B10R1.17 OCCOc1cccnc1 1P000QDL [0,2,0,0,0,0|1,0,0]=3 6087 B10R1.17 OCCSc1ccccc1 1P003FKS [0,2,0,0,0,0|2,0,0]=4 6088 B10R1.17 OCCSc1ccccn1 1P008PC7 [0,2,0,0,0,0|1,0,0]=3 6089 B10R1.17 OCCSc1ncccn1 1P01B5F9 [0,2,0,0,0,0|2,0,0]=4 6090 B10R1.17 OC\C=C\c1cccnc1 1P009991 [0,2,0,0,0,0|1,0,1]=4 6091 B10R1.17 ONCCc1ccccc1 1P00CZ3B [0,2,0,0,0,0|2,0,0]=4 6092 B10R1.17 S=C=NCc1cccnc1 1P0078DV [0,2,0,0,0,0|1,0,1]=4 6093 B10R1.17 SCCCc1ccccc1 1P002PQQ [0,2,0,0,0,0|2,0,0]=4 6094 B10R1.17 SCCOc1ccccc1 1P0037FU [0,2,0,0,0,0|2,0,0]=4 6095 B10R1.17 SCCSc1ccccc1 1P00ALQK [0,2,0,0,0,0|2,0,0]=4 6096 B10R1.17 [C-]#[N+]CCc1ccccc1 1P00EA9F [0,2,0,0,0,0|2,0,0]=4 6097 B10R1.17 [N-]=[N+]=NCc1ccccn1 1P00EEUA [0,2,0,0,0,0|2,0,0]=4 6098 B10R1.17 [N-]=[N+]=NCc1cccnc1 1P00GWBS [0,2,0,0,0,0|2,0,0]=4 6099 B10R1.18 CC(=C)Cc1ccccc1 1P003I3I [0,2,0,0,0,0|2,0,0]=4 6100 B10R1.18 CC(=O)Cc1ccccn1 1P003A4L [0,2,0,0,0,0|1,0,0]=3 6101 B10R1.18 CC(=O)Cc1cccnc1 1P00EAER [0,2,0,0,0,0|1,0,0]=3 6102 B10R1.18 CC(=O)Cc1cccnc1 1P00FGXO [0,2,0,0,0,0|1,0,0]=3 6103 B10R1.18 CC(=O)Cc1cnccn1 1P005PPF [0,2,0,0,0,0|0,0,0]=2 6104 B10R1.18 CC(=O)Nc1ccccn1 1P003GRA [0,2,0,0,0,0|1,0,1]=4 6105 B10R1.18 CC(=O)Nc1cccnc1 1P003J9F [0,2,0,0,0,0|1,0,1]=4 6106 B10R1.18 CC(=O)Oc1cccnc1 1P0025SK [0,2,0,0,0,0|1,0,1]=4 6107 B10R1.18 CC(Cc1ccccc1)Br 1P002LSK [0,2,0,0,0,0|2,0,0]=4 6108 B10R1.18 CC(Cc1ccccc1)C 1P003RJR [0,2,0,0,0,0|2,0,0]=4 6109 B10R1.18 CC(Cc1ccccc1)O 1P001LSG [0,2,0,0,0,0|2,0,0]=4 6110 B10R1.18 CC(Cc1ccccn1)C 1P003HXW [0,2,0,0,0,0|1,0,0]=3 6111 B10R1.18 CC(Cc1ccccn1)N 1P00D8U4 [0,2,0,0,0,0|1,0,0]=3 6112 B10R1.18 CC(Cc1ccccn1)O 1P00DNBN [0,2,0,0,0,0|1,0,0]=3 6113 B10R1.18 CC(Cc1cccnc1)C 1P001H4I [0,2,0,0,0,0|1,0,0]=3 6114 B10R1.18 CC(Cc1cccnc1)N 1P005KG1 [0,2,0,0,0,0|1,0,0]=3 6115 B10R1.18 CC(Cc1cccnc1)O 1P01A55E [0,2,0,0,0,0|1,0,0]=3 6116 B10R1.18 CC(Cc1cnccn1)N 1P0089WO [0,2,0,0,0,0|0,0,0]=2 6117 B10R1.18 CC(Cc1cnccn1)O 1P00JD7T [0,2,0,0,0,0|0,0,0]=2 6118 B10R1.18 CC(Nc1ccccc1)C 1P003TLE [0,2,0,0,0,0|2,0,0]=4 6119 B10R1.18 CC(Nc1ccccn1)C 1P001O3W [0,2,0,0,0,0|1,0,0]=3 6120 B10R1.18 CC(Nc1cccnc1)C 1P00CMF9 [0,2,0,0,0,0|1,0,0]=3 6121 B10R1.18 CC(Nc1cccnn1)C 1P00A0MP [0,2,0,0,0,0|2,0,0]=4 6122 B10R1.18 CC(Nc1ncccn1)C 1P007434 [0,2,0,0,0,0|2,0,0]=4 6123 B10R1.18 CC(Oc1ccccc1)C 1P00I5NQ [0,2,0,0,0,0|2,0,0]=4 6124 B10R1.18 CC(Oc1ccccn1)C 1P001W03 [0,2,0,0,0,0|1,0,0]=3 6125 B10R1.18 CC(Oc1cccnc1)C 1P004EQ5 [0,2,0,0,0,0|1,0,0]=3 6126 B10R1.18 CN(Cc1[c-]cccc1)C 1P003Q4B [0,2,0,0,0,0|2,0,0]=4 6127 B10R1.18 CN(Cc1ccccc1)C 1P003T1M [0,2,0,0,0,0|2,0,0]=4 6128 B10R1.18 CN(Cc1ccccc1)O 1P0287XD [0,2,0,0,0,0|2,0,0]=4 6129 B10R1.18 CN(Cc1ccccn1)C 1P01DWWA [0,2,0,0,0,0|1,0,0]=3 6130 B10R1.18 CN(Cc1ccccn1)C 1P028WOR [0,2,0,0,0,0|1,0,0]=3 6131 B10R1.18 CN(Cc1cccnc1)C 1P002ALG [0,2,0,0,0,0|1,0,0]=3 6132 B10R1.18 CP(Cc1ccccc1)C 1P001BOC [0,2,0,0,0,0|2,0,0]=4 6133 B10R1.18 C[C@@H](Cc1ccccc1)O 1P003UMM [0,2,0,0,0,0|2,0,0]=4 6134 B10R1.18 C[C@H](Cc1ccccc1)O 1P001PQQ [0,2,0,0,0,0|2,0,0]=4 6135 B10R1.18 C[SiH](Cc1ccccc1)C 1P001U89 [0,2,0,0,0,0|2,0,0]=4 6136 B10R1.18 FC(Oc1cccnc1)F 1P019XOW [0,2,0,0,0,0|2,0,0]=4 6137 B10R1.18 NC(=N)Cc1ccccn1 1P00914U [0,2,0,0,0,0|1,0,1]=4 6138 B10R1.18 NC(=N)Cc1cccnc1 1P00J2G5 [0,2,0,0,0,0|1,0,1]=4 6139 B10R1.18 NC(=O)Cc1ccccn1 1P003UJ1 [0,2,0,0,0,0|1,0,1]=4 6140 B10R1.18 NC(=O)Cc1cccnc1 1P003FL2 [0,2,0,0,0,0|1,0,1]=4 6141 B10R1.18 NC(=O)Nc1cnccn1 1P00IEKK [0,2,0,0,0,0|1,0,1]=4 6142 B10R1.18 NC(=S)Cc1ccccn1 1P002TKX [0,2,0,0,0,0|1,0,1]=4 6143 B10R1.18 NC(=S)Cc1cccnc1 1P00DJ97 [0,2,0,0,0,0|1,0,1]=4 6144 B10R1.18 NC(=S)Nc1cnccn1 1P007JW2 [0,2,0,0,0,0|1,0,1]=4 6145 B10R1.18 OC(=O)Cc1ccccn1 1P001WD0 [0,2,0,0,0,0|1,0,1]=4 6146 B10R1.18 OC(=O)Cc1cccnc1 1P00348U [0,2,0,0,0,0|1,0,1]=4 6147 B10R1.18 OC(=O)Cc1cccnc1 1P00I9F0 [0,2,0,0,0,0|1,0,1]=4 6148 B10R1.18 OC(=O)Cc1cnccn1 1P001DGI [0,2,0,0,0,0|0,0,1]=3 6149 B10R1.18 [O-]C(=O)Cc1cnccn1 1P01B83X [0,2,0,0,0,0|0,0,1]=3 6150 B10R1.20 BrCc1ccccc1CC 1P01AVGD [0,2,0,0,0,0|2,0,0]=4 6151 B10R1.20 BrCc1cccnc1C#N 1P000DX2 [0,2,0,0,0,0|2,0,0]=4 6152 B10R1.20 BrCc1cnccc1CBr 1P01B8RS [0,2,0,0,0,0|2,0,0]=4 6153 B10R1.20 BrCc1ncccc1C#N 1P000DX3 [0,2,0,0,0,0|2,0,0]=4 6154 B10R1.20 C#Cc1ccccc1CC 1P008Q2Z [0,2,0,0,0,0|2,0,0]=4 6155 B10R1.20 C#Cc1nccnc1OC 1P009GA8 [0,2,0,0,0,0|1,0,0]=3 6156 B10R1.20 CCc1ccccc1C=C 1P006EB5 [0,2,0,0,0,0|2,0,0]=4 6157 B10R1.20 CCc1ccccc1CC 1P003DUZ [0,2,0,0,0,0|2,0,0]=4 6158 B10R1.20 CCc1ccccc1CC 1P003PYH [0,2,0,0,0,0|2,0,0]=4 6159 B10R1.20 CCc1cccnc1C#N 1P00EGLP [0,2,0,0,0,0|1,0,0]=3 6160 B10R1.20 CCc1cccnc1C=O 1P028QR1 [0,2,0,0,0,0|1,0,0]=3 6161 B10R1.20 CCc1cccnc1CCl 1P02893D [0,2,0,0,0,0|1,0,0]=3 6162 B10R1.20 CCc1cccnc1CN 1P01A3Z1 [0,2,0,0,0,0|1,0,0]=3 6163 B10R1.20 CCc1cnccc1C#N 1P007396 [0,2,0,0,0,0|1,0,0]=3 6164 B10R1.20 CCc1cnccc1C=O 1P02840G [0,2,0,0,0,0|1,0,0]=3 6165 B10R1.20 CCc1cnccc1CN 1P01A2BA [0,2,0,0,0,0|1,0,0]=3 6166 B10R1.20 CCc1ncccc1C=O 1P00KEMW [0,2,0,0,0,0|1,0,0]=3 6167 B10R1.20 CCc1ncccc1CCl 1P028R6K [0,2,0,0,0,0|1,0,0]=3 6168 B10R1.20 CCc1ncccc1CO 1P01B7OZ [0,2,0,0,0,0|1,0,0]=3 6169 B10R1.20 CCc1nccnc1CC 1P001PNP [0,2,0,0,0,0|0,0,0]=2 6170 B10R1.20 CNc1ccccc1CC 1P0023UP [0,2,0,0,0,0|2,0,0]=4 6171 B10R1.20 CNc1cccnc1C#N 1P01BGBT [0,2,0,0,0,0|2,0,0]=4 6172 B10R1.20 CNc1cccnc1CN 1P01BGGE [0,2,0,0,0,0|2,0,0]=4 6173 B10R1.20 CNc1cccnc1OC 1P01AKCY [0,2,0,0,0,0|2,0,0]=4 6174 B10R1.20 CNc1cnccc1OC 1P0281R1 [0,2,0,0,0,0|2,0,0]=4 6175 B10R1.20 CNc1ncccc1C#N 1P00DAUM [0,2,0,0,0,0|2,0,0]=4 6176 B10R1.20 CNc1ncccc1C=O 1P00383H [0,2,0,0,0,0|2,0,0]=4 6177 B10R1.20 CNc1ncccc1C=O 1P00J1KK [0,2,0,0,0,0|2,0,0]=4 6178 B10R1.20 CNc1ncccc1CN 1P009464 [0,2,0,0,0,0|2,0,0]=4 6179 B10R1.20 CNc1ncccc1CN 1P028GWW [0,2,0,0,0,0|2,0,0]=4 6180 B10R1.20 CNc1ncccc1CO 1P00BXVP [0,2,0,0,0,0|2,0,0]=4 6181 B10R1.20 CNc1ncccc1OC 1P00GSOH [0,2,0,0,0,0|2,0,0]=4 6182 B10R1.20 COc1ccccc1CC 1P001FV1 [0,2,0,0,0,0|2,0,0]=4 6183 B10R1.20 COc1cccnc1C#C 1P000OUK [0,2,0,0,0,0|2,0,0]=4 6184 B10R1.20 COc1cccnc1C#N 1P006XW2 [0,2,0,0,0,0|2,0,0]=4 6185 B10R1.20 COc1cccnc1C=O 1P00757W [0,2,0,0,0,0|2,0,0]=4 6186 B10R1.20 COc1cccnc1CBr 1P00H1GU [0,2,0,0,0,0|2,0,0]=4 6187 B10R1.20 COc1cccnc1CCl 1P00J2PV [0,2,0,0,0,0|2,0,0]=4 6188 B10R1.20 COc1cccnc1CN 1P001RDF [0,2,0,0,0,0|2,0,0]=4 6189 B10R1.20 COc1cccnc1CN 1P00IB19 [0,2,0,0,0,0|2,0,0]=4 6190 B10R1.20 COc1cccnc1CO 1P00DG0S [0,2,0,0,0,0|2,0,0]=4 6191 B10R1.20 COc1cccnc1NN 1P002LJX [0,2,0,0,0,0|2,0,0]=4 6192 B10R1.20 COc1ccncc1CBr 1P001BY7 [0,2,0,0,0,0|2,0,0]=4 6193 B10R1.20 COc1ccncc1CCl 1P01BBV2 [0,2,0,0,0,0|2,0,0]=4 6194 B10R1.20 COc1ccncc1CN 1P0095OT [0,2,0,0,0,0|2,0,0]=4 6195 B10R1.20 COc1ccncc1CO 1P0096YQ [0,2,0,0,0,0|2,0,0]=4 6196 B10R1.20 COc1cnccc1C#N 1P018HTC [0,2,0,0,0,0|2,0,0]=4 6197 B10R1.20 COc1cnccc1C=O 1P00AP8F [0,2,0,0,0,0|2,0,0]=4 6198 B10R1.20 COc1cnccc1CCl 1P01K2BY [0,2,0,0,0,0|2,0,0]=4 6199 B10R1.20 COc1cnccc1CN 1P00I1X7 [0,2,0,0,0,0|2,0,0]=4 6200 B10R1.20 COc1cnccc1CN 1P00IGUI [0,2,0,0,0,0|2,0,0]=4 6201 B10R1.20 COc1cnccc1CN 1P01BHZL [0,2,0,0,0,0|2,0,0]=4 6202 B10R1.20 COc1cnccc1CO 1P00071R [0,2,0,0,0,0|2,0,0]=4 6203 B10R1.20 COc1cnccc1OC 1P008ZJJ [0,2,0,0,0,0|2,0,0]=4 6204 B10R1.20 COc1ncccc1C#C 1P009A5K [0,2,0,0,0,0|2,0,0]=4 6205 B10R1.20 COc1ncccc1C#N 1P0064SE [0,2,0,0,0,0|2,0,0]=4 6206 B10R1.20 COc1ncccc1C=O 1P006AHW [0,2,0,0,0,0|2,0,0]=4 6207 B10R1.20 COc1ncccc1CBr 1P003INQ [0,2,0,0,0,0|2,0,0]=4 6208 B10R1.20 COc1ncccc1CCl 1P001T4O [0,2,0,0,0,0|2,0,0]=4 6209 B10R1.20 COc1ncccc1CCl 1P007R59 [0,2,0,0,0,0|2,0,0]=4 6210 B10R1.20 COc1ncccc1CN 1P000HEH [0,2,0,0,0,0|2,0,0]=4 6211 B10R1.20 COc1ncccc1CN 1P00CJ84 [0,2,0,0,0,0|2,0,0]=4 6212 B10R1.20 COc1ncccc1CO 1P0083MJ [0,2,0,0,0,0|2,0,0]=4 6213 B10R1.20 COc1ncccc1NN 1P01FSJY [0,2,0,0,0,0|2,0,0]=4 6214 B10R1.20 COc1ncccc1NN 1P028FD1 [0,2,0,0,0,0|2,0,0]=4 6215 B10R1.20 COc1ncccc1OC 1P00I9VK [0,2,0,0,0,0|2,0,0]=4 6216 B10R1.20 COc1nccnc1CC 1P007MTD [0,2,0,0,0,0|0,0,0]=2 6217 B10R1.20 COc1nccnc1CCl 1P00HGER [0,2,0,0,0,0|1,0,0]=3 6218 B10R1.20 COc1nccnc1CO 1P01DEB9 [0,2,0,0,0,0|1,0,0]=3 6219 B10R1.20 COc1nccnc1NN 1P002LJV [0,2,0,0,0,0|1,0,0]=3 6220 B10R1.20 COc1nccnc1OC 1P00G0K5 [0,2,0,0,0,0|1,0,0]=3 6221 B10R1.20 CSc1ccccc1CC 1P002JMX [0,2,0,0,0,0|2,0,0]=4 6222 B10R1.20 CSc1cccnc1C#N 1P00D4TM [0,2,0,0,0,0|2,0,0]=4 6223 B10R1.20 CSc1ccncc1CN 1P028XIE [0,2,0,0,0,0|2,0,0]=4 6224 B10R1.20 CSc1nccnc1CC 1P003HNN [0,2,0,0,0,0|0,0,0]=2 6225 B10R1.20 ClCc1ncccc1C#N 1P008GHG [0,2,0,0,0,0|2,0,0]=4 6226 B10R1.20 ClCc1ncccc1CCl 1P00BFQX [0,2,0,0,0,0|2,0,0]=4 6227 B10R1.20 N#Cc1ccccc1CC 1P003HO6 [0,2,0,0,0,0|2,0,0]=4 6228 B10R1.20 N#Cc1nccnc1C#N 1P003UIH [0,2,0,0,0,0|1,0,1]=4 6229 B10R1.20 N#Cc1nccnc1NC 1P01AVFQ [0,2,0,0,0,0|1,0,0]=3 6230 B10R1.20 N#Cc1nccnc1SC 1P01B28M [0,2,0,0,0,0|1,0,0]=3 6231 B10R1.20 NCc1ccccc1CC 1P01AKSC [0,2,0,0,0,0|2,0,0]=4 6232 B10R1.20 NCc1ncccc1CO 1P01FPDD [0,2,0,0,0,0|2,0,0]=4 6233 B10R1.20 NCc1nccnc1CC 1P028WL2 [0,2,0,0,0,0|0,0,0]=2 6234 B10R1.20 NNc1ccccc1CC 1P0032QD [0,2,0,0,0,0|2,0,0]=4 6235 B10R1.20 O=Cc1ccccc1CC 1P002LZX [0,2,0,0,0,0|2,0,0]=4 6236 B10R1.20 O=Cc1nccnc1OC 1P00EDQW [0,2,0,0,0,0|1,0,0]=3 6237 B10R1.20 OCc1ccccc1CC 1P003C3Q [0,2,0,0,0,0|2,0,0]=4 6238 B10R1.20 OCc1cccnc1C#C 1P00I1UB [0,2,0,0,0,0|2,0,0]=4 6239 B10R1.20 OCc1cccnc1C#N 1P001052 [0,2,0,0,0,0|2,0,0]=4 6240 B10R1.20 OCc1cnccc1CO 1P00CLWD [0,2,0,0,0,0|2,0,0]=4 6241 B10R1.20 OCc1cnccc1CO 1P00IA13 [0,2,0,0,0,0|2,0,0]=4 6242 B10R1.20 OCc1ncccc1CO 1P00736Q [0,2,0,0,0,0|2,0,0]=4 6243 B10R1.20 OCc1ncccc1CO 1P00CI5W [0,2,0,0,0,0|2,0,0]=4 6244 B10R1.20 [C-]#[N+]c1ccccc1CC 1P00EOB9 [0,2,0,0,0,0|2,0,0]=4 6245 B10R1.245 BrCc1c(C)ccnc1C 1P028YP9 [0,2,0,0,0,0|2,0,0]=4 6246 B10R1.245 BrCc1c(Cl)ccnc1Br 1P028DLF [0,2,0,0,0,0|2,0,0]=4 6247 B10R1.245 BrCc1c(Cl)ccnc1Cl 1P00IISO [0,2,0,0,0,0|2,0,0]=4 6248 B10R1.245 BrCc1c(Cl)ccnc1F 1P028VJ3 [0,2,0,0,0,0|2,0,0]=4 6249 B10R1.245 CCc1c(C)cccc1N 1P01BJ4P [0,2,0,0,0,0|2,0,0]=4 6250 B10R1.245 CCc1c(C)ncnc1C 1P0283BI [0,2,0,0,0,0|2,0,0]=4 6251 B10R1.245 CCc1c(C)ncnc1N 1P0292WO [0,2,0,0,0,0|2,0,0]=4 6252 B10R1.245 CCc1c(Cl)cccc1I 1P0282U6 [0,2,0,0,0,0|2,0,0]=4 6253 B10R1.245 CCc1c(Cl)ncnc1Cl 1P00J32L [0,2,0,0,0,0|2,0,0]=4 6254 B10R1.245 CCc1c(F)cccc1Br 1P01BZBX [0,2,0,0,0,0|2,0,0]=4 6255 B10R1.245 CCc1c(O)cccc1Cl 1P028XUE [0,2,0,0,0,0|2,0,0]=4 6256 B10R1.245 CCc1c(O)cccc1F 1P0287Y4 [0,2,0,0,0,0|2,0,0]=4 6257 B10R1.245 CCc1c(O)ccnc1N 1P028FOS [0,2,0,0,0,0|1,0,0]=3 6258 B10R1.245 CNc1c(C)ccnc1Cl 1P021WLP [0,2,0,0,0,0|2,0,0]=4 6259 B10R1.245 CNc1c(N)ccnc1Cl 1P01DWFU [0,2,0,0,0,0|2,0,0]=4 6260 B10R1.245 COc1c(Br)ccnc1C 1P000JU1 [0,2,0,0,0,0|2,0,0]=4 6261 B10R1.245 COc1c(Br)ccnc1Cl 1P01B9IY [0,2,0,0,0,0|2,0,0]=4 6262 B10R1.245 COc1c(Br)ccnc1F 1P01BKV2 [0,2,0,0,0,0|2,0,0]=4 6263 B10R1.245 COc1c(Br)ccnc1N 1P01C86R [0,2,0,0,0,0|2,0,0]=4 6264 B10R1.245 COc1c(Cl)ccnc1C 1P007EX9 [0,2,0,0,0,0|2,0,0]=4 6265 B10R1.245 COc1c(Cl)ccnc1Cl 1P00J3B2 [0,2,0,0,0,0|2,0,0]=4 6266 B10R1.245 COc1c(Cl)ccnc1N 1P00A1Z1 [0,2,0,0,0,0|2,0,0]=4 6267 B10R1.245 COc1c(Cl)ccnc1O 1P01A4KO [0,2,0,0,0,0|2,0,0]=4 6268 B10R1.245 COc1c(F)ccnc1Br 1P020MM8 [0,2,0,0,0,0|2,0,0]=4 6269 B10R1.245 COc1c(F)ccnc1N 1P00ANOL [0,2,0,0,0,0|2,0,0]=4 6270 B10R1.245 COc1c(N)ccnc1C 1P00J3CX [0,2,0,0,0,0|2,0,0]=4 6271 B10R1.245 COc1c(N)ccnc1Cl 1P000JUJ [0,2,0,0,0,0|2,0,0]=4 6272 B10R1.245 COc1c(N)ccnc1F 1P01EIL5 [0,2,0,0,0,0|2,0,0]=4 6273 B10R1.245 COc1c(O)ccnc1F 1P01DL3Z [0,2,0,0,0,0|2,0,0]=4 6274 B10R1.245 ClCc1c(C)ccnc1C 1P002JZC [0,2,0,0,0,0|2,0,0]=4 6275 B10R1.245 NCc1c(C)ccnc1C 1P028BZB [0,2,0,0,0,0|2,0,0]=4 6276 B10R1.245 NCc1c(Cl)ccnc1Br 1P027TYW [0,2,0,0,0,0|2,0,0]=4 6277 B10R1.245 OCc1c(Br)ccnc1Br 1P01K1CM [0,2,0,0,0,0|2,0,0]=4 6278 B10R1.245 OCc1c(Br)ccnc1Cl 1P00JZTF [0,2,0,0,0,0|2,0,0]=4 6279 B10R1.245 OCc1c(C)ccnc1C 1P00ACC3 [0,2,0,0,0,0|2,0,0]=4 6280 B10R1.245 OCc1c(C)ccnc1N 1P0027KJ [0,2,0,0,0,0|2,0,0]=4 6281 B10R1.245 OCc1c(Cl)ccnc1Br 1P027VQ3 [0,2,0,0,0,0|2,0,0]=4 6282 B10R1.245 OCc1c(Cl)ccnc1Cl 1P01F00D [0,2,0,0,0,0|2,0,0]=4 6283 B10R1.245 OCc1c(Cl)ccnc1F 1P0291RG [0,2,0,0,0,0|2,0,0]=4 6284 B10R1.245 OCc1c(I)ccnc1Cl 1P003C3B [0,2,0,0,0,0|2,0,0]=4 6285 B10R1.245 OCc1c(I)ccnc1F 1P00786J [0,2,0,0,0,0|2,0,0]=4 6286 B8R2.25 c1ccc2c(c1)C2 1P00E0DR [1,0,0,1,0,0|2,0,0]=4 6287 B8R2.55 C1=CC2(C=C1)CC2 1P003UVQ [0,0,0,1,1,0|1,0,1]=4 6288 B10R2.31 Brc1ccc2c(c1)CC2 1P0034EZ [0,1,0,1,0,0|2,0,0]=4 6289 B10R2.6 C1CC1c2ccccc2 1P008EMK [0,1,0,1,0,0|2,0,0]=4 6290 B10R2.6 N1CC1c2ccccc2 1P001MKW [0,1,0,1,0,0|2,0,0]=4 6291 B10R2.6 O1CC1c2ccccc2 1P003632 [0,1,0,1,0,0|2,0,0]=4 6292 B10R2.6 O1C[C@@H]1c2ccccc2 1P002JRH [0,1,0,1,0,0|2,0,0]=4 6293 B10R2.6 O1C[C@H]1c2ccccc2 1P002JRI [0,1,0,1,0,0|2,0,0]=4 6294 B10R2.6 c1ccc(cn1)C2CC2 1P002HZK [0,1,0,1,0,0|1,0,0]=3 6295 B10R2.6 c1ccc(cn1)C2CO2 1P00ELQC [0,1,0,1,0,0|1,0,0]=3 6296 B10R2.6 c1ccc(nc1)C2CO2 1P018SFL [0,1,0,1,0,0|1,0,0]=3 6297 B10R2.320 BrC1Cc2c1cccc2 1P002LO8 [0,1,0,1,0,0|2,0,0]=4 6298 B10R2.320 NC1Cc2c1cccc2 1P002M98 [0,1,0,1,0,0|2,0,0]=4 6299 B10R2.320 OC1Cc2c1cccc2 1P00CLUH [0,1,0,1,0,0|2,0,0]=4 6300 B10R2.7 C1Cc2c(C1)cccc2 1P0037N7 [0,1,0,1,0,0|2,0,0]=4 6301 B10R2.7 C1Cc2c(N1)ccnc2 1P002OA9 [0,1,0,1,0,0|1,0,0]=3 6302 B10R2.7 C1Cc2c(N1)ccnc2 1P00EKG2 [0,1,0,1,0,0|1,0,0]=3 6303 B10R2.7 C1Cc2c(N1)cncc2 1P00338T [0,1,0,1,0,0|1,0,0]=3 6304 B10R2.7 C1Cc2c(N1)cncc2 1P009I2T [0,1,0,1,0,0|1,0,0]=3 6305 B10R2.7 C1Cc2c(N1)cncc2 1P00HZ3J [0,1,0,1,0,0|1,0,0]=3 6306 B10R2.7 C1Cc2c(N1)nccc2 1P003FZJ [0,1,0,1,0,0|1,0,0]=3 6307 B10R2.7 C1Cc2c(N1)ncnc2 1P01BY0P [0,1,0,1,0,0|2,0,0]=4 6308 B10R2.7 C1Cc2c(N1)nncc2 1P027VME [0,1,0,1,0,0|2,0,0]=4 6309 B10R2.7 C1Nc2c(C1)nccc2 1P009I2U [0,1,0,1,0,0|1,0,0]=3 6310 B10R2.7 C1Nc2c(C1)nccc2 1P00AO2E [0,1,0,1,0,0|1,0,0]=3 6311 B10R2.7 C1Nc2c(C1)nncc2 1P01AV5F [0,1,0,1,0,0|2,0,0]=4 6312 B10R2.7 C1Nc2c(C1)nncc2 1P01AV5G [0,1,0,1,0,0|2,0,0]=4 6313 B10R2.7 N1Cc2c(C1)cccc2 1P00399N [0,1,0,1,0,0|2,0,0]=4 6314 B10R2.7 N1Cc2c(C1)cccc2 1P003RKJ [0,1,0,1,0,0|2,0,0]=4 6315 B10R2.7 O1Cc2c(C1)cccc2 1P003E0J [0,1,0,1,0,0|2,0,0]=4 6316 B10R2.7 S1Cc2c(C1)cccc2 1P002PM4 [0,1,0,1,0,0|2,0,0]=4 6317 B10R2.7 c1ccc2c(c1)OCC2 1P0033EK [0,1,0,1,0,0|2,0,0]=4 6318 B10R2.7 c1cnc2c(c1)CCC2 1P003FX5 [0,1,0,1,0,0|1,0,0]=3 6319 B10R2.7 c1cnc2c(c1)CNC2 1P001FM0 [0,1,0,1,0,0|1,0,0]=3 6320 B10R2.7 c1cnc2c(c1)CNC2 1P001FM2 [0,1,0,1,0,0|1,0,0]=3 6321 B10R2.7 c1cnc2c(c1)CNC2 1P00EL6Y [0,1,0,1,0,0|1,0,0]=3 6322 B10R2.7 c1cnc2c(c1)OCO2 1P005KA4 [0,1,0,1,0,0|2,0,0]=4 6323 B10R2.7 c1cnc2c(n1)NCC2 1P01XAC3 [0,1,0,1,0,0|0,0,0]=2 6324 B10R2.7 c1cnc2c(n1)[nH]cc2 1P00396J [0,1,0,1,0,0|0,0,2]=4 6325 B10R2.7 c1cnc2c(n1)[nH]cn2 1P00BFFZ [0,1,0,1,0,0|1,0,1]=4 6326 B10R2.7 c1cnc2c(n1)[nH]nc2 1P007LSE [0,1,0,1,0,0|1,0,1]=4 6327 B10R2.7 c1cnc2c(n1)csc2 1P007M3P [0,1,0,1,0,0|0,0,2]=4 6328 B10R2.7 c1cnc2c(n1)scc2 1P00DIC9 [0,1,0,1,0,0|0,0,2]=4 6329 B10R2.7 c1cnc2c(n1)scn2 1P01G8S8 [0,1,0,1,0,0|1,0,1]=4 6330 B10R2.7 c1ncc2c(c1)CCC2 1P00DL6X [0,1,0,1,0,0|1,0,0]=3 6331 B10R2.7 c1ncc2c(c1)CNC2 1P0033EI [0,1,0,1,0,0|1,0,0]=3 6332 B10R2.7 c1ncc2c(c1)CNC2 1P00EA58 [0,1,0,1,0,0|1,0,0]=3 6333 B10R2.7 c1ncc2c(c1)COC2 1P01FT1J [0,1,0,1,0,0|1,0,0]=3 6334 B10R2.7 n1cnc2c(c1)CNC2 1P001PU3 [0,1,0,1,0,0|2,0,0]=4 6335 B10R2.7 n1cnc2c(c1)CNC2 1P003NHP [0,1,0,1,0,0|2,0,0]=4 6336 B10R2.7 n1cnc2c(c1)CNC2 1P008UZJ [0,1,0,1,0,0|2,0,0]=4 6337 B6R1.2 Brc1c[nH]nc1 1P002JKA [1,0,0,0,1,0|2,0,0]=4 6338 B6R1.2 Brc1cc[nH]n1 1P001L55 [1,0,0,0,1,0|2,0,0]=4 6339 B6R1.2 Brc1cccs1 1P0001YI [1,0,0,0,1,0|2,0,0]=4 6340 B6R1.2 Brc1ccn[nH]1 1P008UPN [1,0,0,0,1,0|2,0,0]=4 6341 B6R1.2 Brc1ccno1 1P0008UV [1,0,0,0,1,0|2,0,0]=4 6342 B6R1.2 Brc1ccns1 1P003847 [1,0,0,0,1,0|2,0,0]=4 6343 B6R1.2 Brc1ccon1 1P008TPD [1,0,0,0,1,0|2,0,0]=4 6344 B6R1.2 Brc1ccsn1 1P0037J9 [1,0,0,0,1,0|2,0,0]=4 6345 B6R1.2 Brc1cn[nH]n1 1P01K0JE [1,0,0,0,1,0|2,0,0]=4 6346 B6R1.2 Brc1cnc[nH]1 1P002MDC [1,0,0,0,1,0|1,0,1]=4 6347 B6R1.2 Brc1cnco1 1P0094A7 [1,0,0,0,1,0|2,0,0]=4 6348 B6R1.2 Brc1cnco1 1P01B653 [1,0,0,0,1,0|2,0,0]=4 6349 B6R1.2 Brc1cncs1 1P00309V [1,0,0,0,1,0|2,0,0]=4 6350 B6R1.2 Brc1cocc1 1P00343I [1,0,0,0,1,0|2,0,0]=4 6351 B6R1.2 Brc1cocn1 1P009WUS [1,0,0,0,1,0|2,0,0]=4 6352 B6R1.2 Brc1cocn1 1P01B6N4 [1,0,0,0,1,0|2,0,0]=4 6353 B6R1.2 Brc1conc1 1P00375F [1,0,0,0,1,0|2,0,0]=4 6354 B6R1.2 Brc1cscc1 1P00343T [1,0,0,0,1,0|2,0,0]=4 6355 B6R1.2 Brc1cscn1 1P0034FH [1,0,0,0,1,0|2,0,0]=4 6356 B6R1.2 Brc1csnc1 1P0038M0 [1,0,0,0,1,0|2,0,0]=4 6357 B6R1.2 Brc1n[nH]cn1 1P00370I [1,0,0,0,1,0|2,0,0]=4 6358 B6R1.2 Brc1ncc[nH]1 1P0038GT [1,0,0,0,1,0|1,0,1]=4 6359 B6R1.2 Brc1ncc[nH]1 1P01ELJO [1,0,0,0,1,0|1,0,1]=4 6360 B6R1.2 Brc1ncco1 1P000O9T [1,0,0,0,1,0|2,0,0]=4 6361 B6R1.2 Brc1ncco1 1P01AC0E [1,0,0,0,1,0|2,0,0]=4 6362 B6R1.2 Brc1nccs1 1P00309X [1,0,0,0,1,0|2,0,0]=4 6363 B6R1.2 Brc1ncn[nH]1 1P00AXLQ [1,0,0,0,1,0|2,0,0]=4 6364 B6R1.2 Brc1ncns1 1P00DIBD [1,0,0,0,1,0|2,0,0]=4 6365 B6R1.2 Brc1nscn1 1P00J3VA [1,0,0,0,1,0|2,0,0]=4 6366 B6R1.2 C[C-]1C=CC=C1 1P000ZBQ [1,0,0,0,1,0|1,0,1]=4 6367 B6R1.2 Cc1[n-]ccn1 1P00EFKI [1,0,0,0,1,0|0,0,1]=3 6368 B6R1.2 Cc1c[nH+][nH]c1 1P00DF5M [1,0,0,0,1,0|1,0,1]=4 6369 B6R1.2 Cc1c[nH]cc1 1P00347O [1,0,0,0,1,0|0,0,1]=3 6370 B6R1.2 Cc1c[nH]cn1 1P0034KA [1,0,0,0,1,0|0,0,1]=3 6371 B6R1.2 Cc1c[nH]nc1 1P0034KB [1,0,0,0,1,0|1,0,0]=3 6372 B6R1.2 Cc1cc[nH]n1 1P001L8I [1,0,0,0,1,0|1,0,0]=3 6373 B6R1.2 Cc1ccc[nH]1 1P0036CQ [1,0,0,0,1,0|0,0,1]=3 6374 B6R1.2 Cc1ccco1 1P003I5W [1,0,0,0,1,0|1,0,0]=3 6375 B6R1.2 Cc1ccn[nH]1 1P00GV5F [1,0,0,0,1,0|1,0,0]=3 6376 B6R1.2 Cc1ccn[nH]1 1P00HFKT [1,0,0,0,1,0|1,0,0]=3 6377 B6R1.2 Cc1ccno1 1P0034RJ [1,0,0,0,1,0|1,0,0]=3 6378 B6R1.2 Cc1ccns1 1P00FD3O [1,0,0,0,1,0|1,0,0]=3 6379 B6R1.2 Cc1ccon1 1P0031XW [1,0,0,0,1,0|1,0,0]=3 6380 B6R1.2 Cc1cn[nH]n1 1P002GA1 [1,0,0,0,1,0|1,0,0]=3 6381 B6R1.2 Cc1cnc[nH]1 1P002MX4 [1,0,0,0,1,0|0,0,1]=3 6382 B6R1.2 Cc1cnco1 1P0037GR [1,0,0,0,1,0|1,0,0]=3 6383 B6R1.2 Cc1cncs1 1P003ND8 [1,0,0,0,1,0|1,0,0]=3 6384 B6R1.2 Cc1cnn[nH]1 1P002VA9 [1,0,0,0,1,0|1,0,1]=4 6385 B6R1.2 Cc1cnon1 1P002SJZ [1,0,0,0,1,0|1,0,0]=3 6386 B6R1.2 Cc1cocc1 1P003K7Y [1,0,0,0,1,0|1,0,0]=3 6387 B6R1.2 Cc1cocn1 1P00376B [1,0,0,0,1,0|1,0,0]=3 6388 B6R1.2 Cc1conc1 1P00EDTH [1,0,0,0,1,0|1,0,0]=3 6389 B6R1.2 Cc1cscc1 1P0037J4 [1,0,0,0,1,0|1,0,0]=3 6390 B6R1.2 Cc1cscn1 1P0034KU [1,0,0,0,1,0|1,0,0]=3 6391 B6R1.2 Cc1csnc1 1P00FFVP [1,0,0,0,1,0|1,0,0]=3 6392 B6R1.2 Cc1csnn1 1P0023VD [1,0,0,0,1,0|2,0,0]=4 6393 B6R1.2 Cc1n[nH]cn1 1P00347N [1,0,0,0,1,0|1,0,0]=3 6394 B6R1.2 Cc1ncc[nH]1 1P0033UW [1,0,0,0,1,0|0,0,1]=3 6395 B6R1.2 Cc1ncc[nH]1 1P01FPHT [1,0,0,0,1,0|0,0,1]=3 6396 B6R1.2 Cc1ncco1 1P002MBP [1,0,0,0,1,0|1,0,0]=3 6397 B6R1.2 Cc1nccs1 1P003I7G [1,0,0,0,1,0|1,0,0]=3 6398 B6R1.2 Cc1nnco1 1P0033UG [1,0,0,0,1,0|2,0,0]=4 6399 B6R1.2 Cc1nnn[nH]1 1P00IKYB [1,0,0,0,1,0|2,0,0]=4 6400 B6R1.2 Clc1c[nH]nc1 1P001RBV [1,0,0,0,1,0|2,0,0]=4 6401 B6R1.2 Clc1cc[nH]n1 1P0039E9 [1,0,0,0,1,0|2,0,0]=4 6402 B6R1.2 Clc1cccs1 1P0033WN [1,0,0,0,1,0|2,0,0]=4 6403 B6R1.2 Clc1ccn[nH]1 1P00H1ES [1,0,0,0,1,0|2,0,0]=4 6404 B6R1.2 Clc1ccon1 1P005DEE [1,0,0,0,1,0|2,0,0]=4 6405 B6R1.2 Clc1ccsn1 1P001ID4 [1,0,0,0,1,0|2,0,0]=4 6406 B6R1.2 Clc1cnc[nH]1 1P001RQY [1,0,0,0,1,0|1,0,1]=4 6407 B6R1.2 Clc1cncs1 1P01B60F [1,0,0,0,1,0|2,0,0]=4 6408 B6R1.2 Clc1cnsn1 1P00J3EE [1,0,0,0,1,0|2,0,0]=4 6409 B6R1.2 Clc1cscc1 1P0038PL [1,0,0,0,1,0|2,0,0]=4 6410 B6R1.2 Clc1cscn1 1P003LP9 [1,0,0,0,1,0|2,0,0]=4 6411 B6R1.2 Clc1csnc1 1P002QQB [1,0,0,0,1,0|2,0,0]=4 6412 B6R1.2 Clc1n[nH]cn1 1P005MDU [1,0,0,0,1,0|2,0,0]=4 6413 B6R1.2 Clc1ncc[nH]1 1P001TQY [1,0,0,0,1,0|1,0,1]=4 6414 B6R1.2 Clc1ncco1 1P01C0J0 [1,0,0,0,1,0|2,0,0]=4 6415 B6R1.2 Clc1nccs1 1P00309Y [1,0,0,0,1,0|2,0,0]=4 6416 B6R1.2 Clc1ncns1 1P007AF2 [1,0,0,0,1,0|2,0,0]=4 6417 B6R1.2 Clc1nscn1 1P01A6LQ [1,0,0,0,1,0|2,0,0]=4 6418 B6R1.2 Cn1cccc1 1P003TMI [1,0,0,0,1,0|2,0,0]=4 6419 B6R1.2 Cn1cccn1 1P003EXX [1,0,0,0,1,0|1,0,0]=3 6420 B6R1.2 Cn1ccnn1 1P0036FO [1,0,0,0,1,0|2,0,0]=4 6421 B6R1.2 Cn1cncc1 1P001NMJ [1,0,0,0,1,0|1,0,0]=3 6422 B6R1.2 Cn1cncc1 1P007BCU [1,0,0,0,1,0|1,0,0]=3 6423 B6R1.2 Cn1cncn1 1P003EXL [1,0,0,0,1,0|1,0,0]=3 6424 B6R1.2 Cn1cnnc1 1P0092FW [1,0,0,0,1,0|2,0,0]=4 6425 B6R1.2 Cn1cnnn1 1P007E21 [1,0,0,0,1,0|2,0,0]=4 6426 B6R1.2 Cn1nccn1 1P002IJT [1,0,0,0,1,0|1,0,0]=3 6427 B6R1.2 Cn1nncn1 1P007WZ6 [1,0,0,0,1,0|2,0,0]=4 6428 B6R1.2 Fc1c[nH]nc1 1P0036N9 [1,0,0,0,1,0|2,0,0]=4 6429 B6R1.2 Fc1c[nH]nc1 1P00I3ON [1,0,0,0,1,0|2,0,0]=4 6430 B6R1.2 Fc1cc[nH]n1 1P001L54 [1,0,0,0,1,0|2,0,0]=4 6431 B6R1.2 Fc1cccs1 1P00BYBL [1,0,0,0,1,0|2,0,0]=4 6432 B6R1.2 Fc1cnc[nH]1 1P007K08 [1,0,0,0,1,0|1,0,1]=4 6433 B6R1.2 Fc1cocc1 1P0292CG [1,0,0,0,1,0|2,0,0]=4 6434 B6R1.2 Fc1cscc1 1P003268 [1,0,0,0,1,0|2,0,0]=4 6435 B6R1.2 Fc1ncc[nH]1 1P00CM2R [1,0,0,0,1,0|1,0,1]=4 6436 B6R1.2 Fc1nccs1 1P00BI23 [1,0,0,0,1,0|2,0,0]=4 6437 B6R1.2 Fc1ncn[nH]1 1P00CLJL [1,0,0,0,1,0|2,0,0]=4 6438 B6R1.2 Ic1c[nH]cn1 1P0034JK [1,0,0,0,1,0|1,0,1]=4 6439 B6R1.2 Ic1c[nH]nc1 1P003M1M [1,0,0,0,1,0|2,0,0]=4 6440 B6R1.2 Ic1cc[nH]n1 1P00037Y [1,0,0,0,1,0|2,0,0]=4 6441 B6R1.2 Ic1cccs1 1P0033TX [1,0,0,0,1,0|2,0,0]=4 6442 B6R1.2 Ic1ccn[nH]1 1P0038Q7 [1,0,0,0,1,0|2,0,0]=4 6443 B6R1.2 Ic1ccns1 1P00J3CN [1,0,0,0,1,0|2,0,0]=4 6444 B6R1.2 Ic1cnco1 1P027WF8 [1,0,0,0,1,0|2,0,0]=4 6445 B6R1.2 Ic1cncs1 1P009R22 [1,0,0,0,1,0|2,0,0]=4 6446 B6R1.2 Ic1cocn1 1P01BJ4G [1,0,0,0,1,0|2,0,0]=4 6447 B6R1.2 Ic1conc1 1P004YU2 [1,0,0,0,1,0|2,0,0]=4 6448 B6R1.2 Ic1cscc1 1P00860K [1,0,0,0,1,0|2,0,0]=4 6449 B6R1.2 Ic1cscn1 1P01BUQT [1,0,0,0,1,0|2,0,0]=4 6450 B6R1.2 Ic1csnc1 1P00DCN7 [1,0,0,0,1,0|2,0,0]=4 6451 B6R1.2 Ic1n[nH]cn1 1P008PIP [1,0,0,0,1,0|2,0,0]=4 6452 B6R1.2 Ic1ncc[nH]1 1P00309S [1,0,0,0,1,0|1,0,1]=4 6453 B6R1.2 Ic1ncco1 1P00IF7W [1,0,0,0,1,0|2,0,0]=4 6454 B6R1.2 Ic1nccs1 1P00309W [1,0,0,0,1,0|2,0,0]=4 6455 B6R1.2 Nc1c[nH]cc1 1P003AMF [1,0,0,0,1,0|1,0,1]=4 6456 B6R1.2 Nc1c[nH]nc1 1P002VTR [1,0,0,0,1,0|2,0,0]=4 6457 B6R1.2 Nc1c[nH]nc1 1P0074MC [1,0,0,0,1,0|2,0,0]=4 6458 B6R1.2 Nc1c[nH]nc1 1P0092UA [1,0,0,0,1,0|2,0,0]=4 6459 B6R1.2 Nc1ccn[nH]1 1P00I0ST [1,0,0,0,1,0|2,0,0]=4 6460 B6R1.2 Nc1ccno1 1P001ES2 [1,0,0,0,1,0|2,0,0]=4 6461 B6R1.2 Nc1ccns1 1P003AW8 [1,0,0,0,1,0|2,0,0]=4 6462 B6R1.2 Nc1ccon1 1P0020K7 [1,0,0,0,1,0|2,0,0]=4 6463 B6R1.2 Nc1cn[nH]n1 1P00J1V3 [1,0,0,0,1,0|2,0,0]=4 6464 B6R1.2 Nc1cnc[nH]1 1P000S6U [1,0,0,0,1,0|1,0,1]=4 6465 B6R1.2 Nc1cncs1 1P0025NE [1,0,0,0,1,0|2,0,0]=4 6466 B6R1.2 Nc1cncs1 1P0034NP [1,0,0,0,1,0|2,0,0]=4 6467 B6R1.2 Nc1cnon1 1P00646W [1,0,0,0,1,0|2,0,0]=4 6468 B6R1.2 Nc1cnsn1 1P01A0F4 [1,0,0,0,1,0|2,0,0]=4 6469 B6R1.2 Nc1conc1 1P008RI0 [1,0,0,0,1,0|2,0,0]=4 6470 B6R1.2 Nc1conc1 1P008U89 [1,0,0,0,1,0|2,0,0]=4 6471 B6R1.2 Nc1cscc1 1P00BFOP [1,0,0,0,1,0|2,0,0]=4 6472 B6R1.2 Nc1cscn1 1P0025NF [1,0,0,0,1,0|2,0,0]=4 6473 B6R1.2 Nc1csnc1 1P0037IR [1,0,0,0,1,0|2,0,0]=4 6474 B6R1.2 Nc1csnc1 1P00EIUC [1,0,0,0,1,0|2,0,0]=4 6475 B6R1.2 Nc1csnc1 1P01B2JY [1,0,0,0,1,0|2,0,0]=4 6476 B6R1.2 Nc1nc[nH]c1 1P0039YW [1,0,0,0,1,0|1,0,1]=4 6477 B6R1.2 Nc1ncc[nH]1 1P001KWS [1,0,0,0,1,0|1,0,1]=4 6478 B6R1.2 Nc1ncc[nH]1 1P00338E [1,0,0,0,1,0|1,0,1]=4 6479 B6R1.2 Nc1ncco1 1P0033L1 [1,0,0,0,1,0|2,0,0]=4 6480 B6R1.2 Nc1nccs1 1P00IBBT [1,0,0,0,1,0|2,0,0]=4 6481 B6R1.2 Nc1ncns1 1P001RDR [1,0,0,0,1,0|2,0,0]=4 6482 B6R1.2 Nc1ncns1 1P003DRQ [1,0,0,0,1,0|2,0,0]=4 6483 B6R1.2 Nc1ncns1 1P008QCV [1,0,0,0,1,0|2,0,0]=4 6484 B6R1.2 Nc1nocn1 1P00D4NZ [1,0,0,0,1,0|2,0,0]=4 6485 B6R1.2 Nc1scnc1 1P01C520 [1,0,0,0,1,0|2,0,0]=4 6486 B6R1.2 Nn1cccn1 1P00CL92 [1,0,0,0,1,0|2,0,0]=4 6487 B6R1.2 Nn1cncc1 1P003959 [1,0,0,0,1,0|2,0,0]=4 6488 B6R1.2 Nn1cncc1 1P0039HI [1,0,0,0,1,0|2,0,0]=4 6489 B6R1.2 Nn1cncn1 1P002QLD [1,0,0,0,1,0|2,0,0]=4 6490 B6R1.2 O=C1N=NC=N1 1P00BXUB [1,0,0,0,1,0|2,0,0]=4 6491 B6R1.2 Oc1c[nH]cn1 1P0063WX [1,0,0,0,1,0|1,0,1]=4 6492 B6R1.2 Oc1c[nH]nc1 1P0034J7 [1,0,0,0,1,0|2,0,0]=4 6493 B6R1.2 Oc1c[nH]nc1 1P00J2QO [1,0,0,0,1,0|2,0,0]=4 6494 B6R1.2 Oc1cc[nH]n1 1P00EIV8 [1,0,0,0,1,0|2,0,0]=4 6495 B6R1.2 Oc1cccs1 1P007WJZ [1,0,0,0,1,0|2,0,0]=4 6496 B6R1.2 Oc1ccn[nH]1 1P00EF5X [1,0,0,0,1,0|2,0,0]=4 6497 B6R1.2 Oc1cnsn1 1P00F041 [1,0,0,0,1,0|2,0,0]=4 6498 B6R1.2 Oc1conc1 1P00G9VS [1,0,0,0,1,0|2,0,0]=4 6499 B6R1.2 Oc1cscc1 1P007DIM [1,0,0,0,1,0|2,0,0]=4 6500 B6R1.2 Oc1nccs1 1P00G7GQ [1,0,0,0,1,0|2,0,0]=4 6501 B6R1.2 Oc1ncn[nH]1 1P0017LF [1,0,0,0,1,0|2,0,0]=4 6502 B6R1.2 On1cccn1 1P0056CG [1,0,0,0,1,0|2,0,0]=4 6503 B6R1.2 Sc1c[nH]nc1 1P0221KR [1,0,0,0,1,0|2,0,0]=4 6504 B6R1.2 Sc1cc[nH]n1 1P028LHX [1,0,0,0,1,0|2,0,0]=4 6505 B6R1.2 Sc1cccs1 1P003IEZ [1,0,0,0,1,0|2,0,0]=4 6506 B6R1.2 Sc1cscc1 1P00589C [1,0,0,0,1,0|2,0,0]=4 6507 B6R1.2 Sc1n[nH]cn1 1P00338A [1,0,0,0,1,0|2,0,0]=4 6508 B6R1.2 Sc1nccs1 1P00IDP6 [1,0,0,0,1,0|2,0,0]=4 6509 B6R1.2 [Fe]C1=CC=CC1 1P003PMR [1,0,0,0,1,0|2,0,0]=4 6510 B6R1.2 [Mn]C1=CC=CC1 1P003PMS [1,0,0,0,1,0|2,0,0]=4 6511 B6R1.2 [Tl]C1=CC=CC1 1P00C19M [1,0,0,0,1,0|2,0,0]=4