0 B8R1.11 Brc1c(C=O)cc[nH]1 1P0293SK [0,0,0,0,0,0|3,0,1]=4 1 B8R1.11 Brc1c(C=O)nc[nH]1 1P00DJZ5 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.11 Brc1cnsc1C=O 1P01BVX5 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.11 Brc1ncsc1C#N 1P00HV5T [0,0,0,0,0,0|2,0,1]=3 4 B8R1.11 Brc1ncsc1C=O 1P000MKC [0,0,0,0,0,0|2,0,0]=2 5 B8R1.11 Brc1occc1C=O 1P007P64 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.11 Brc1sccc1C=O 1P0038OD [0,0,0,0,0,0|4,0,0]=4 7 B8R1.11 Brc1scnc1C=O 1P00LXUD [0,0,0,0,0,0|4,0,0]=4 8 B8R1.11 C#Cc1sccc1Br 1P028ZFD [0,0,0,0,0,0|2,0,2]=4 9 B8R1.11 C#Cc1sccc1C 1P008N5V [0,0,0,0,0,0|1,0,2]=3 10 B8R1.11 C#Cc1sccc1Cl 1P024UL1 [0,0,0,0,0,0|2,0,2]=4 11 B8R1.11 C=Cc1cccn1C 1P01BTSH [0,0,0,0,0,0|3,0,0]=3 12 B8R1.11 CCc1c[nH]nc1C 1P01UOKS [0,0,0,0,0,0|2,0,2]=4 13 B8R1.11 CCc1ocnc1I 1P028UDH [0,0,0,0,0,0|1,1,2]=4 14 B8R1.11 CCc1scnc1C 1P00C09C [0,0,0,0,0,0|0,0,2]=2 15 B8R1.11 CCn1ccnc1C 1P007P91 [0,0,0,0,0,0|2,0,2]=4 16 B8R1.11 CNc1ccnn1C 1P01AKMK [0,0,0,0,0,0|3,0,1]=4 17 B8R1.11 CNc1ccnn1C 1P01AKML [0,0,0,0,0,0|3,0,1]=4 18 B8R1.11 CNc1csnc1C 1P01FK14 [0,0,0,0,0,0|3,0,1]=4 19 B8R1.11 CNc1nonc1C 1P027VVI [0,0,0,0,0,0|3,0,1]=4 20 B8R1.11 COc1ccnn1C 1P00HUAZ [0,0,0,0,0,0|3,0,1]=4 21 B8R1.11 COc1sccc1Br 1P00EQRS [0,0,0,0,0,0|3,0,1]=4 22 B8R1.11 CSc1ccoc1C 1P003I2Z [0,0,0,0,0,0|3,0,1]=4 23 B8R1.11 Cc1c(C=O)nc[nH]1 1P003NBH [0,0,0,0,0,0|2,0,1]=3 24 B8R1.11 Cc1c(nc[nH]1)C#N 1P008TD0 [0,0,0,0,0,0|2,0,2]=4 25 B8R1.11 Cc1c[nH]nc1C=O 1P01B8B4 [0,0,0,0,0,0|4,0,0]=4 26 B8R1.11 Cc1cnoc1C=O 1P028SY7 [0,0,0,0,0,0|3,1,0]=4 27 B8R1.11 Cc1cnsc1C=O 1P00490Z [0,0,0,0,0,0|3,0,0]=3 28 B8R1.11 Cc1cocc1C=O 1P0289XQ [0,0,0,0,0,0|4,0,0]=4 29 B8R1.11 Cc1conc1C=O 1P00HBLY [0,0,0,0,0,0|4,0,0]=4 30 B8R1.11 Cc1cscc1C=O 1P00G8DI [0,0,0,0,0,0|4,0,0]=4 31 B8R1.11 Cc1csnc1C=O 1P01DVF3 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.11 Cc1n[nH]cc1C#N 1P001011 [0,0,0,0,0,0|3,0,1]=4 33 B8R1.11 Cc1n[nH]cc1C=O 1P003K5C [0,0,0,0,0,0|3,0,0]=3 34 B8R1.11 Cc1n[nH]cc1CN 1P00039D [0,0,0,0,0,0|3,0,1]=4 35 B8R1.11 Cc1n[nH]cc1CN 1P019XQ2 [0,0,0,0,0,0|3,0,1]=4 36 B8R1.11 Cc1n[nH]cc1CO 1P006WCZ [0,0,0,0,0,0|3,0,1]=4 37 B8R1.11 Cc1nc[nH]c1CCl 1P00DFNK [0,0,0,0,0,0|2,0,1]=3 38 B8R1.11 Cc1nc[nH]c1CN 1P00FS4D [0,0,0,0,0,0|2,0,1]=3 39 B8R1.11 Cc1nc[nH]c1CO 1P002ZFD [0,0,0,0,0,0|2,0,1]=3 40 B8R1.11 Cc1nc[nH]c1CO 1P003M7Q [0,0,0,0,0,0|2,0,1]=3 41 B8R1.11 Cc1nccn1C#N 1P0021DP [0,0,0,0,0,0|3,0,1]=4 42 B8R1.11 Cc1nccn1C=C 1P002W1R [0,0,0,0,0,0|2,0,0]=2 43 B8R1.11 Cc1ncoc1C#N 1P0001Z4 [0,0,0,0,0,0|1,1,1]=3 44 B8R1.11 Cc1ncoc1C=O 1P001QVV [0,0,0,0,0,0|1,1,0]=2 45 B8R1.11 Cc1ncoc1CCl 1P00DLW6 [0,0,0,0,0,0|1,1,1]=3 46 B8R1.11 Cc1ncoc1CCl 1P021N13 [0,0,0,0,0,0|1,1,1]=3 47 B8R1.11 Cc1ncoc1CN 1P01AM79 [0,0,0,0,0,0|1,1,1]=3 48 B8R1.11 Cc1ncoc1CN 1P01EIJH [0,0,0,0,0,0|1,1,1]=3 49 B8R1.11 Cc1ncoc1CO 1P003M63 [0,0,0,0,0,0|1,1,1]=3 50 B8R1.11 Cc1ncsc1C=C 1P0021R5 [0,0,0,0,0,0|0,0,0]=0 51 B8R1.11 Cc1ncsc1C=O 1P003M9J [0,0,0,0,0,0|1,0,0]=1 52 B8R1.11 Cc1ncsc1CBr 1P00J3DE [0,0,0,0,0,0|1,0,1]=2 53 B8R1.11 Cc1ncsc1CCl 1P000UJQ [0,0,0,0,0,0|1,0,1]=2 54 B8R1.11 Cc1ncsc1CN 1P00G55H [0,0,0,0,0,0|1,0,1]=2 55 B8R1.11 Cc1ncsc1CO 1P002BFI [0,0,0,0,0,0|1,0,1]=2 56 B8R1.11 Cc1nocc1CBr 1P01E8TO [0,0,0,0,0,0|3,0,1]=4 57 B8R1.11 Cc1nocc1CCl 1P003WAH [0,0,0,0,0,0|3,0,1]=4 58 B8R1.11 Cc1nocc1CN 1P0013IW [0,0,0,0,0,0|3,0,1]=4 59 B8R1.11 Cc1nocc1CN 1P001BI9 [0,0,0,0,0,0|3,0,1]=4 60 B8R1.11 Cc1nocc1CO 1P000274 [0,0,0,0,0,0|3,0,1]=4 61 B8R1.11 Cc1nocc1CS 1P028FRL [0,0,0,0,0,0|3,0,1]=4 62 B8R1.11 Cc1nonc1C=O 1P00IGMN [0,0,0,0,0,0|3,0,0]=3 63 B8R1.11 Cc1nonc1CBr 1P00J37H [0,0,0,0,0,0|3,0,1]=4 64 B8R1.11 Cc1nonc1CCl 1P0033XG [0,0,0,0,0,0|3,0,1]=4 65 B8R1.11 Cc1nonc1CN 1P000HSB [0,0,0,0,0,0|3,0,1]=4 66 B8R1.11 Cc1nonc1CN 1P007HU1 [0,0,0,0,0,0|3,0,1]=4 67 B8R1.11 Cc1nonc1CO 1P0053ZA [0,0,0,0,0,0|3,0,1]=4 68 B8R1.11 Cc1nonc1CS 1P0284JS [0,0,0,0,0,0|3,0,1]=4 69 B8R1.11 Cc1nscc1C#C 1P028F3X [0,0,0,0,0,0|2,0,2]=4 70 B8R1.11 Cc1nscc1C#N 1P00EDSA [0,0,0,0,0,0|3,0,1]=4 71 B8R1.11 Cc1nscc1C=O 1P01DZBM [0,0,0,0,0,0|3,0,0]=3 72 B8R1.11 Cc1nscc1CCl 1P02907E [0,0,0,0,0,0|3,0,1]=4 73 B8R1.11 Cc1nscc1CO 1P01DZBN [0,0,0,0,0,0|3,0,1]=4 74 B8R1.11 Cc1occc1C=O 1P00DBXY [0,0,0,0,0,0|3,0,0]=3 75 B8R1.11 Cc1occc1CN 1P00C939 [0,0,0,0,0,0|3,0,1]=4 76 B8R1.11 Cc1occc1CN 1P019XAT [0,0,0,0,0,0|3,0,1]=4 77 B8R1.11 Cc1occc1CO 1P003IP1 [0,0,0,0,0,0|3,0,1]=4 78 B8R1.11 Cc1ocnc1C#C 1P028IZI [0,0,0,0,0,0|2,0,2]=4 79 B8R1.11 Cc1ocnc1C#N 1P01A3FL [0,0,0,0,0,0|3,0,1]=4 80 B8R1.11 Cc1ocnc1C=O 1P00MDY4 [0,0,0,0,0,0|3,0,0]=3 81 B8R1.11 Cc1ocnc1CCl 1P000LYP [0,0,0,0,0,0|3,0,1]=4 82 B8R1.11 Cc1ocnc1CO 1P00GW29 [0,0,0,0,0,0|3,0,1]=4 83 B8R1.11 Cc1oncc1C=O 1P028ZLY [0,0,0,0,0,0|4,0,0]=4 84 B8R1.11 Cc1sccc1C=O 1P004NVR [0,0,0,0,0,0|3,0,0]=3 85 B8R1.11 Cc1sccc1CCl 1P027UD7 [0,0,0,0,0,0|3,0,1]=4 86 B8R1.11 Cc1sccc1CN 1P01FJXJ [0,0,0,0,0,0|3,0,1]=4 87 B8R1.11 Cc1scnc1C=O 1P002SGK [0,0,0,0,0,0|3,0,0]=3 88 B8R1.11 Cc1scnc1CCl 1P00HWGE [0,0,0,0,0,0|3,0,1]=4 89 B8R1.11 Cc1scnc1CN 1P028ZJJ [0,0,0,0,0,0|3,0,1]=4 90 B8R1.11 Cc1scnc1CO 1P004N28 [0,0,0,0,0,0|3,0,1]=4 91 B8R1.11 Cc1scnc1CO 1P00J30A [0,0,0,0,0,0|3,0,1]=4 92 B8R1.11 Cc1sncc1C=O 1P01EMPQ [0,0,0,0,0,0|4,0,0]=4 93 B8R1.11 ClCc1sccc1Br 1P00FGO5 [0,0,0,0,0,0|3,0,1]=4 94 B8R1.11 ClCc1sccc1Cl 1P01BFZ0 [0,0,0,0,0,0|3,0,1]=4 95 B8R1.11 ClCc1sccc1I 1P01RLGG [0,0,0,0,0,0|3,0,1]=4 96 B8R1.11 ClCc1snnc1C 1P0051G6 [0,0,0,0,0,0|2,0,1]=3 97 B8R1.11 Clc1ncsc1C#N 1P00ANOJ [0,0,0,0,0,0|2,0,1]=3 98 B8R1.11 Clc1ncsc1C=O 1P007WV6 [0,0,0,0,0,0|2,0,0]=2 99 B8R1.11 Clc1sccc1C=O 1P009WTJ [0,0,0,0,0,0|4,0,0]=4 100 B8R1.11 Cn1nccc1C#C 1P002BDX [0,0,0,0,0,0|2,0,2]=4 101 B8R1.11 Cn1nccc1C#N 1P00339F [0,0,0,0,0,0|3,0,1]=4 102 B8R1.11 Cn1nccc1C=O 1P0038KU [0,0,0,0,0,0|3,0,0]=3 103 B8R1.11 Cn1nccc1CBr 1P01BSNZ [0,0,0,0,0,0|3,0,1]=4 104 B8R1.11 Cn1nccc1CCl 1P003MNQ [0,0,0,0,0,0|3,0,1]=4 105 B8R1.11 Cn1nccc1CCl 1P00G7HY [0,0,0,0,0,0|3,0,1]=4 106 B8R1.11 Cn1nccc1CN 1P003MNB [0,0,0,0,0,0|3,0,1]=4 107 B8R1.11 Cn1nccc1CN 1P0093F9 [0,0,0,0,0,0|3,0,1]=4 108 B8R1.11 Cn1nccc1CO 1P008I3U [0,0,0,0,0,0|3,0,1]=4 109 B8R1.11 Cn1nccc1CS 1P028GXP [0,0,0,0,0,0|3,0,1]=4 110 B8R1.11 Cn1ncnc1C#C 1P00DYQN [0,0,0,0,0,0|2,0,2]=4 111 B8R1.11 Cn1ncnc1C#N 1P01EK5T [0,0,0,0,0,0|3,0,1]=4 112 B8R1.11 Cn1ncnc1CCl 1P009MOF [0,0,0,0,0,0|3,0,1]=4 113 B8R1.11 Cn1ncnc1CN 1P002OOE [0,0,0,0,0,0|3,0,1]=4 114 B8R1.11 Cn1ncnc1CN 1P01A4FS [0,0,0,0,0,0|3,0,1]=4 115 B8R1.11 Cn1ncnc1CO 1P0037FL [0,0,0,0,0,0|3,0,1]=4 116 B8R1.11 Cn1ncnc1CO 1P01BCIZ [0,0,0,0,0,0|3,0,1]=4 117 B8R1.11 Cn1ncnc1NN 1P01BGSS [0,0,0,0,0,0|4,0,0]=4 118 B8R1.11 Cn1ncnc1NN 1P01C51R [0,0,0,0,0,0|4,0,0]=4 119 B8R1.11 Ic1sccc1C=O 1P002H71 [0,0,0,0,0,0|4,0,0]=4 120 B8R1.11 N#CC1=C(C)C=CN1 1P01G7RI [0,0,0,0,0,0|3,0,1]=4 121 B8R1.11 N#Cc1sccc1Br 1P002H1F [0,0,0,0,0,0|3,0,1]=4 122 B8R1.11 N#Cc1sccc1C 1P003K8R [0,0,0,0,0,0|2,0,1]=3 123 B8R1.11 N#Cc1sccc1Cl 1P001F3J [0,0,0,0,0,0|3,0,1]=4 124 B8R1.11 N#Cc1sccc1N 1P00ELHY [0,0,0,0,0,0|3,0,1]=4 125 B8R1.11 N#Cc1snnc1C 1P0020Q7 [0,0,0,0,0,0|2,0,1]=3 126 B8R1.11 NCc1c[nH]nc1C 1P01A7EA [0,0,0,0,0,0|3,0,1]=4 127 B8R1.11 NCc1ccnn1C 1P0091AA [0,0,0,0,0,0|3,0,1]=4 128 B8R1.11 NCc1csnc1C 1P027W0J [0,0,0,0,0,0|3,0,1]=4 129 B8R1.11 NCc1nc[nH]c1C 1P019TWY [0,0,0,0,0,0|2,0,2]=4 130 B8R1.11 NCc1occc1C 1P00CM1P [0,0,0,0,0,0|2,1,1]=4 131 B8R1.11 NCc1sccc1Br 1P0055YI [0,0,0,0,0,0|3,0,1]=4 132 B8R1.11 NCc1sccc1C 1P003C9G [0,0,0,0,0,0|2,0,1]=3 133 B8R1.11 NCc1sccc1C 1P00HBEG [0,0,0,0,0,0|2,0,1]=3 134 B8R1.11 NCc1sccc1Cl 1P00BK1B [0,0,0,0,0,0|3,0,1]=4 135 B8R1.11 NCc1sccc1Cl 1P00ILE2 [0,0,0,0,0,0|3,0,1]=4 136 B8R1.11 NCc1sccc1I 1P028CQW [0,0,0,0,0,0|3,0,1]=4 137 B8R1.11 NCc1snnc1C 1P0054CL [0,0,0,0,0,0|2,0,1]=3 138 B8R1.11 NNc1ccnn1C 1P00J3AT [0,0,0,0,0,0|4,0,0]=4 139 B8R1.11 O=Cc1[nH]ccc1Br 1P00CRE5 [0,0,0,0,0,0|4,0,0]=4 140 B8R1.11 O=Cc1[nH]ccc1C 1P007OR5 [0,0,0,0,0,0|3,0,0]=3 141 B8R1.11 O=Cc1cccn1C 1P000IT4 [0,0,0,0,0,0|4,0,0]=4 142 B8R1.11 O=Cc1cnnn1C 1P002910 [0,0,0,0,0,0|4,0,0]=4 143 B8R1.11 O=Cc1nccn1C 1P0013VA [0,0,0,0,0,0|4,0,0]=4 144 B8R1.11 O=Cc1occc1Br 1P006VJD [0,0,0,0,0,0|3,1,0]=4 145 B8R1.11 O=Cc1occc1F 1P01DTUB [0,0,0,0,0,0|3,1,0]=4 146 B8R1.11 O=Cc1sccc1Br 1P003JM1 [0,0,0,0,0,0|3,0,0]=3 147 B8R1.11 O=Cc1sccc1C 1P00347R [0,0,0,0,0,0|2,0,0]=2 148 B8R1.11 O=Cc1sccc1Cl 1P0061KR [0,0,0,0,0,0|3,0,0]=3 149 B8R1.11 O=Cc1sccc1I 1P01H392 [0,0,0,0,0,0|3,0,0]=3 150 B8R1.11 O=Cc1sccc1N 1P00EIWP [0,0,0,0,0,0|3,0,0]=3 151 B8R1.11 O=Cc1snnc1C 1P000X5J [0,0,0,0,0,0|2,0,0]=2 152 B8R1.11 OCc1occc1C 1P00C2AP [0,0,0,0,0,0|2,1,1]=4 153 B8R1.11 OCc1sccc1Br 1P00FBQ7 [0,0,0,0,0,0|3,0,1]=4 154 B8R1.11 OCc1sccc1C 1P00EJFD [0,0,0,0,0,0|2,0,1]=3 155 B8R1.11 OCc1sccc1Cl 1P00BBN8 [0,0,0,0,0,0|3,0,1]=4 156 B8R1.11 OCc1sccc1N 1P00AC6X [0,0,0,0,0,0|3,0,1]=4 157 B8R1.11 OCc1scnc1Br 1P002SVS [0,0,0,0,0,0|2,0,1]=3 158 B8R1.11 OCc1scnc1Cl 1P0008BK [0,0,0,0,0,0|2,0,1]=3 159 B8R1.11 OCc1snnc1C 1P001U2A [0,0,0,0,0,0|2,0,1]=3 160 B8R1.11 SCc1occc1C 1P01EJ9G [0,0,0,0,0,0|2,1,1]=4 161 B7R1.1 BrCc1cccs1 1P003A54 [1,0,0,0,0,0|2,0,1]=4 162 B7R1.1 BrCc1cnco1 1P000X8S [1,0,0,0,0,0|1,1,1]=4 163 B7R1.1 BrCc1cncs1 1P00IJOS [1,0,0,0,0,0|1,0,1]=3 164 B7R1.1 BrCc1cnns1 1P01BBDX [1,0,0,0,0,0|2,0,1]=4 165 B7R1.1 C#Cc1cccs1 1P0038AO [1,0,0,0,0,0|1,0,2]=4 166 B7R1.1 C#Cc1cnc[nH]1 1P00EM44 [1,0,0,0,0,0|1,0,2]=4 167 B7R1.1 C#Cc1cnco1 1P01DRZ2 [1,0,0,0,0,0|0,1,2]=4 168 B7R1.1 C#Cc1cncs1 1P004NIS [1,0,0,0,0,0|0,0,2]=3 169 B7R1.1 C=C[C-]1C=CC=C1 1P000X4U [1,0,0,0,0,0|2,0,1]=4 170 B7R1.1 C=Cc1c[nH]cn1 1P01BJ1I [1,0,0,0,0,0|1,0,1]=3 171 B7R1.1 C=Cc1c[nH]nc1 1P027OES [1,0,0,0,0,0|2,0,0]=3 172 B7R1.1 C=Cc1cc[nH]n1 1P003AWK [1,0,0,0,0,0|2,0,1]=4 173 B7R1.1 C=Cc1ccco1 1P001LLL [1,0,0,0,0,0|1,1,0]=3 174 B7R1.1 C=Cc1cccs1 1P002FXU [1,0,0,0,0,0|1,0,0]=2 175 B7R1.1 C=Cc1cncs1 1P01BRJP [1,0,0,0,0,0|0,0,0]=1 176 B7R1.1 C=Cc1cscc1 1P0012UB [1,0,0,0,0,0|2,0,0]=3 177 B7R1.1 C=Cc1ncc[nH]1 1P00DIAP [1,0,0,0,0,0|3,0,0]=4 178 B7R1.1 C=Cc1ncc[nH]1 1P0285M8 [1,0,0,0,0,0|3,0,0]=4 179 B7R1.1 C=Cc1nccs1 1P00HVP0 [1,0,0,0,0,0|2,0,0]=3 180 B7R1.1 C=Cc1nnn[nH]1 1P00K8SK [1,0,0,0,0,0|3,0,0]=4 181 B7R1.1 C=Cn1cccc1 1P0080L9 [1,0,0,0,0,0|3,0,0]=4 182 B7R1.1 C=Cn1cccn1 1P00289Z [1,0,0,0,0,0|3,0,0]=4 183 B7R1.1 C=Cn1ccnn1 1P01EMLS [1,0,0,0,0,0|3,0,0]=4 184 B7R1.1 C=Cn1cncn1 1P00C4CH [1,0,0,0,0,0|2,0,0]=3 185 B7R1.1 C=Cn1cnnn1 1P0021NN [1,0,0,0,0,0|3,0,0]=4 186 B7R1.1 CCc1cccs1 1P003HOV [1,0,0,0,0,0|1,0,2]=4 187 B7R1.1 CCc1cnc[nH]1 1P001J1R [1,0,0,0,0,0|1,0,2]=4 188 B7R1.1 CCc1cnco1 1P007IH6 [1,0,0,0,0,0|0,1,2]=4 189 B7R1.1 CNc1nncs1 1P00I84C [1,0,0,0,0,0|2,0,1]=4 190 B7R1.1 COc1cccs1 1P001YI0 [1,0,0,0,0,0|2,0,1]=4 191 B7R1.1 COc1nncs1 1P004Y6Z [1,0,0,0,0,0|2,0,1]=4 192 B7R1.1 CSc1cccs1 1P0033CD [1,0,0,0,0,0|2,0,1]=4 193 B7R1.1 CSc1cncs1 1P01BU59 [1,0,0,0,0,0|1,0,1]=3 194 B7R1.1 CSc1nncs1 1P028THD [1,0,0,0,0,0|2,0,1]=4 195 B7R1.1 ClCc1cccs1 1P005XFR [1,0,0,0,0,0|2,0,1]=4 196 B7R1.1 ClCc1cnco1 1P007W6B [1,0,0,0,0,0|1,1,1]=4 197 B7R1.1 ClCc1cncs1 1P009I1Z [1,0,0,0,0,0|1,0,1]=3 198 B7R1.1 ClCc1cncs1 1P00DCWM [1,0,0,0,0,0|1,0,1]=3 199 B7R1.1 ClCc1nncs1 1P019ZE1 [1,0,0,0,0,0|2,0,1]=4 200 B7R1.1 N#Cc1cccs1 1P0001Y6 [1,0,0,0,0,0|2,0,1]=4 201 B7R1.1 NCc1cccs1 1P002V4I [1,0,0,0,0,0|2,0,1]=4 202 B7R1.1 NCc1cnco1 1P000PTG [1,0,0,0,0,0|1,1,1]=4 203 B7R1.1 NCc1cncs1 1P001WDD [1,0,0,0,0,0|1,0,1]=3 204 B7R1.1 NCc1cncs1 1P00811W [1,0,0,0,0,0|1,0,1]=3 205 B7R1.1 NCc1cnns1 1P028N1M [1,0,0,0,0,0|2,0,1]=4 206 B7R1.1 NCc1cnns1 1P028QZG [1,0,0,0,0,0|2,0,1]=4 207 B7R1.1 NCc1ocnc1 1P009I2F [1,0,0,0,0,0|1,1,1]=4 208 B7R1.1 NCc1scnc1 1P0015PG [1,0,0,0,0,0|1,0,1]=3 209 B7R1.1 NCc1scnn1 1P01BSDS [1,0,0,0,0,0|2,0,1]=4 210 B7R1.1 O=Cc1c[nH]cc1 1P00360O [1,0,0,0,0,0|2,0,1]=4 211 B7R1.1 O=Cc1c[nH]nc1 1P000Q03 [1,0,0,0,0,0|3,0,0]=4 212 B7R1.1 O=Cc1c[nH]nc1 1P0036BF [1,0,0,0,0,0|3,0,0]=4 213 B7R1.1 O=Cc1ccc[nH]1 1P0001Y8 [1,0,0,0,0,0|3,0,0]=4 214 B7R1.1 O=Cc1ccc[se]1 1P002QYK [1,0,0,0,0,0|2,1,0]=4 215 B7R1.1 O=Cc1ccco1 1P0033SN [1,0,0,0,0,0|2,1,0]=4 216 B7R1.1 O=Cc1cccs1 1P0039RD [1,0,0,0,0,0|2,0,0]=3 217 B7R1.1 O=Cc1ccn[nH]1 1P003EVE [1,0,0,0,0,0|3,0,0]=4 218 B7R1.1 O=Cc1ccno1 1P00ABVW [1,0,0,0,0,0|3,0,0]=4 219 B7R1.1 O=Cc1ccns1 1P00395A [1,0,0,0,0,0|3,0,0]=4 220 B7R1.1 O=Cc1cnc[nH]1 1P00309Z [1,0,0,0,0,0|2,0,0]=3 221 B7R1.1 O=Cc1cnco1 1P007RNX [1,0,0,0,0,0|1,1,0]=3 222 B7R1.1 O=Cc1cncs1 1P0001Y5 [1,0,0,0,0,0|1,0,0]=2 223 B7R1.1 O=Cc1cnns1 1P01SU11 [1,0,0,0,0,0|2,0,0]=3 224 B7R1.1 O=Cc1cnon1 1P01C3RF [1,0,0,0,0,0|3,0,0]=4 225 B7R1.1 O=Cc1cnsn1 1P005N99 [1,0,0,0,0,0|3,0,0]=4 226 B7R1.1 O=Cc1cocc1 1P003JYV [1,0,0,0,0,0|3,0,0]=4 227 B7R1.1 O=Cc1cocn1 1P0039FC [1,0,0,0,0,0|3,0,0]=4 228 B7R1.1 O=Cc1conc1 1P00EAG3 [1,0,0,0,0,0|3,0,0]=4 229 B7R1.1 O=Cc1cscc1 1P00348X [1,0,0,0,0,0|3,0,0]=4 230 B7R1.1 O=Cc1cscn1 1P007D9X [1,0,0,0,0,0|3,0,0]=4 231 B7R1.1 O=Cc1csnc1 1P005H6H [1,0,0,0,0,0|3,0,0]=4 232 B7R1.1 O=Cc1nccs1 1P0006QL [1,0,0,0,0,0|3,0,0]=4 233 B7R1.1 O=Cc1ncn[nH]1 1P00CJAB [1,0,0,0,0,0|3,0,0]=4 234 B7R1.1 O=Cc1nncs1 1P001KQO [1,0,0,0,0,0|2,0,0]=3 235 B7R1.1 OCc1cccs1 1P003BQJ [1,0,0,0,0,0|2,0,1]=4 236 B7R1.1 OCc1cnco1 1P000X8T [1,0,0,0,0,0|1,1,1]=4 237 B7R1.1 OCc1cncs1 1P0034R1 [1,0,0,0,0,0|1,0,1]=3 238 B7R1.1 OCc1cnns1 1P008RO7 [1,0,0,0,0,0|2,0,1]=4 239 B7R1.1 OCc1nncs1 1P00E8XG [1,0,0,0,0,0|2,0,1]=4 240 B7R1.1 SCc1cccs1 1P003IEO [1,0,0,0,0,0|2,0,1]=4 241 B7R1.1 SCc1cncs1 1P028027 [1,0,0,0,0,0|1,0,1]=3 242 B7R1.1 c1ncoc1C#N 1P00FEG2 [1,0,0,0,0,0|1,1,1]=4 243 B7R1.1 c1ncsc1C#N 1P007MOG [1,0,0,0,0,0|1,0,1]=3 244 B7R1.4 Brc1[nH]cnc1Br 1P002MDA [1,0,0,0,0,0|3,0,0]=4 245 B7R1.4 Brc1c[nH]nc1C 1P0018FJ [1,0,0,0,0,0|3,0,0]=4 246 B7R1.4 Brc1ccoc1C 1P004W05 [1,0,0,0,0,0|3,0,0]=4 247 B7R1.4 Brc1ccsc1C 1P00307X [1,0,0,0,0,0|2,0,1]=4 248 B7R1.4 Brc1ccsc1Cl 1P003JGW [1,0,0,0,0,0|3,0,0]=4 249 B7R1.4 Brc1ccsc1I 1P00EIUZ [1,0,0,0,0,0|3,0,0]=4 250 B7R1.4 Brc1conc1C 1P008Z60 [1,0,0,0,0,0|3,0,0]=4 251 B7R1.4 Brc1csnc1C 1P006JMD [1,0,0,0,0,0|3,0,0]=4 252 B7R1.4 Brc1ncoc1C 1P023P88 [1,0,0,0,0,0|1,1,1]=4 253 B7R1.4 Brc1ncsc1C 1P0010UV [1,0,0,0,0,0|1,0,1]=3 254 B7R1.4 Brc1nnsc1N 1P028EOP [1,0,0,0,0,0|3,0,0]=4 255 B7R1.4 Brc1sccc1Br 1P0033E9 [1,0,0,0,0,0|3,0,0]=4 256 B7R1.4 Brc1scnc1Br 1P005MHD [1,0,0,0,0,0|2,0,0]=3 257 B7R1.4 CN1N=CCC1=O 1P0007PE [1,0,0,0,0,0|3,0,0]=4 258 B7R1.4 Cc1[nH]ccc1C 1P0037Y2 [1,0,0,0,0,0|1,0,2]=4 259 B7R1.4 Cc1[nH]cnc1C 1P002MD8 [1,0,0,0,0,0|1,0,1]=3 260 B7R1.4 Cc1[nH]cnc1C 1P00I9ZF [1,0,0,0,0,0|1,0,1]=3 261 B7R1.4 Cc1[nH]cnc1C 1P00IEBV [1,0,0,0,0,0|1,0,1]=3 262 B7R1.4 Cc1ccsc1Br 1P003H3U [1,0,0,0,0,0|2,0,0]=3 263 B7R1.4 Cc1ccsc1Cl 1P003HCL [1,0,0,0,0,0|2,0,0]=3 264 B7R1.4 Cc1ccsc1I 1P001VNK [1,0,0,0,0,0|2,0,0]=3 265 B7R1.4 Cc1ccsc1S 1P01BKP7 [1,0,0,0,0,0|2,0,0]=3 266 B7R1.4 Cc1cnsc1Br 1P00DK9L [1,0,0,0,0,0|3,0,0]=4 267 B7R1.4 Cc1cnsc1N 1P028G8J [1,0,0,0,0,0|3,0,0]=4 268 B7R1.4 Cc1n[nH]cc1C 1P0028XH [1,0,0,0,0,0|2,0,1]=4 269 B7R1.4 Cc1n[nH]cc1C 1P007LJF [1,0,0,0,0,0|2,0,1]=4 270 B7R1.4 Cc1nc[nH]c1Br 1P001QH3 [1,0,0,0,0,0|2,0,0]=3 271 B7R1.4 Cc1nc[nH]c1I 1P001QH4 [1,0,0,0,0,0|2,0,0]=3 272 B7R1.4 Cc1nc[nH]c1N 1P003L6T [1,0,0,0,0,0|2,0,0]=3 273 B7R1.4 Cc1ncoc1Br 1P01B34H [1,0,0,0,0,0|1,1,0]=3 274 B7R1.4 Cc1ncsc1Br 1P0034OT [1,0,0,0,0,0|1,0,0]=2 275 B7R1.4 Cc1ncsc1N 1P00FWA1 [1,0,0,0,0,0|1,0,0]=2 276 B7R1.4 Cc1ncsc1N 1P01B26U [1,0,0,0,0,0|1,0,0]=2 277 B7R1.4 Cc1nn[nH]c1Br 1P0034OS [1,0,0,0,0,0|3,0,0]=4 278 B7R1.4 Cc1nn[nH]c1N 1P01B5US [1,0,0,0,0,0|3,0,0]=4 279 B7R1.4 Cc1nnsc1Cl 1P00DDJZ [1,0,0,0,0,0|2,0,0]=3 280 B7R1.4 Cc1nnsc1N 1P01DX13 [1,0,0,0,0,0|2,0,0]=3 281 B7R1.4 Cc1nonc1C 1P00DD7H [1,0,0,0,0,0|2,0,1]=4 282 B7R1.4 Cc1occc1C 1P001LXH [1,0,0,0,0,0|1,1,1]=4 283 B7R1.4 Cc1ocnc1C 1P002J27 [1,0,0,0,0,0|0,1,1]=3 284 B7R1.4 Cc1s[c-]nc1C 1P00GSB6 [1,0,0,0,0,0|0,0,2]=3 285 B7R1.4 Cc1scnc1C 1P0034BY [1,0,0,0,0,0|0,0,1]=2 286 B7R1.4 Clc1[nH]cnc1Cl 1P001RQZ [1,0,0,0,0,0|3,0,0]=4 287 B7R1.4 Clc1c[nH]nc1C 1P001RBU [1,0,0,0,0,0|3,0,0]=4 288 B7R1.4 Clc1ccsc1Br 1P005RPO [1,0,0,0,0,0|3,0,0]=4 289 B7R1.4 Clc1ccsc1C 1P007WBT [1,0,0,0,0,0|2,0,1]=4 290 B7R1.4 Clc1ccsc1I 1P01BK8D [1,0,0,0,0,0|3,0,0]=4 291 B7R1.4 Clc1nc[nH]c1Br 1P0020H3 [1,0,0,0,0,0|3,0,0]=4 292 B7R1.4 Clc1nc[nH]c1C 1P004LHE [1,0,0,0,0,0|2,0,1]=4 293 B7R1.4 Clc1sccc1Cl 1P003FYK [1,0,0,0,0,0|3,0,0]=4 294 B7R1.4 Cn1ccnc1C 1P001ZQM [1,0,0,0,0,0|2,0,1]=4 295 B7R1.4 Cn1ccsc1=N 1P00DCG7 [1,0,0,0,0,0|3,0,0]=4 296 B7R1.4 Cn1nc[nH]c1=S 1P01A79Q [1,0,0,0,0,0|3,0,0]=4 297 B7R1.4 Cn1nccc1Br 1P0038FI [1,0,0,0,0,0|3,0,0]=4 298 B7R1.4 Cn1nccc1C 1P005MKD [1,0,0,0,0,0|2,0,1]=4 299 B7R1.4 Cn1nccc1Cl 1P00CL8T [1,0,0,0,0,0|3,0,0]=4 300 B7R1.4 Cn1nccc1I 1P00C8NB [1,0,0,0,0,0|3,0,0]=4 301 B7R1.4 Cn1nccc1N 1P000ISJ [1,0,0,0,0,0|3,0,0]=4 302 B7R1.4 Cn1nccc1O 1P003AIK [1,0,0,0,0,0|3,0,0]=4 303 B7R1.4 Cn1nccc1O 1P003EXW [1,0,0,0,0,0|3,0,0]=4 304 B7R1.4 Cn1ncnc1Br 1P00AKQQ [1,0,0,0,0,0|3,0,0]=4 305 B7R1.4 Cn1ncnc1C 1P027VPU [1,0,0,0,0,0|2,0,1]=4 306 B7R1.4 Cn1ncnc1Cl 1P00F0NH [1,0,0,0,0,0|3,0,0]=4 307 B7R1.4 Cn1ncnc1N 1P001QBF [1,0,0,0,0,0|3,0,0]=4 308 B7R1.4 Fc1ccsc1Cl 1P028ZDK [1,0,0,0,0,0|3,0,0]=4 309 B7R1.4 Fc1ccsc1I 1P027VPP [1,0,0,0,0,0|3,0,0]=4 310 B7R1.4 Fc1nc[nH]c1Br 1P00I1OI [1,0,0,0,0,0|3,0,0]=4 311 B7R1.4 Ic1[nH]cnc1I 1P001QH2 [1,0,0,0,0,0|3,0,0]=4 312 B7R1.4 Ic1c[nH]nc1C 1P001QDK [1,0,0,0,0,0|3,0,0]=4 313 B7R1.4 Ic1ccsc1Br 1P00BGJV [1,0,0,0,0,0|3,0,0]=4 314 B7R1.4 Ic1ncoc1C 1P028TLC [1,0,0,0,0,0|1,1,1]=4 315 B7R1.4 Ic1sccc1I 1P002GL1 [1,0,0,0,0,0|3,0,0]=4 316 B7R1.4 Nc1c[nH]nc1C 1P000JZM [1,0,0,0,0,0|3,0,0]=4 317 B7R1.4 Nc1c[nH]nc1C 1P007B6V [1,0,0,0,0,0|3,0,0]=4 318 B7R1.4 Nc1ccsc1Br 1P00IKUH [1,0,0,0,0,0|3,0,0]=4 319 B7R1.4 Nc1ccsc1C 1P01BRMN [1,0,0,0,0,0|2,0,1]=4 320 B7R1.4 Nc1ccsc1Cl 1P01AGQV [1,0,0,0,0,0|3,0,0]=4 321 B7R1.4 Nc1conc1C 1P00CJB5 [1,0,0,0,0,0|3,0,0]=4 322 B7R1.4 Nc1conc1C 1P01C5S8 [1,0,0,0,0,0|3,0,0]=4 323 B7R1.4 Nc1csnc1C 1P01EIGO [1,0,0,0,0,0|3,0,0]=4 324 B7R1.4 Nc1ncsc1C 1P01BVRP [1,0,0,0,0,0|1,0,1]=3 325 B7R1.4 Nc1ncsc1C 1P01BVRQ [1,0,0,0,0,0|1,0,1]=3 326 B7R1.4 Nc1nonc1C 1P00255Q [1,0,0,0,0,0|3,0,0]=4 327 B7R1.4 Sc1ccoc1C 1P002W7D [1,0,0,0,0,0|3,0,0]=4 328 B9R1.14 BrCc1ccsc1C#N 1P01DXEP [0,1,0,0,0,0|2,0,1]=4 329 B9R1.14 CCc1ccoc1C=O 1P0290NY [0,1,0,0,0,0|2,1,0]=4 330 B9R1.14 CCc1ccsc1C=O 1P028DVB [0,1,0,0,0,0|2,0,0]=3 331 B9R1.14 CCc1ccsc1CN 1P019ZOJ [0,1,0,0,0,0|2,0,1]=4 332 B9R1.14 CCc1n[nH]cc1C=O 1P0281EV [0,1,0,0,0,0|3,0,0]=4 333 B9R1.14 CCc1ncoc1C=O 1P021TOD [0,1,0,0,0,0|1,1,0]=3 334 B9R1.14 CCc1ncoc1CN 1P028187 [0,1,0,0,0,0|1,1,1]=4 335 B9R1.14 CCc1nnsc1C=O 1P02922K [0,1,0,0,0,0|2,0,0]=3 336 B9R1.14 CCc1nnsc1CN 1P0282MB [0,1,0,0,0,0|2,0,1]=4 337 B9R1.14 CCc1nocc1C=O 1P01AMGW [0,1,0,0,0,0|3,0,0]=4 338 B9R1.14 CCc1nonc1C=O 1P028F18 [0,1,0,0,0,0|3,0,0]=4 339 B9R1.14 COc1ccoc1C=O 1P00CJRR [0,1,0,0,0,0|2,1,0]=4 340 B9R1.14 COc1ccsc1C=O 1P00C8VH [0,1,0,0,0,0|2,0,0]=3 341 B9R1.14 COc1n[nH]cc1C=O 1P009BLZ [0,1,0,0,0,0|3,0,0]=4 342 B9R1.14 COc1sccc1C=O 1P00IL70 [0,1,0,0,0,0|3,0,0]=4 343 B9R1.14 O=Cc1ccnn1CC 1P006TRX [0,1,0,0,0,0|3,0,0]=4 344 B9R1.14 O=Cc1nccn1C=C 1P00FS4N [0,1,0,0,0,0|2,0,1]=4 345 B9R1.14 O=Cc1ncnn1CC 1P006EWE [0,1,0,0,0,0|3,0,0]=4 346 B9R1.14 O=Cc1sccc1C#C 1P00CGRH [0,1,0,0,0,0|2,0,1]=4 347 B9R1.14 O=Cc1sccc1C#N 1P00CKX1 [0,1,0,0,0,0|2,0,1]=4 348 B9R1.14 O=Cc1sccc1C=O 1P003G1V [0,1,0,0,0,0|2,0,1]=4 349 B9R1.14 O=Cc1scnc1C#C 1P027XVY [0,1,0,0,0,0|1,0,1]=3 350 B9R1.14 OCc1[nH]cnc1CO 1P003BW6 [0,1,0,0,0,0|2,0,1]=4 351 B9R1.14 OCc1ccsc1C=O 1P0293BX [0,1,0,0,0,0|2,0,0]=3 352 B9R1.14 OCc1nccn1C=C 1P019V6Y [0,1,0,0,0,0|2,0,0]=3 353 B9R1.14 OCc1sccc1CO 1P00HT47 [0,1,0,0,0,0|2,0,1]=4 354 B9R1.22 BrCc1sc(nc1Br)C 1P00I0FT [0,1,0,0,0,0|2,0,1]=4 355 B9R1.22 BrCc1sc(nc1C)Br 1P028IRT [0,1,0,0,0,0|1,0,1]=3 356 B9R1.22 C#Cc1sc(nc1C)C 1P004PXH [0,1,0,0,0,0|0,0,2]=3 357 B9R1.22 CCc1sc(nc1C)N 1P00IBDM [0,1,0,0,0,0|0,0,2]=3 358 B9R1.22 COc1sc(nc1I)C 1P028K9N [0,1,0,0,0,0|2,0,1]=4 359 B9R1.22 CSc1sc(nc1C)N 1P01A8DJ [0,1,0,0,0,0|1,0,1]=3 360 B9R1.22 ClCc1oc(nc1C)C 1P00493Z [0,1,0,0,0,0|1,1,1]=4 361 B9R1.22 ClCc1sc(nc1C)C 1P00J22D [0,1,0,0,0,0|1,0,1]=3 362 B9R1.22 ClCc1sc(nc1C)C 1P00J3OL [0,1,0,0,0,0|1,0,1]=3 363 B9R1.22 Cn1nc(cc1C=O)Br 1P01BG56 [0,1,0,0,0,0|3,0,0]=4 364 B9R1.22 Cn1nc(cc1C=O)C 1P002QOA [0,1,0,0,0,0|3,0,0]=4 365 B9R1.22 Cn1nc(cc1C=O)Cl 1P00BJZY [0,1,0,0,0,0|3,0,0]=4 366 B9R1.22 Cn1nc(cc1C=O)I 1P01KVOR [0,1,0,0,0,0|3,0,0]=4 367 B9R1.22 Cn1nc(nc1C=O)Br 1P01APC1 [0,1,0,0,0,0|3,0,0]=4 368 B9R1.22 Cn1nc(nc1C=O)C 1P021MXO [0,1,0,0,0,0|3,0,0]=4 369 B9R1.22 N#Cc1oc(nc1C)Br 1P00244H [0,1,0,0,0,0|1,1,1]=4 370 B9R1.22 N#Cc1sc(nc1C)Br 1P01JHFP [0,1,0,0,0,0|1,0,1]=3 371 B9R1.22 N#Cc1sc(nc1C)N 1P00FGN5 [0,1,0,0,0,0|1,0,1]=3 372 B9R1.22 N#Cc1sc(nc1C)N 1P01A63N [0,1,0,0,0,0|1,0,1]=3 373 B9R1.22 N#Cc1sc(nc1Cl)Cl 1P004ZMN [0,1,0,0,0,0|2,0,1]=4 374 B9R1.22 N#Cc1sc(nc1Cl)N 1P009JOP [0,1,0,0,0,0|2,0,1]=4 375 B9R1.22 N#Cc1sc(nc1N)N 1P01B9Z1 [0,1,0,0,0,0|2,0,1]=4 376 B9R1.22 NCc1oc(nc1C)C 1P01BAHZ [0,1,0,0,0,0|1,1,1]=4 377 B9R1.22 NCc1oc(nc1C)C 1P01C515 [0,1,0,0,0,0|1,1,1]=4 378 B9R1.22 NCc1sc(cc1C)C 1P028DZS [0,1,0,0,0,0|2,0,1]=4 379 B9R1.22 NCc1sc(nc1C)Br 1P00249G [0,1,0,0,0,0|1,0,1]=3 380 B9R1.22 NCc1sc(nc1C)Br 1P02908E [0,1,0,0,0,0|1,0,1]=3 381 B9R1.22 NCc1sc(nc1C)C 1P00ACBJ [0,1,0,0,0,0|1,0,1]=3 382 B9R1.22 NCc1sc(nc1C)C 1P00HF26 [0,1,0,0,0,0|1,0,1]=3 383 B9R1.22 NCc1sc(nc1Cl)Cl 1P027ZTR [0,1,0,0,0,0|2,0,1]=4 384 B9R1.22 O=Cc1[nH]c(cc1C)C 1P00389A [0,1,0,0,0,0|3,0,0]=4 385 B9R1.22 O=Cc1[nH]c(nc1Br)C 1P01B8DD [0,1,0,0,0,0|3,0,0]=4 386 B9R1.22 O=Cc1cc([nH]c1C)C 1P00C2KS [0,1,0,0,0,0|2,0,1]=4 387 B9R1.22 O=Cc1cc(oc1C)C 1P01A4CI [0,1,0,0,0,0|3,0,0]=4 388 B9R1.22 O=Cc1cc(sc1C)Br 1P028PW0 [0,1,0,0,0,0|3,0,0]=4 389 B9R1.22 O=Cc1cc(sc1C)C 1P002TMF [0,1,0,0,0,0|3,0,0]=4 390 B9R1.22 O=Cc1cc(sc1C)Cl 1P01EMSD [0,1,0,0,0,0|3,0,0]=4 391 B9R1.22 O=Cc1cn(nc1C)C 1P002QO7 [0,1,0,0,0,0|3,0,0]=4 392 B9R1.22 O=Cc1nc([nH]c1C)C 1P0033GC [0,1,0,0,0,0|2,0,1]=4 393 B9R1.22 O=Cc1nc(oc1C)Br 1P000LXQ [0,1,0,0,0,0|3,0,0]=4 394 B9R1.22 O=Cc1nc(oc1C)C 1P006KTE [0,1,0,0,0,0|3,0,0]=4 395 B9R1.22 O=Cc1nc(sc1C)N 1P00E7QC [0,1,0,0,0,0|3,0,0]=4 396 B9R1.22 O=Cc1nn(nc1C)C 1P00CYR7 [0,1,0,0,0,0|3,0,0]=4 397 B9R1.22 O=Cc1oc(nc1C)C 1P005M8R [0,1,0,0,0,0|1,1,0]=3 398 B9R1.22 O=Cc1sc(=O)[nH]c1Cl 1P00DGGA [0,1,0,0,0,0|2,0,1]=4 399 B9R1.22 O=Cc1sc(cc1Br)Br 1P002OLQ [0,1,0,0,0,0|3,0,0]=4 400 B9R1.22 O=Cc1sc(cc1Br)C 1P00C17E [0,1,0,0,0,0|3,0,0]=4 401 B9R1.22 O=Cc1sc(cc1Br)Cl 1P00I8DM [0,1,0,0,0,0|3,0,0]=4 402 B9R1.22 O=Cc1sc(cc1Br)I 1P023SSR [0,1,0,0,0,0|3,0,0]=4 403 B9R1.22 O=Cc1sc(cc1C)Br 1P003MZ7 [0,1,0,0,0,0|2,0,0]=3 404 B9R1.22 O=Cc1sc(cc1C)C 1P004XBO [0,1,0,0,0,0|2,0,0]=3 405 B9R1.22 O=Cc1sc(cc1Cl)Br 1P00HY94 [0,1,0,0,0,0|3,0,0]=4 406 B9R1.22 O=Cc1sc(cc1Cl)Cl 1P027WMT [0,1,0,0,0,0|3,0,0]=4 407 B9R1.22 O=Cc1sc(cc1Cl)I 1P028AKN [0,1,0,0,0,0|3,0,0]=4 408 B9R1.22 O=Cc1sc(cc1I)Br 1P027XYX [0,1,0,0,0,0|3,0,0]=4 409 B9R1.22 O=Cc1sc(cc1I)Cl 1P028BTY [0,1,0,0,0,0|3,0,0]=4 410 B9R1.22 O=Cc1sc(nc1Br)Br 1P001BXN [0,1,0,0,0,0|2,0,0]=3 411 B9R1.22 O=Cc1sc(nc1C)Br 1P00H5XF [0,1,0,0,0,0|1,0,0]=2 412 B9R1.22 O=Cc1sc(nc1C)C 1P003GBF [0,1,0,0,0,0|1,0,0]=2 413 B9R1.22 O=Cc1sc(nc1C)Cl 1P00BK61 [0,1,0,0,0,0|1,0,0]=2 414 B9R1.22 O=Cc1sc(nc1Cl)Br 1P01BVEA [0,1,0,0,0,0|2,0,0]=3 415 B9R1.22 O=Cc1sc(nc1Cl)Cl 1P003G7B [0,1,0,0,0,0|2,0,0]=3 416 B9R1.22 O=Cc1sc(nc1Cl)I 1P028P4W [0,1,0,0,0,0|2,0,0]=3 417 B9R1.22 O=Cc1sc(nc1Cl)N 1P008P54 [0,1,0,0,0,0|2,0,0]=3 418 B9R1.22 OCc1oc(nc1C)Br 1P021U2A [0,1,0,0,0,0|1,1,1]=4 419 B9R1.22 OCc1oc(nc1C)C 1P00C2BF [0,1,0,0,0,0|1,1,1]=4 420 B9R1.22 OCc1sc(nc1Br)Br 1P00AMFW [0,1,0,0,0,0|2,0,1]=4 421 B9R1.22 OCc1sc(nc1C)Br 1P01EEJR [0,1,0,0,0,0|1,0,1]=3 422 B9R1.22 OCc1sc(nc1C)C 1P00DEJM [0,1,0,0,0,0|1,0,1]=3 423 B9R1.22 OCc1sc(nc1C)Cl 1P01CAM6 [0,1,0,0,0,0|1,0,1]=3 424 B9R1.22 OCc1sc(nc1Cl)Cl 1P00ACOJ [0,1,0,0,0,0|2,0,1]=4 425 B9R1.27 BrCc1c(C)ncn1C 1P028S60 [0,1,0,0,0,0|2,0,1]=4 426 B9R1.27 C=Cc1c(C)noc1C 1P01GKGY [0,1,0,0,0,0|2,0,0]=3 427 B9R1.27 Cn1cnc(c1C=O)Br 1P001H0T [0,1,0,0,0,0|3,0,0]=4 428 B9R1.27 Cn1cnc(c1C=O)Cl 1P028K0Y [0,1,0,0,0,0|3,0,0]=4 429 B9R1.27 Cn1cnc(c1C=O)I 1P002I5M [0,1,0,0,0,0|3,0,0]=4 430 B9R1.27 Cn1ncc(c1C=O)Br 1P00396R [0,1,0,0,0,0|3,0,0]=4 431 B9R1.27 Cn1ncc(c1C=O)Cl 1P006TRY [0,1,0,0,0,0|3,0,0]=4 432 B9R1.27 Cn1ncc(c1C=O)I 1P005WHF [0,1,0,0,0,0|3,0,0]=4 433 B9R1.27 Cn1ncc(c1C=O)O 1P027VBR [0,1,0,0,0,0|3,0,0]=4 434 B9R1.27 O=Cc1c(Br)[nH]nc1C 1P0286AD [0,1,0,0,0,0|3,0,0]=4 435 B9R1.27 O=Cc1c(C)cnn1C 1P00J2CU [0,1,0,0,0,0|3,0,0]=4 436 B9R1.27 O=Cc1c(C)n[nH]c1C 1P002DMH [0,1,0,0,0,0|3,0,0]=4 437 B9R1.27 O=Cc1c(C)ncn1C 1P00BZDE [0,1,0,0,0,0|2,0,0]=3 438 B9R1.27 O=Cc1c(C)nnn1C 1P01C9W6 [0,1,0,0,0,0|3,0,0]=4 439 B9R1.27 O=Cc1c(C)noc1C 1P003J59 [0,1,0,0,0,0|3,0,0]=4 440 B9R1.27 O=Cc1c(C)nsc1C 1P028O1B [0,1,0,0,0,0|3,0,0]=4 441 B9R1.27 O=Cc1c(Cl)onc1C 1P01A224 [0,1,0,0,0,0|3,0,0]=4 442 B9R1.27 O=Cc1c(N)onc1C 1P01C82W [0,1,0,0,0,0|3,0,0]=4 443 B9R1.27 O=Cc1c(O)[nH]nc1C 1P00DDP9 [0,1,0,0,0,0|3,0,0]=4 444 B9R1.33 CCOc1ocnc1C 1P006WTJ [0,1,0,0,0,0|0,1,2]=4 445 B9R1.33 CNCc1ocnc1C 1P028NKW [0,1,0,0,0,0|0,1,2]=4 446 B9R1.33 CNCc1sccc1C 1P00IECX [0,1,0,0,0,0|1,0,2]=4 447 B9R1.33 CNCc1scnc1C 1P00GSXT [0,1,0,0,0,0|0,0,2]=3 448 B9R1.33 CNCc1snnc1C 1P007EL3 [0,1,0,0,0,0|1,0,2]=4 449 B9R1.33 Cc1ncsc1CC#N 1P01AUTZ [0,1,0,0,0,0|0,0,2]=3 450 B9R1.33 Cc1ncsc1CCBr 1P00FGP2 [0,1,0,0,0,0|0,0,2]=3 451 B9R1.33 Cc1ncsc1CCCl 1P00DEHU [0,1,0,0,0,0|0,0,2]=3 452 B9R1.33 Cc1ncsc1CCCl 1P00EGCT [0,1,0,0,0,0|0,0,2]=3 453 B9R1.33 Cc1ncsc1CCN 1P00EDQY [0,1,0,0,0,0|0,0,2]=3 454 B9R1.33 Cc1ncsc1CCO 1P00135B [0,1,0,0,0,0|0,0,2]=3 455 B9R1.33 Cn1nccc1C=NO 1P02881C [0,1,0,0,0,0|3,0,0]=4 456 B9R1.33 Cn1nccc1CC=C 1P01ANCA [0,1,0,0,0,0|2,0,0]=3 457 B9R1.33 Cn1ncnc1C=NO 1P028WOO [0,1,0,0,0,0|3,0,0]=4 458 B9R1.33 NCCc1sccc1C 1P01A4W7 [0,1,0,0,0,0|1,0,2]=4 459 B9R1.33 NCCc1scnc1C 1P009A8D [0,1,0,0,0,0|0,0,2]=3 460 B9R1.33 NCCc1scnc1C 1P00J3UB [0,1,0,0,0,0|0,0,2]=3 461 B9R1.33 NCCc1scnc1C 1P019FER [0,1,0,0,0,0|0,0,2]=3 462 B9R1.33 O=C=Nc1sccc1C 1P0221T1 [0,1,0,0,0,0|2,0,1]=4 463 B9R1.33 O=CCc1sccc1C 1P01EMO8 [0,1,0,0,0,0|1,0,1]=3 464 B9R1.33 OCCc1sccc1C 1P01DW6N [0,1,0,0,0,0|1,0,2]=4 465 B9R1.33 ON=Cc1sccc1Br 1P01C24D [0,1,0,0,0,0|3,0,0]=4 466 B9R1.41 CC(=O)c1c[nH]nc1C 1P00941L [0,1,0,0,0,0|2,0,1]=4 467 B9R1.41 CC(=O)c1ccnn1C 1P0014IM [0,1,0,0,0,0|2,0,1]=4 468 B9R1.41 CC(=O)c1conc1C 1P00ETLU [0,1,0,0,0,0|2,0,1]=4 469 B9R1.41 CC(=O)c1csnc1C 1P01DWPQ [0,1,0,0,0,0|2,0,1]=4 470 B9R1.41 CC(=O)c1ncnn1C 1P008UEN [0,1,0,0,0,0|2,0,1]=4 471 B9R1.41 CC(=O)c1ncsc1C 1P01EC4G [0,1,0,0,0,0|2,0,1]=4 472 B9R1.41 CC(=O)c1nonc1C 1P00ADDZ [0,1,0,0,0,0|2,0,1]=4 473 B9R1.41 CC(=O)c1occc1C 1P000VSJ [0,1,0,0,0,0|1,1,1]=4 474 B9R1.41 CC(=O)c1sccc1Br 1P00C0VH [0,1,0,0,0,0|2,0,1]=4 475 B9R1.41 CC(=O)c1sccc1C 1P0012U9 [0,1,0,0,0,0|1,0,1]=3 476 B9R1.41 CC(=O)c1sccc1Cl 1P003GRL [0,1,0,0,0,0|2,0,1]=4 477 B9R1.41 CC(=O)c1sccc1O 1P00DEZ7 [0,1,0,0,0,0|2,0,1]=4 478 B9R1.41 CC(=O)c1scnc1Br 1P01BYF4 [0,1,0,0,0,0|1,0,1]=3 479 B9R1.41 CC(=O)c1scnc1C 1P00C8WG [0,1,0,0,0,0|0,0,1]=2 480 B9R1.41 CC(=O)c1scnc1Cl 1P024HPG [0,1,0,0,0,0|1,0,1]=3 481 B9R1.41 CC(=O)c1snnc1C 1P00BQB1 [0,1,0,0,0,0|1,0,1]=3 482 B9R1.41 CC(c1sccc1C)O 1P01BDHR [0,1,0,0,0,0|1,0,2]=4 483 B9R1.41 CC(c1scnc1C)N 1P028U0B [0,1,0,0,0,0|0,0,2]=3 484 B9R1.41 CC(c1scnc1C)O 1P006ZA8 [0,1,0,0,0,0|0,0,2]=3 485 B9R1.41 CC(c1scnc1N)C 1P01BCCN [0,1,0,0,0,0|1,0,2]=4 486 B9R1.41 CC(c1snnc1C)Br 1P01CAUU [0,1,0,0,0,0|1,0,2]=4 487 B9R1.41 CC(c1snnc1C)N 1P01DQSN [0,1,0,0,0,0|1,0,2]=4 488 B9R1.41 CC(c1snnc1C)O 1P01C7M1 [0,1,0,0,0,0|1,0,2]=4 489 B9R1.41 Cc1c(cc[nH]1)C(=O)O 1P00CJAR [0,1,0,0,0,0|2,0,1]=4 490 B9R1.41 Cc1c(nc[nH]1)C(=O)O 1P00J3V3 [0,1,0,0,0,0|2,0,1]=4 491 B9R1.41 Cc1cnsc1C(=O)O 1P001QUX [0,1,0,0,0,0|3,0,0]=4 492 B9R1.41 Cc1n[nH]cc1C(=O)O 1P0037YK [0,1,0,0,0,0|3,0,0]=4 493 B9R1.41 Cc1n[nH]nc1C(=O)O 1P00G5KT [0,1,0,0,0,0|3,0,0]=4 494 B9R1.41 Cc1nc[nH]c1C(=O)O 1P001DSJ [0,1,0,0,0,0|2,0,0]=3 495 B9R1.41 Cc1ncoc1C(=O)Cl 1P00EBHW [0,1,0,0,0,0|1,1,0]=3 496 B9R1.41 Cc1ncoc1C(=O)N 1P006WSN [0,1,0,0,0,0|1,1,0]=3 497 B9R1.41 Cc1ncoc1C(=O)O 1P002QXR [0,1,0,0,0,0|1,1,0]=3 498 B9R1.41 Cc1ncsc1C(=O)Cl 1P00DC0O [0,1,0,0,0,0|1,0,0]=2 499 B9R1.41 Cc1ncsc1C(=O)O 1P002A6Z [0,1,0,0,0,0|1,0,0]=2 500 B9R1.41 Cc1nocc1C(=O)N 1P01DVPN [0,1,0,0,0,0|3,0,0]=4 501 B9R1.41 Cc1nocc1C(=O)O 1P003481 [0,1,0,0,0,0|3,0,0]=4 502 B9R1.41 Cc1nonc1C(=O)Cl 1P007IYE [0,1,0,0,0,0|3,0,0]=4 503 B9R1.41 Cc1nonc1C(=O)O 1P00EECD [0,1,0,0,0,0|3,0,0]=4 504 B9R1.41 Cc1nscc1C(=O)O 1P001QW4 [0,1,0,0,0,0|3,0,0]=4 505 B9R1.41 Cc1nsnc1C(=O)O 1P00J2TS [0,1,0,0,0,0|3,0,0]=4 506 B9R1.41 Cc1occc1C(=N)N 1P00A7RN [0,1,0,0,0,0|3,0,0]=4 507 B9R1.41 Cc1occc1C(=O)O 1P003I5Y [0,1,0,0,0,0|3,0,0]=4 508 B9R1.41 Cc1ocnc1C(=O)O 1P003ND2 [0,1,0,0,0,0|3,0,0]=4 509 B9R1.41 Cc1sccc1C(=O)O 1P002FXW [0,1,0,0,0,0|3,0,0]=4 510 B9R1.41 Cc1scnc1C(=O)O 1P007QWB [0,1,0,0,0,0|3,0,0]=4 511 B9R1.41 ClC(=O)c1occc1C 1P007ONW [0,1,0,0,0,0|2,1,0]=4 512 B9R1.41 ClC(=O)c1sccc1C 1P003K8S [0,1,0,0,0,0|2,0,0]=3 513 B9R1.41 Cn1nccc1C(=N)N 1P028VLL [0,1,0,0,0,0|3,0,0]=4 514 B9R1.41 Cn1nccc1C(=O)Cl 1P004VXZ [0,1,0,0,0,0|3,0,0]=4 515 B9R1.41 Cn1nccc1C(=O)N 1P00JE4T [0,1,0,0,0,0|3,0,0]=4 516 B9R1.41 Cn1nccc1C(=O)O 1P001SBJ [0,1,0,0,0,0|3,0,0]=4 517 B9R1.41 Cn1nccc1C(=S)N 1P01B6QC [0,1,0,0,0,0|3,0,0]=4 518 B9R1.41 Cn1ncnc1C(=O)O 1P00G60U [0,1,0,0,0,0|3,0,0]=4 519 B9R1.41 Cn1ncnc1C(=S)N 1P028JWK [0,1,0,0,0,0|3,0,0]=4 520 B9R1.41 FC(c1scnc1C)F 1P01F5H0 [0,1,0,0,0,0|1,0,1]=3 521 B9R1.41 FC(c1scnc1Cl)F 1P01FLBQ [0,1,0,0,0,0|2,0,1]=4 522 B9R1.41 NC(=N)c1occc1C 1P01ACR5 [0,1,0,0,0,0|2,1,0]=4 523 B9R1.41 NC(=O)c1[nH]cnc1N 1P0034D4 [0,1,0,0,0,0|3,0,0]=4 524 B9R1.41 NC(=O)c1[nH]cnc1N 1P0034NM [0,1,0,0,0,0|3,0,0]=4 525 B9R1.41 NC(=O)c1c(O)nc[nH]1 1P00E9J7 [0,1,0,0,0,0|3,0,0]=4 526 B9R1.41 NC(=O)c1occc1C 1P01A9MR [0,1,0,0,0,0|2,1,0]=4 527 B9R1.41 NC(=O)c1sccc1C 1P003K8T [0,1,0,0,0,0|2,0,0]=3 528 B9R1.41 NC(=O)c1sccc1N 1P001F3L [0,1,0,0,0,0|3,0,0]=4 529 B9R1.41 NC(=O)c1snnc1C 1P0020Q8 [0,1,0,0,0,0|2,0,0]=3 530 B9R1.41 NC(=S)c1sccc1Br 1P00BE5L [0,1,0,0,0,0|3,0,0]=4 531 B9R1.41 NC(=S)c1sccc1C 1P00A8YW [0,1,0,0,0,0|2,0,0]=3 532 B9R1.41 OB(c1sccc1C)O 1P0025YZ [0,1,0,0,0,0|3,0,0]=4 533 B9R1.41 OC(=O)c1[nH]ccc1C 1P006BCT [0,1,0,0,0,0|3,0,0]=4 534 B9R1.41 OC(=O)c1c(Br)nc[nH]1 1P00JSC8 [0,1,0,0,0,0|3,0,0]=4 535 B9R1.41 OC(=O)c1c(Cl)nc[nH]1 1P020MPN [0,1,0,0,0,0|3,0,0]=4 536 B9R1.41 OC(=O)c1occc1C 1P003K7Z [0,1,0,0,0,0|2,1,0]=4 537 B9R1.41 OC(=O)c1ocnc1Br 1P021TPK [0,1,0,0,0,0|2,1,0]=4 538 B9R1.41 OC(=O)c1sccc1Br 1P0036HF [0,1,0,0,0,0|3,0,0]=4 539 B9R1.41 OC(=O)c1sccc1C 1P00347S [0,1,0,0,0,0|2,0,0]=3 540 B9R1.41 OC(=O)c1sccc1Cl 1P00392Q [0,1,0,0,0,0|3,0,0]=4 541 B9R1.41 OC(=O)c1sccc1F 1P00BYYA [0,1,0,0,0,0|3,0,0]=4 542 B9R1.41 OC(=O)c1sccc1I 1P0037XF [0,1,0,0,0,0|3,0,0]=4 543 B9R1.41 OC(=O)c1sccc1N 1P003JBB [0,1,0,0,0,0|3,0,0]=4 544 B9R1.41 OC(=O)c1sccc1O 1P00D9E3 [0,1,0,0,0,0|3,0,0]=4 545 B9R1.41 OC(=O)c1scnc1Br 1P000MK2 [0,1,0,0,0,0|2,0,0]=3 546 B9R1.41 OC(=O)c1scnc1Cl 1P00DL89 [0,1,0,0,0,0|2,0,0]=3 547 B9R1.41 OC(=O)c1scnc1I 1P027VG4 [0,1,0,0,0,0|2,0,0]=3 548 B9R1.41 OC(=O)c1snnc1C 1P0023UB [0,1,0,0,0,0|2,0,0]=3 549 B9R1.41 [O-]C(=O)c1ncnn1C 1P01BVRA [0,1,0,0,0,0|3,0,0]=4 550 B9R1.41 [O-]C(=O)c1sccc1N 1P01T6ZE [0,1,0,0,0,0|3,0,0]=4 551 B9R1.41 [O-][N+](=O)c1c(C)nc[nH]1 1P001CFC [0,1,0,0,0,0|3,0,0]=4 552 B9R1.132 O=Cc1[nH]cc(c1C)C 1P002B22 [0,1,0,0,0,0|3,0,0]=4 553 B9R1.132 O=Cc1ncn(c1C)C 1P00CXPM [0,1,0,0,0,0|2,0,1]=4 554 B9R1.132 O=Cc1scc(c1Br)Br 1P003IWG [0,1,0,0,0,0|3,0,0]=4 555 B9R1.132 O=Cc1scc(c1C)Br 1P00BHE0 [0,1,0,0,0,0|2,0,0]=3 556 B9R1.132 O=Cc1scc(c1Cl)C 1P00HIYW [0,1,0,0,0,0|3,0,0]=4 557 B9R1.132 O=Cc1scc(c1Cl)Cl 1P01PDGL [0,1,0,0,0,0|3,0,0]=4 558 B9R2.3 C1Cc2c(C1)nc[nH]2 1P00HAT4 [0,0,0,1,0,0|1,0,2]=4 559 B9R2.3 C1Cc2c(C1)ncs2 1P00EGBX [0,0,0,1,0,0|0,0,2]=3 560 B9R2.3 N1Cc2c(C1)nc[nH]2 1P023PKI [0,0,0,1,0,0|2,0,1]=4 561 B9R2.3 N1Cc2c(C1)ncs2 1P00HXCR [0,0,0,1,0,0|1,0,1]=3 562 B9R2.3 N1Cc2c(C1)ncs2 1P01XA1V [0,0,0,1,0,0|1,0,1]=3 563 B9R2.3 N1Cc2c(C1)nns2 1P027Z1G [0,0,0,1,0,0|2,0,1]=4 564 B9R2.3 c1cc2c(o1)ccs2 1P028YSQ [0,0,0,1,0,0|2,0,0]=3 565 B9R2.3 c1cc2c(s1)ccs2 1P002QYA [0,0,0,1,0,0|2,0,0]=3 566 B9R2.3 c1cc2c(s1)scc2 1P002QLP [0,0,0,1,0,0|2,0,1]=4 567 B9R2.3 c1nc2c(s1)ncs2 1P002QY8 [0,0,0,1,0,0|2,0,0]=3 568 B9R2.3 c1nc2n(c1)cc[nH]2 1P028VQE [0,0,0,1,0,0|3,0,0]=4 569 B9R2.3 c1nc2n(c1)ccs2 1P002QY0 [0,0,0,1,0,0|3,0,0]=4 570 B9R2.3 c1sc2c(c1)cc[nH]2 1P00I58I [0,0,0,1,0,0|2,0,1]=4 571 B9R2.3 s1cc2c(c1)ccs2 1P002QLT [0,0,0,1,0,0|2,0,1]=4 572 B9R1.2 BrCc1ccnc(c1)C 1P01EM94 [0,0,0,0,0,1|2,0,1]=4 573 B9R1.2 Brc1cc(C=C)ncc1 1P00DMJL [0,0,0,0,0,1|3,0,0]=4 574 B9R1.2 Brc1cc(C=O)ncn1 1P01FSQP [0,0,0,0,0,1|3,0,0]=4 575 B9R1.2 C#Cc1ccnc(c1)C 1P0030IU [0,0,0,0,0,1|1,0,2]=4 576 B9R1.2 C=Cc1cccc(c1)Br 1P0029O1 [0,0,0,0,0,1|3,0,0]=4 577 B9R1.2 C=Cc1cccc(c1)C 1P0000ON [0,0,0,0,0,1|2,0,0]=3 578 B9R1.2 C=Cc1cccc(c1)Cl 1P0029O2 [0,0,0,0,0,1|3,0,0]=4 579 B9R1.2 C=Cc1cccc(c1)F 1P00BYPO [0,0,0,0,0,1|3,0,0]=4 580 B9R1.2 C=Cc1cccc(c1)I 1P00I98Z [0,0,0,0,0,1|3,0,0]=4 581 B9R1.2 C=Cc1cccc(c1)N 1P003KDV [0,0,0,0,0,1|3,0,0]=4 582 B9R1.2 C=Cc1cccc(c1)O 1P00EFDF [0,0,0,0,0,1|3,0,0]=4 583 B9R1.2 C=Cc1cccc(n1)Br 1P006IKD [0,0,0,0,0,1|3,0,0]=4 584 B9R1.2 C=Cc1cccc(n1)C 1P007C8U [0,0,0,0,0,1|2,0,0]=3 585 B9R1.2 C=Cc1cccc(n1)F 1P01DP5U [0,0,0,0,0,1|3,0,0]=4 586 B9R1.2 C=Cc1ccnc(c1)Br 1P0068I0 [0,0,0,0,0,1|2,0,0]=3 587 B9R1.2 C=Cc1ccnc(c1)F 1P00DKNA [0,0,0,0,0,1|2,0,0]=3 588 B9R1.2 CNc1ccnc(n1)C 1P00D1QH [0,0,0,0,0,1|2,0,1]=4 589 B9R1.2 CNc1ncnc(c1)C 1P00E31Y [0,0,0,0,0,1|2,0,1]=4 590 B9R1.2 COc1ccnc(c1)C 1P006XU2 [0,0,0,0,0,1|2,0,1]=4 591 B9R1.2 COc1ccnc(n1)C 1P005RCN [0,0,0,0,0,1|2,0,1]=4 592 B9R1.2 Cc1cc(C=C)cnc1 1P00DF2A [0,0,0,0,0,1|3,0,0]=4 593 B9R1.2 Cc1cc(C=C)ncc1 1P001BT8 [0,0,0,0,0,1|2,0,0]=3 594 B9R1.2 Cc1cc(C=O)ncc1 1P003M99 [0,0,0,0,0,1|3,0,0]=4 595 B9R1.2 Cc1cc(C=O)ncn1 1P009RCX [0,0,0,0,0,1|2,0,0]=3 596 B9R1.2 Cc1cc(CCl)ncn1 1P019D0O [0,0,0,0,0,1|2,0,1]=4 597 B9R1.2 Cc1cc(CN)ncn1 1P00K0GF [0,0,0,0,0,1|2,0,1]=4 598 B9R1.2 Cc1cc(CO)ncn1 1P005K5A [0,0,0,0,0,1|2,0,1]=4 599 B9R1.2 Cc1cc(NN)ncn1 1P00CYDB [0,0,0,0,0,1|3,0,0]=4 600 B9R1.2 Cc1ccnc(n1)C=O 1P00ILN9 [0,0,0,0,0,1|3,0,0]=4 601 B9R1.2 Cc1cncc(n1)C=C 1P007LEI [0,0,0,0,0,1|3,0,0]=4 602 B9R1.2 ClCc1ccnc(n1)C 1P00H1HD [0,0,0,0,0,1|2,0,1]=4 603 B9R1.2 Clc1cc(C=C)ncc1 1P0068T3 [0,0,0,0,0,1|3,0,0]=4 604 B9R1.2 Clc1cc(C=O)ncn1 1P019D1U [0,0,0,0,0,1|3,0,0]=4 605 B9R1.2 Fc1cc(C=C)ncc1 1P028XRN [0,0,0,0,0,1|3,0,0]=4 606 B9R1.2 N#Cc1ccnc(c1)C 1P0039CH [0,0,0,0,0,1|2,0,1]=4 607 B9R1.2 N#Cc1ccnc(n1)C 1P00EIVL [0,0,0,0,0,1|2,0,1]=4 608 B9R1.2 NCc1ccnc(c1)C 1P00A0HX [0,0,0,0,0,1|2,0,1]=4 609 B9R1.2 NCc1ccnc(c1)C 1P00IILX [0,0,0,0,0,1|2,0,1]=4 610 B9R1.2 NCc1ccnc(n1)C 1P00C4D0 [0,0,0,0,0,1|2,0,1]=4 611 B9R1.2 NCc1ccnc(n1)C 1P0285AS [0,0,0,0,0,1|2,0,1]=4 612 B9R1.2 NNc1ccnc(c1)C 1P00J221 [0,0,0,0,0,1|3,0,0]=4 613 B9R1.2 NNc1ccnc(c1)C 1P01BVOB [0,0,0,0,0,1|3,0,0]=4 614 B9R1.2 Nc1cc(C=C)ncc1 1P0006QG [0,0,0,0,0,1|3,0,0]=4 615 B9R1.2 O=Cc1cccc(c1)C 1P003K77 [0,0,0,0,0,1|3,0,0]=4 616 B9R1.2 O=Cc1cccc(n1)C 1P003NRK [0,0,0,0,0,1|3,0,0]=4 617 B9R1.2 O=Cc1ccnc(c1)Br 1P003H5M [0,0,0,0,0,1|3,0,0]=4 618 B9R1.2 O=Cc1ccnc(c1)C 1P0037DJ [0,0,0,0,0,1|2,0,0]=3 619 B9R1.2 O=Cc1ccnc(c1)Cl 1P000448 [0,0,0,0,0,1|3,0,0]=4 620 B9R1.2 O=Cc1ccnc(c1)Cl 1P000K6W [0,0,0,0,0,1|3,0,0]=4 621 B9R1.2 O=Cc1ccnc(c1)F 1P00104Q [0,0,0,0,0,1|3,0,0]=4 622 B9R1.2 O=Cc1ccnc(n1)C 1P0002D1 [0,0,0,0,0,1|2,0,0]=3 623 B9R1.2 O=Cc1ccnc(n1)Cl 1P00IIPN [0,0,0,0,0,1|3,0,0]=4 624 B9R1.2 OCc1ccnc(c1)C 1P007XDG [0,0,0,0,0,1|2,0,1]=4 625 B9R1.2 OCc1ccnc(n1)C 1P008T10 [0,0,0,0,0,1|2,0,1]=4 626 B9R1.15 BrCc1cccnc1C 1P0019R8 [0,0,0,0,0,1|2,0,1]=4 627 B9R1.15 BrCc1ccncc1C 1P01KKKR [0,0,0,0,0,1|2,0,1]=4 628 B9R1.15 BrCc1nccnc1C 1P027Z7H [0,0,0,0,0,1|2,0,1]=4 629 B9R1.15 C#Cc1cccnc1C 1P01DWS5 [0,0,0,0,0,1|1,0,2]=4 630 B9R1.15 C#Cc1ccncc1C 1P01QLIR [0,0,0,0,0,1|1,0,2]=4 631 B9R1.15 C#Cc1cncnc1C 1P029019 [0,0,0,0,0,1|1,0,2]=4 632 B9R1.15 C#Cc1nccnc1C 1P00C9LZ [0,0,0,0,0,1|1,0,2]=4 633 B9R1.15 C=Cc1ccccc1Br 1P0029NZ [0,0,0,0,0,1|3,0,0]=4 634 B9R1.15 C=Cc1ccccc1Cl 1P0029O0 [0,0,0,0,0,1|3,0,0]=4 635 B9R1.15 C=Cc1ccccc1F 1P0033SL [0,0,0,0,0,1|3,0,0]=4 636 B9R1.15 C=Cc1ccccc1I 1P006XAK [0,0,0,0,0,1|3,0,0]=4 637 B9R1.15 C=Cc1ccccc1N 1P0037RP [0,0,0,0,0,1|3,0,0]=4 638 B9R1.15 C=Cc1ccccc1N 1P00775F [0,0,0,0,0,1|3,0,0]=4 639 B9R1.15 C=Cc1cccnc1C 1P00I8ZR [0,0,0,0,0,1|1,0,0]=2 640 B9R1.15 C=Cc1cccnc1F 1P00HX8N [0,0,0,0,0,1|2,0,0]=3 641 B9R1.15 C=Cc1ccncc1Br 1P028WIA [0,0,0,0,0,1|2,0,0]=3 642 B9R1.15 C=Cc1ccncc1C 1P01C42S [0,0,0,0,0,1|1,0,0]=2 643 B9R1.15 C=Cc1ncccc1Br 1P004ZQ3 [0,0,0,0,0,1|3,0,0]=4 644 B9R1.15 C=Cc1ncccc1C 1P00CC7K [0,0,0,0,0,1|2,0,0]=3 645 B9R1.15 C=Cc1ncccc1F 1P01B626 [0,0,0,0,0,1|3,0,0]=4 646 B9R1.15 C=Cc1nccnc1C 1P002QRI [0,0,0,0,0,1|1,0,0]=2 647 B9R1.15 CCc1nccnc1C 1P001PNQ [0,0,0,0,0,1|1,0,2]=4 648 B9R1.15 CNc1cccnc1C 1P009SR0 [0,0,0,0,0,1|2,0,1]=4 649 B9R1.15 CNc1cccnc1C 1P01AM0N [0,0,0,0,0,1|2,0,1]=4 650 B9R1.15 CNc1cccnc1C 1P01FKVI [0,0,0,0,0,1|2,0,1]=4 651 B9R1.15 CNc1ccncc1C 1P01BE54 [0,0,0,0,0,1|2,0,1]=4 652 B9R1.15 CNc1nccnc1C 1P01IJES [0,0,0,0,0,1|2,0,1]=4 653 B9R1.15 COc1cccnc1C 1P002TI0 [0,0,0,0,0,1|2,0,1]=4 654 B9R1.15 COc1ccncc1C 1P00IKAY [0,0,0,0,0,1|2,0,1]=4 655 B9R1.15 COc1nccnc1C 1P002VX2 [0,0,0,0,0,1|2,0,1]=4 656 B9R1.15 COc1nccnc1C 1P00FAVU [0,0,0,0,0,1|2,0,1]=4 657 B9R1.15 COc1ncncc1C 1P00ALUB [0,0,0,0,0,1|2,0,1]=4 658 B9R1.15 CSc1nccnc1C 1P002X49 [0,0,0,0,0,1|2,0,1]=4 659 B9R1.15 ClCc1cccnc1C 1P00EKAT [0,0,0,0,0,1|2,0,1]=4 660 B9R1.15 ClCc1ccncc1C 1P008ZLU [0,0,0,0,0,1|2,0,1]=4 661 B9R1.15 ClCc1nccnc1C 1P001VYQ [0,0,0,0,0,1|2,0,1]=4 662 B9R1.15 N#Cc1cccnc1C 1P00APLN [0,0,0,0,0,1|2,0,1]=4 663 B9R1.15 N#Cc1ccncc1C 1P00G3UF [0,0,0,0,0,1|2,0,1]=4 664 B9R1.15 N#Cc1cncnc1C 1P000GBK [0,0,0,0,0,1|2,0,1]=4 665 B9R1.15 N#Cc1nccnc1C 1P00FAHW [0,0,0,0,0,1|2,0,1]=4 666 B9R1.15 N#Cc1ncncc1C 1P0092LL [0,0,0,0,0,1|2,0,1]=4 667 B9R1.15 NCc1cccnc1C 1P00EDWW [0,0,0,0,0,1|2,0,1]=4 668 B9R1.15 NCc1cccnc1C 1P00IAV8 [0,0,0,0,0,1|2,0,1]=4 669 B9R1.15 NCc1ccncc1C 1P00665P [0,0,0,0,0,1|2,0,1]=4 670 B9R1.15 NCc1ccncc1C 1P00IE0H [0,0,0,0,0,1|2,0,1]=4 671 B9R1.15 NCc1nccnc1C 1P00HYI0 [0,0,0,0,0,1|2,0,1]=4 672 B9R1.15 NCc1nccnc1C 1P01JUQD [0,0,0,0,0,1|2,0,1]=4 673 B9R1.15 NNc1cccnc1C 1P00IMPU [0,0,0,0,0,1|3,0,0]=4 674 B9R1.15 NNc1ccncc1C 1P008VKW [0,0,0,0,0,1|3,0,0]=4 675 B9R1.15 NNc1ccncc1C 1P01X5LC [0,0,0,0,0,1|3,0,0]=4 676 B9R1.15 NNc1nccnc1C 1P002C0X [0,0,0,0,0,1|3,0,0]=4 677 B9R1.15 O=Cc1ccccc1C 1P0032QN [0,0,0,0,0,1|3,0,0]=4 678 B9R1.15 O=Cc1cccnc1Br 1P000Y70 [0,0,0,0,0,1|3,0,0]=4 679 B9R1.15 O=Cc1cccnc1C 1P00EDM2 [0,0,0,0,0,1|2,0,0]=3 680 B9R1.15 O=Cc1cccnc1Cl 1P003HC8 [0,0,0,0,0,1|3,0,0]=4 681 B9R1.15 O=Cc1cccnc1F 1P003991 [0,0,0,0,0,1|3,0,0]=4 682 B9R1.15 O=Cc1cccnc1N 1P0033JT [0,0,0,0,0,1|3,0,0]=4 683 B9R1.15 O=Cc1cccnc1O 1P01XDHM [0,0,0,0,0,1|3,0,0]=4 684 B9R1.15 O=Cc1ccncc1Br 1P003JII [0,0,0,0,0,1|3,0,0]=4 685 B9R1.15 O=Cc1ccncc1C 1P005AUA [0,0,0,0,0,1|2,0,0]=3 686 B9R1.15 O=Cc1ccncc1Cl 1P003JOU [0,0,0,0,0,1|3,0,0]=4 687 B9R1.15 O=Cc1ccncc1F 1P003463 [0,0,0,0,0,1|3,0,0]=4 688 B9R1.15 O=Cc1ccncc1N 1P00DEZT [0,0,0,0,0,1|3,0,0]=4 689 B9R1.15 O=Cc1ccncc1O 1P00757U [0,0,0,0,0,1|3,0,0]=4 690 B9R1.15 O=Cc1cnccc1C 1P00D9CN [0,0,0,0,0,1|3,0,0]=4 691 B9R1.15 O=Cc1cncnc1N 1P001UPA [0,0,0,0,0,1|3,0,0]=4 692 B9R1.15 O=Cc1ncccc1C 1P003K64 [0,0,0,0,0,1|3,0,0]=4 693 B9R1.15 O=Cc1nccnc1C 1P00BGLJ [0,0,0,0,0,1|2,0,0]=3 694 B9R1.15 O=Cc1nccnc1Cl 1P0081RE [0,0,0,0,0,1|3,0,0]=4 695 B9R1.15 O=Cc1nccnc1F 1P00I4F3 [0,0,0,0,0,1|3,0,0]=4 696 B9R1.15 O=Cc1nccnc1N 1P0039AI [0,0,0,0,0,1|3,0,0]=4 697 B9R1.15 O=Cc1ncncc1C 1P01EMMI [0,0,0,0,0,1|2,0,0]=3 698 B9R1.15 O=Cc1ncncc1N 1P00II0O [0,0,0,0,0,1|3,0,0]=4 699 B9R1.15 OCc1cccnc1C 1P003BPS [0,0,0,0,0,1|2,0,1]=4 700 B9R1.15 OCc1ccncc1C 1P00C847 [0,0,0,0,0,1|2,0,1]=4 701 B9R1.15 OCc1ccnnc1C 1P00I3WD [0,0,0,0,0,1|2,0,1]=4 702 B9R1.15 OCc1cncnc1C 1P01A6T5 [0,0,0,0,0,1|2,0,1]=4 703 B9R1.15 OCc1nccnc1C 1P001VUR [0,0,0,0,0,1|2,0,1]=4 704 B6R1.2 Brc1cccs1 1P0001YI [2,0,0,0,0,0|2,0,0]=4 705 B6R1.2 Brc1cnc[nH]1 1P002MDC [2,0,0,0,0,0|2,0,0]=4 706 B6R1.2 Brc1cnco1 1P0094A7 [2,0,0,0,0,0|1,1,0]=4 707 B6R1.2 Brc1cnco1 1P01B653 [2,0,0,0,0,0|1,1,0]=4 708 B6R1.2 Brc1cncs1 1P00309V [2,0,0,0,0,0|1,0,0]=3 709 B6R1.2 Brc1cnns1 1P028OEX [2,0,0,0,0,0|2,0,0]=4 710 B6R1.2 Brc1cocn1 1P009WUS [2,0,0,0,0,0|1,1,0]=4 711 B6R1.2 Brc1cocn1 1P01B6N4 [2,0,0,0,0,0|1,1,0]=4 712 B6R1.2 Brc1cscc1 1P00343T [2,0,0,0,0,0|2,0,0]=4 713 B6R1.2 Brc1cscn1 1P0034FH [2,0,0,0,0,0|1,0,0]=3 714 B6R1.2 Brc1nncs1 1P0033LG [2,0,0,0,0,0|2,0,0]=4 715 B6R1.2 Brc1nscn1 1P00J3VA [2,0,0,0,0,0|2,0,0]=4 716 B6R1.2 C1N=CSC1=S 1P009QOQ [2,0,0,0,0,0|1,0,1]=4 717 B6R1.2 Cc1[n-]ccn1 1P00EFKI [2,0,0,0,0,0|2,0,0]=4 718 B6R1.2 Cc1c[nH]cc1 1P00347O [2,0,0,0,0,0|2,0,0]=4 719 B6R1.2 Cc1c[nH]cn1 1P0034KA [2,0,0,0,0,0|1,0,0]=3 720 B6R1.2 Cc1cc[nH]n1 1P001L8I [2,0,0,0,0,0|2,0,0]=4 721 B6R1.2 Cc1ccc[nH]1 1P0036CQ [2,0,0,0,0,0|1,0,1]=4 722 B6R1.2 Cc1ccco1 1P003I5W [2,0,0,0,0,0|2,0,0]=4 723 B6R1.2 Cc1ccon1 1P0031XW [2,0,0,0,0,0|2,0,0]=4 724 B6R1.2 Cc1cn[nH]n1 1P002GA1 [2,0,0,0,0,0|2,0,0]=4 725 B6R1.2 Cc1cnc[nH]1 1P002MX4 [2,0,0,0,0,0|1,0,1]=4 726 B6R1.2 Cc1cnco1 1P0037GR [2,0,0,0,0,0|0,1,1]=4 727 B6R1.2 Cc1cncs1 1P003ND8 [2,0,0,0,0,0|0,0,1]=3 728 B6R1.2 Cc1cnon1 1P002SJZ [2,0,0,0,0,0|2,0,0]=4 729 B6R1.2 Cc1cocc1 1P003K7Y [2,0,0,0,0,0|1,1,0]=4 730 B6R1.2 Cc1cocn1 1P00376B [2,0,0,0,0,0|0,1,0]=3 731 B6R1.2 Cc1cscc1 1P0037J4 [2,0,0,0,0,0|1,0,0]=3 732 B6R1.2 Cc1cscn1 1P0034KU [2,0,0,0,0,0|0,0,0]=2 733 B6R1.2 Cc1csnc1 1P00FFVP [2,0,0,0,0,0|2,0,0]=4 734 B6R1.2 Cc1csnn1 1P0023VD [2,0,0,0,0,0|1,0,0]=3 735 B6R1.2 Cc1n[nH]cn1 1P00347N [2,0,0,0,0,0|2,0,0]=4 736 B6R1.2 Cc1ncc[nH]1 1P0033UW [2,0,0,0,0,0|2,0,0]=4 737 B6R1.2 Cc1ncc[nH]1 1P01FPHT [2,0,0,0,0,0|2,0,0]=4 738 B6R1.2 Cc1ncco1 1P002MBP [2,0,0,0,0,0|2,0,0]=4 739 B6R1.2 Cc1nccs1 1P003I7G [2,0,0,0,0,0|2,0,0]=4 740 B6R1.2 Clc1cccs1 1P0033WN [2,0,0,0,0,0|2,0,0]=4 741 B6R1.2 Clc1cnc[nH]1 1P001RQY [2,0,0,0,0,0|2,0,0]=4 742 B6R1.2 Clc1cncs1 1P01B60F [2,0,0,0,0,0|1,0,0]=3 743 B6R1.2 Clc1cnns1 1P00BYEY [2,0,0,0,0,0|2,0,0]=4 744 B6R1.2 Clc1cscc1 1P0038PL [2,0,0,0,0,0|2,0,0]=4 745 B6R1.2 Clc1cscn1 1P003LP9 [2,0,0,0,0,0|1,0,0]=3 746 B6R1.2 Clc1nncs1 1P00DIEM [2,0,0,0,0,0|2,0,0]=4 747 B6R1.2 Clc1nscn1 1P01A6LQ [2,0,0,0,0,0|2,0,0]=4 748 B6R1.2 Cn1cccn1 1P003EXX [2,0,0,0,0,0|2,0,0]=4 749 B6R1.2 Cn1cncn1 1P003EXL [2,0,0,0,0,0|2,0,0]=4 750 B6R1.2 Fc1cccs1 1P00BYBL [2,0,0,0,0,0|2,0,0]=4 751 B6R1.2 Fc1cnc[nH]1 1P007K08 [2,0,0,0,0,0|2,0,0]=4 752 B6R1.2 Fc1cscc1 1P003268 [2,0,0,0,0,0|2,0,0]=4 753 B6R1.2 Ic1c[nH]cn1 1P0034JK [2,0,0,0,0,0|2,0,0]=4 754 B6R1.2 Ic1cccs1 1P0033TX [2,0,0,0,0,0|2,0,0]=4 755 B6R1.2 Ic1cnco1 1P027WF8 [2,0,0,0,0,0|1,1,0]=4 756 B6R1.2 Ic1cncs1 1P009R22 [2,0,0,0,0,0|1,0,0]=3 757 B6R1.2 Ic1cocn1 1P01BJ4G [2,0,0,0,0,0|1,1,0]=4 758 B6R1.2 Ic1cscc1 1P00860K [2,0,0,0,0,0|2,0,0]=4 759 B6R1.2 Ic1cscn1 1P01BUQT [2,0,0,0,0,0|1,0,0]=3 760 B6R1.2 Ic1csnn1 1P028QT4 [2,0,0,0,0,0|2,0,0]=4 761 B6R1.2 Ic1nncs1 1P00CB6F [2,0,0,0,0,0|2,0,0]=4 762 B6R1.2 Nc1cnc[nH]1 1P000S6U [2,0,0,0,0,0|2,0,0]=4 763 B6R1.2 Nc1cncs1 1P0025NE [2,0,0,0,0,0|1,0,0]=3 764 B6R1.2 Nc1cncs1 1P0034NP [2,0,0,0,0,0|1,0,0]=3 765 B6R1.2 Nc1cnns1 1P0034N4 [2,0,0,0,0,0|2,0,0]=4 766 B6R1.2 Nc1cscc1 1P00BFOP [2,0,0,0,0,0|2,0,0]=4 767 B6R1.2 Nc1cscn1 1P0025NF [2,0,0,0,0,0|1,0,0]=3 768 B6R1.2 Nc1csnn1 1P01BEQH [2,0,0,0,0,0|2,0,0]=4 769 B6R1.2 Nc1nc[nH]c1 1P0039YW [2,0,0,0,0,0|2,0,0]=4 770 B6R1.2 Nc1nncs1 1P0033JF [2,0,0,0,0,0|2,0,0]=4 771 B6R1.2 Nc1scnc1 1P01C520 [2,0,0,0,0,0|1,0,0]=3 772 B6R1.2 O=c1scn[nH]1 1P004Y70 [2,0,0,0,0,0|2,0,0]=4 773 B6R1.2 Oc1c[nH]cn1 1P0063WX [2,0,0,0,0,0|2,0,0]=4 774 B6R1.2 Oc1cccs1 1P007WJZ [2,0,0,0,0,0|2,0,0]=4 775 B6R1.2 Oc1cscc1 1P007DIM [2,0,0,0,0,0|2,0,0]=4 776 B6R1.2 Sc1cccs1 1P003IEZ [2,0,0,0,0,0|2,0,0]=4 777 B6R1.2 Sc1cscc1 1P00589C [2,0,0,0,0,0|2,0,0]=4 778 B6R1.2 Sc1nncs1 1P003HYN [2,0,0,0,0,0|2,0,0]=4 779 B6R1.2 [S-]c1cnns1 1P00G2O4 [2,0,0,0,0,0|2,0,0]=4 780 B8R1.1 BrCc1cnc(s1)Br 1P00105F [1,1,0,0,0,0|1,0,1]=4 781 B8R1.1 Brc1cc(sc1)C=O 1P002H1J [1,1,0,0,0,0|2,0,0]=4 782 B8R1.1 Brc1ccc(s1)C=O 1P0038BE [1,1,0,0,0,0|2,0,0]=4 783 B8R1.1 Brc1ncc(s1)C#N 1P0038BT [1,1,0,0,0,0|1,0,1]=4 784 B8R1.1 Brc1ncc(s1)C=O 1P00DEFR [1,1,0,0,0,0|1,0,0]=3 785 B8R1.1 C=Cc1cnn(c1)C 1P01A0UW [1,1,0,0,0,0|2,0,0]=4 786 B8R1.1 CC1=NC=C(C#C)S1 1P01FX4I [1,1,0,0,0,0|0,0,2]=4 787 B8R1.1 CCc1cnc(s1)Br 1P00AO2J [1,1,0,0,0,0|0,0,2]=4 788 B8R1.1 CCc1cnc(s1)Cl 1P00GML7 [1,1,0,0,0,0|0,0,2]=4 789 B8R1.1 CCc1cnc(s1)N 1P0037QG [1,1,0,0,0,0|0,0,2]=4 790 B8R1.1 CCc1cnc(s1)N 1P01CD9U [1,1,0,0,0,0|0,0,2]=4 791 B8R1.1 COc1cnc(s1)C 1P00BXUC [1,1,0,0,0,0|1,0,1]=4 792 B8R1.1 COc1cnc(s1)N 1P00EAWD [1,1,0,0,0,0|1,0,1]=4 793 B8R1.1 CSc1cnc(s1)N 1P00IKP2 [1,1,0,0,0,0|1,0,1]=4 794 B8R1.1 Cc1cc(sc1)C=O 1P003M9N [1,1,0,0,0,0|2,0,0]=4 795 B8R1.1 Cc1ccc(o1)C=C 1P007GDE [1,1,0,0,0,0|1,1,0]=4 796 B8R1.1 Cc1ccc(s1)C=O 1P0012UA [1,1,0,0,0,0|2,0,0]=4 797 B8R1.1 Cc1nc(cs1)C=C 1P01A3RX [1,1,0,0,0,0|2,0,0]=4 798 B8R1.1 Cc1nc(cs1)C=C 1P01ANVE [1,1,0,0,0,0|2,0,0]=4 799 B8R1.1 Cc1ncc([nH]1)C=O 1P007GWA [1,1,0,0,0,0|2,0,0]=4 800 B8R1.1 Cc1ncc(s1)C#N 1P00IBZG [1,1,0,0,0,0|1,0,1]=4 801 B8R1.1 Cc1ncc(s1)C=O 1P0001Z0 [1,1,0,0,0,0|1,0,0]=3 802 B8R1.1 Cc1ncc(s1)CBr 1P00IDSU [1,1,0,0,0,0|1,0,1]=4 803 B8R1.1 Cc1ncc(s1)CBr 1P02939Y [1,1,0,0,0,0|1,0,1]=4 804 B8R1.1 Cc1ncc(s1)CCl 1P00F69F [1,1,0,0,0,0|1,0,1]=4 805 B8R1.1 Cc1ncc(s1)CCl 1P01BIY6 [1,1,0,0,0,0|1,0,1]=4 806 B8R1.1 Cc1ncc(s1)CN 1P00ED8F [1,1,0,0,0,0|1,0,1]=4 807 B8R1.1 Cc1ncc(s1)CN 1P00HBF4 [1,1,0,0,0,0|1,0,1]=4 808 B8R1.1 Cc1ncc(s1)CO 1P00DJHY [1,1,0,0,0,0|1,0,1]=4 809 B8R1.1 Cc1nnc(s1)C=O 1P00EKHB [1,1,0,0,0,0|2,0,0]=4 810 B8R1.1 ClCc1cnc(s1)Cl 1P0033OW [1,1,0,0,0,0|1,0,1]=4 811 B8R1.1 Clc1cc(sc1)C=O 1P00EDRL [1,1,0,0,0,0|2,0,0]=4 812 B8R1.1 Clc1ccc(s1)C=O 1P0034Q0 [1,1,0,0,0,0|2,0,0]=4 813 B8R1.1 Clc1ncc(s1)C#C 1P01C64M [1,1,0,0,0,0|0,0,2]=4 814 B8R1.1 Clc1ncc(s1)C#N 1P003HKB [1,1,0,0,0,0|1,0,1]=4 815 B8R1.1 Clc1ncc(s1)C=O 1P0033QG [1,1,0,0,0,0|1,0,0]=3 816 B8R1.1 Clc1ncc(s1)CBr 1P002LBR [1,1,0,0,0,0|1,0,1]=4 817 B8R1.1 Fc1ccc(s1)C=O 1P002ZHS [1,1,0,0,0,0|2,0,0]=4 818 B8R1.1 Ic1cc(sc1)C=O 1P002H72 [1,1,0,0,0,0|2,0,0]=4 819 B8R1.1 NCc1cnc(s1)Br 1P0001K3 [1,1,0,0,0,0|1,0,1]=4 820 B8R1.1 NCc1cnc(s1)Br 1P00105E [1,1,0,0,0,0|1,0,1]=4 821 B8R1.1 NCc1cnc(s1)Br 1P01B9CA [1,1,0,0,0,0|1,0,1]=4 822 B8R1.1 NCc1cnc(s1)Cl 1P0036LR [1,1,0,0,0,0|1,0,1]=4 823 B8R1.1 NCc1cnc(s1)Cl 1P00AKVT [1,1,0,0,0,0|1,0,1]=4 824 B8R1.1 NCc1cnc(s1)N 1P01EKLE [1,1,0,0,0,0|1,0,1]=4 825 B8R1.1 NNc1cnc(s1)C 1P028I3Q [1,1,0,0,0,0|2,0,0]=4 826 B8R1.1 Nc1nc(cs1)C=C 1P01AM31 [1,1,0,0,0,0|2,0,0]=4 827 B8R1.1 Nc1ncc(o1)C=O 1P028XIS [1,1,0,0,0,0|1,1,0]=4 828 B8R1.1 Nc1ncc(s1)C#N 1P00DASH [1,1,0,0,0,0|1,0,1]=4 829 B8R1.1 Nc1ncc(s1)C=O 1P0001YZ [1,1,0,0,0,0|1,0,0]=3 830 B8R1.1 Nc1ncc(s1)C=O 1P006F62 [1,1,0,0,0,0|1,0,0]=3 831 B8R1.1 Nc1ncc(s1)CO 1P000W4R [1,1,0,0,0,0|1,0,1]=4 832 B8R1.1 O=CC1=CN=C(Br)N1 1P01K7YO [1,1,0,0,0,0|2,0,0]=4 833 B8R1.1 O=CC1=CN=C(Cl)N1 1P01FX29 [1,1,0,0,0,0|2,0,0]=4 834 B8R1.1 OCc1cnc(s1)Br 1P006HSF [1,1,0,0,0,0|1,0,1]=4 835 B8R1.1 OCc1cnc(s1)Cl 1P001KY7 [1,1,0,0,0,0|1,0,1]=4 836 B8R1.1 Oc1ncc(s1)C=O 1P01BF4T [1,1,0,0,0,0|1,0,0]=3 837 B8R1.1 SCc1cnc(s1)Cl 1P01FFB6 [1,1,0,0,0,0|1,0,1]=4 838 B8R1.7 CC(=C)c1ccco1 1P01DDLR [1,1,0,0,0,0|1,1,0]=4 839 B8R1.7 CC(=O)c1cccs1 1P0035MZ [1,1,0,0,0,0|1,0,1]=4 840 B8R1.7 CC(=O)c1cnco1 1P009KIG [1,1,0,0,0,0|0,1,1]=4 841 B8R1.7 CC(=O)c1cncs1 1P00GT31 [1,1,0,0,0,0|0,0,1]=3 842 B8R1.7 CC(=O)c1cnns1 1P0080BZ [1,1,0,0,0,0|1,0,1]=4 843 B8R1.7 CC(c1cncs1)N 1P0099H5 [1,1,0,0,0,0|0,0,2]=4 844 B8R1.7 CC(c1cncs1)N 1P01EII7 [1,1,0,0,0,0|0,0,2]=4 845 B8R1.7 CC(c1cncs1)O 1P00D74H [1,1,0,0,0,0|0,0,2]=4 846 B8R1.7 CC(c1scnc1)C 1P001WUZ [1,1,0,0,0,0|0,0,2]=4 847 B8R1.7 CC(c1scnc1)N 1P024UN9 [1,1,0,0,0,0|0,0,2]=4 848 B8R1.7 C[C@@H](c1cncs1)O 1P01A5H7 [1,1,0,0,0,0|0,0,2]=4 849 B8R1.7 C[C@@H](c1cncs1)O 1P01AJLF [1,1,0,0,0,0|0,0,2]=4 850 B8R1.7 C[C@@H](c1scnc1)N 1P01AGG1 [1,1,0,0,0,0|0,0,2]=4 851 B8R1.7 C[C@H](c1cncs1)O 1P01AJLG [1,1,0,0,0,0|0,0,2]=4 852 B8R1.7 C[C@H](c1scnc1)N 1P01A5OR [1,1,0,0,0,0|0,0,2]=4 853 B8R1.7 ClC(=O)c1cccs1 1P003BQI [1,1,0,0,0,0|2,0,0]=4 854 B8R1.7 ClC(=O)c1cncs1 1P01BDDL [1,1,0,0,0,0|1,0,0]=3 855 B8R1.7 NC(=N)c1cccs1 1P00D9DQ [1,1,0,0,0,0|2,0,0]=4 856 B8R1.7 NC(=N)c1cncs1 1P01BFO7 [1,1,0,0,0,0|1,0,0]=3 857 B8R1.7 NC(=O)c1cnco1 1P001QI7 [1,1,0,0,0,0|1,1,0]=4 858 B8R1.7 NC(=O)c1cncs1 1P008QNN [1,1,0,0,0,0|1,0,0]=3 859 B8R1.7 NC(=S)c1cccs1 1P00293Y [1,1,0,0,0,0|2,0,0]=4 860 B8R1.7 NC(=S)c1cnco1 1P0046TH [1,1,0,0,0,0|1,1,0]=4 861 B8R1.7 NC(=S)c1cncs1 1P00BZE4 [1,1,0,0,0,0|1,0,0]=3 862 B8R1.7 OC(=O)c1cccs1 1P003IEW [1,1,0,0,0,0|2,0,0]=4 863 B8R1.7 OC(=O)c1cnco1 1P0038RZ [1,1,0,0,0,0|1,1,0]=4 864 B8R1.7 OC(=O)c1cncs1 1P001L77 [1,1,0,0,0,0|1,0,0]=3 865 B8R1.7 OC(=O)c1cnns1 1P00DIE1 [1,1,0,0,0,0|2,0,0]=4 866 B8R1.7 [O-]C(=O)c1cccs1 1P002R08 [1,1,0,0,0,0|2,0,0]=4 867 B8R1.7 [O-]C(=O)c1cccs1 1P00353G [1,1,0,0,0,0|2,0,0]=4 868 B8R1.7 [O-]C(=O)c1cccs1 1P01XCZI [1,1,0,0,0,0|2,0,0]=4 869 B8R1.7 [O-]C(=O)c1cncs1 1P01A8FB [1,1,0,0,0,0|1,0,0]=3 870 B8R1.7 [O-]C(=O)c1nncs1 1P01EKKT [1,1,0,0,0,0|2,0,0]=4 871 B8R1.7 [O-][N+](=O)c1cncs1 1P001L73 [1,1,0,0,0,0|2,0,0]=4 872 B8R1.8 BrCCc1cncs1 1P01BBZH [1,1,0,0,0,0|0,0,2]=4 873 B8R1.8 C(c1cncs1)C#N 1P00DJRR [1,1,0,0,0,0|0,0,2]=4 874 B8R1.8 C=CCn1cncc1 1P003BHN [1,1,0,0,0,0|2,0,0]=4 875 B8R1.8 C=CCn1cncn1 1P00J8RW [1,1,0,0,0,0|2,0,0]=4 876 B8R1.8 CNCc1cncs1 1P00H3L5 [1,1,0,0,0,0|0,0,2]=4 877 B8R1.8 COCc1cncs1 1P027XKB [1,1,0,0,0,0|0,0,2]=4 878 B8R1.8 ClCCc1cncs1 1P01AML1 [1,1,0,0,0,0|0,0,2]=4 879 B8R1.8 N(c1nncs1)C=O 1P028MQZ [1,1,0,0,0,0|2,0,0]=4 880 B8R1.8 NCCc1scnc1 1P00G9Z1 [1,1,0,0,0,0|0,0,2]=4 881 B8R1.8 O=CCc1cccs1 1P00AD6S [1,1,0,0,0,0|1,0,1]=4 882 B8R1.8 OCCc1cncs1 1P01B9DR [1,1,0,0,0,0|0,0,2]=4 883 B8R1.8 ON=Cc1cccs1 1P002ZKS [1,1,0,0,0,0|2,0,0]=4 884 B8R1.18 Brc1oc(c(n1)C)C 1P000LYQ [1,1,0,0,0,0|0,1,1]=4 885 B8R1.18 Brc1sc(c(c1)C)Br 1P0010DT [1,1,0,0,0,0|2,0,0]=4 886 B8R1.18 Brc1sc(c(n1)Br)Br 1P00ELMF [1,1,0,0,0,0|2,0,0]=4 887 B8R1.18 Brc1sc(c(n1)Br)C 1P003G69 [1,1,0,0,0,0|1,0,1]=4 888 B8R1.18 Brc1sc(c(n1)C)Br 1P008N2N [1,1,0,0,0,0|1,0,0]=3 889 B8R1.18 Brc1sc(c(n1)C)C 1P0038K6 [1,1,0,0,0,0|0,0,1]=3 890 B8R1.18 Brc1sc(c(n1)Cl)Br 1P01HKKV [1,1,0,0,0,0|2,0,0]=4 891 B8R1.18 CC1=C(Br)SC(N)=N1 1P01KIO4 [1,1,0,0,0,0|1,0,0]=3 892 B8R1.18 Cc1[nH]c(c(n1)C)C 1P0056FW [1,1,0,0,0,0|1,0,1]=4 893 B8R1.18 Cc1[nH]c(c(n1)C)C 1P01BURG [1,1,0,0,0,0|1,0,1]=4 894 B8R1.18 Cc1[nH]c(c(n1)C)I 1P01NWJN [1,1,0,0,0,0|2,0,0]=4 895 B8R1.18 Cc1nc(c(s1)I)Br 1P028ZPC [1,1,0,0,0,0|2,0,0]=4 896 B8R1.18 Cc1oc(c(n1)C)Br 1P00AO3C [1,1,0,0,0,0|1,1,0]=4 897 B8R1.18 Cc1oc(c(n1)C)C 1P002J26 [1,1,0,0,0,0|0,1,1]=4 898 B8R1.18 Cc1sc(c(c1)C)Br 1P00AOIX [1,1,0,0,0,0|2,0,0]=4 899 B8R1.18 Cc1sc(c(c1)C)C 1P0027I0 [1,1,0,0,0,0|1,0,1]=4 900 B8R1.18 Cc1sc(c(c1)C)S 1P01C7O2 [1,1,0,0,0,0|2,0,0]=4 901 B8R1.18 Cc1sc(c(n1)Br)C 1P00IGPX [1,1,0,0,0,0|1,0,1]=4 902 B8R1.18 Cc1sc(c(n1)C)Br 1P002WA1 [1,1,0,0,0,0|1,0,0]=3 903 B8R1.18 Cc1sc(c(n1)C)C 1P003BKT [1,1,0,0,0,0|0,0,1]=3 904 B8R1.18 Cc1sc(c(n1)C)N 1P00G5DE [1,1,0,0,0,0|1,0,0]=3 905 B8R1.18 Cc1sc(c(n1)C)N 1P01BJU5 [1,1,0,0,0,0|1,0,0]=3 906 B8R1.18 Cc1sc(c(n1)I)C 1P027XKD [1,1,0,0,0,0|1,0,1]=4 907 B8R1.18 Clc1[nH]c(c(n1)C)C 1P00HAX4 [1,1,0,0,0,0|1,0,1]=4 908 B8R1.18 Clc1nc(c(s1)C)Br 1P01EHU2 [1,1,0,0,0,0|1,0,1]=4 909 B8R1.18 Clc1nc(c(s1)I)Br 1P02839J [1,1,0,0,0,0|2,0,0]=4 910 B8R1.18 Clc1nc(c(s1)I)C 1P028V79 [1,1,0,0,0,0|1,0,0]=3 911 B8R1.18 Clc1oc(c(n1)C)C 1P028JBS [1,1,0,0,0,0|0,1,1]=4 912 B8R1.18 Clc1sc(c(c1)C)Cl 1P003GDQ [1,1,0,0,0,0|2,0,0]=4 913 B8R1.18 Clc1sc(c(n1)Br)Br 1P028YWN [1,1,0,0,0,0|2,0,0]=4 914 B8R1.18 Clc1sc(c(n1)Br)Cl 1P028YJD [1,1,0,0,0,0|2,0,0]=4 915 B8R1.18 Clc1sc(c(n1)C)C 1P00EKTP [1,1,0,0,0,0|0,0,1]=3 916 B8R1.18 Clc1sc(c(n1)Cl)Br 1P02826A [1,1,0,0,0,0|2,0,0]=4 917 B8R1.18 Clc1sc(c(n1)Cl)C 1P0085K0 [1,1,0,0,0,0|1,0,1]=4 918 B8R1.18 Clc1sc(c(n1)Cl)Cl 1P006W5R [1,1,0,0,0,0|2,0,0]=4 919 B8R1.18 Clc1sc(c(n1)Cl)I 1P02841Z [1,1,0,0,0,0|2,0,0]=4 920 B8R1.18 Clc1sc(c(n1)I)Cl 1P027YHJ [1,1,0,0,0,0|2,0,0]=4 921 B8R1.18 Cn1nc(sc1=O)N 1P004S7K [1,1,0,0,0,0|2,0,0]=4 922 B8R1.18 Fc1nc(c(s1)Br)C 1P0282U9 [1,1,0,0,0,0|1,0,0]=3 923 B8R1.18 Ic1[nH]c(c(n1)C)I 1P001M8W [1,1,0,0,0,0|2,0,0]=4 924 B8R1.18 Ic1sc(c(c1)C)C 1P028YU4 [1,1,0,0,0,0|1,0,1]=4 925 B8R1.18 Ic1sc(c(n1)C)C 1P028FO5 [1,1,0,0,0,0|0,0,1]=3 926 B8R1.18 Nc1[nH]c(c(n1)C)C 1P0018DI [1,1,0,0,0,0|1,0,1]=4 927 B8R1.18 Nc1[nH]c(c(n1)C)C 1P00AKKE [1,1,0,0,0,0|1,0,1]=4 928 B8R1.18 Nc1nc(c(s1)Br)C 1P00309T [1,1,0,0,0,0|1,0,0]=3 929 B8R1.18 Nc1nc(c(s1)Br)C 1P0072MF [1,1,0,0,0,0|1,0,0]=3 930 B8R1.18 Nc1nc(c(s1)C)Br 1P003ATH [1,1,0,0,0,0|1,0,1]=4 931 B8R1.18 Nc1nc(c(s1)C)O 1P00A8UL [1,1,0,0,0,0|1,0,1]=4 932 B8R1.18 Nc1nc(c(s1)Cl)C 1P00COUI [1,1,0,0,0,0|1,0,0]=3 933 B8R1.18 Nc1nc(c(s1)Cl)C 1P00D8GN [1,1,0,0,0,0|1,0,0]=3 934 B8R1.18 Nc1nc(c(s1)F)C 1P01A3DQ [1,1,0,0,0,0|1,0,0]=3 935 B8R1.18 Nc1nc(c(s1)I)C 1P01C47U [1,1,0,0,0,0|1,0,0]=3 936 B8R1.18 Nc1oc(c(n1)C)C 1P00DL9F [1,1,0,0,0,0|0,1,1]=4 937 B8R1.18 Nc1oc(c(n1)C)C 1P00J2FK [1,1,0,0,0,0|0,1,1]=4 938 B8R1.18 Nc1sc(c(n1)C)C 1P002LTZ [1,1,0,0,0,0|0,0,1]=3 939 B8R1.18 Nc1sc(c(n1)C)C 1P003GV7 [1,1,0,0,0,0|0,0,1]=3 940 B8R1.18 Nc1sc(c(n1)C)C 1P0065AC [1,1,0,0,0,0|0,0,1]=3 941 B8R1.18 O=c1[nH]c(c(s1)C)C 1P01DUSE [1,1,0,0,0,0|0,0,2]=4 942 B8R1.18 S=c1[nH]c(c(s1)C)C 1P0037RJ [1,1,0,0,0,0|0,0,2]=4 943 B8R1.18 Sc1oc(c(n1)C)C 1P00FQ17 [1,1,0,0,0,0|0,1,1]=4 944 B8R1.50 C[n+]1csc(c1C)C 1P00EFGV [1,1,0,0,0,0|0,0,2]=4 945 B8R1.50 Cn1cnc(c1Br)C 1P00IEDX [1,1,0,0,0,0|2,0,0]=4 946 B8R1.50 Cn1cnc(c1C)C 1P0028CS [1,1,0,0,0,0|1,0,1]=4 947 B8R1.50 Cn1cnc(c1I)C 1P01APBZ [1,1,0,0,0,0|2,0,0]=4 948 B8R1.50 Cn1cnc(c1N)C 1P0034N6 [1,1,0,0,0,0|2,0,0]=4 949 B10R1.8 C=Cc1cc(C)nc(n1)C 1P00A7O9 [0,1,0,0,0,1|1,0,0]=3 950 B10R1.8 C=Cc1nc(N)nc(n1)N 1P003IFC [0,1,0,0,0,1|2,0,0]=4 951 B10R1.8 O=Cc1cc(C)nc(c1)C 1P0023SO [0,1,0,0,0,1|2,0,0]=4 952 B10R1.8 O=Cc1cc(C)nc(c1)Cl 1P00D8VM [0,1,0,0,0,1|2,0,0]=4 953 B10R1.8 O=Cc1cc(C)nc(n1)C 1P0095P4 [0,1,0,0,0,1|2,0,0]=4 954 B10R1.8 O=Cc1cc(Cl)nc(n1)C 1P00II10 [0,1,0,0,0,1|2,0,0]=4 955 B10R1.10 C=CCc1cccc(c1)C 1P003EDX [0,1,0,0,0,1|2,0,0]=4 956 B10R1.10 C=COc1cccc(c1)C 1P0002M9 [0,1,0,0,0,1|2,0,0]=4 957 B10R1.10 Cc1nc(C=NO)ccn1 1P002X8B [0,1,0,0,0,1|2,0,0]=4 958 B10R1.10 ON=Cc1ccnc(c1)C 1P028WBK [0,1,0,0,0,1|2,0,0]=4 959 B10R1.30 C=Cc1cc(C)ccc1C 1P0029NY [0,1,0,0,0,1|2,0,0]=4 960 B10R1.30 O=Cc1cc(C)ncc1Br 1P00OENT [0,1,0,0,0,1|2,0,0]=4 961 B10R1.113 Cc1cc(ncn1)C(=O)O 1P0019VD [0,1,0,0,0,1|2,0,0]=4 962 B10R1.113 Cc1cc(ncn1)C(=O)O 1P0293TC [0,1,0,0,0,1|2,0,0]=4 963 B10R1.113 Cc1cccc(c1)C(=C)C 1P003RUW [0,1,0,0,0,1|2,0,0]=4 964 B10R1.113 Cc1nccc(c1)C(=C)C 1P0019VT [0,1,0,0,0,1|1,0,0]=3 965 B10R1.113 Cc1nccc(c1)C(=O)C 1P00BDBG [0,1,0,0,0,1|1,0,1]=4 966 B10R1.113 Cc1nccc(c1)C(=O)N 1P00AKYZ [0,1,0,0,0,1|2,0,0]=4 967 B10R1.113 Cc1nccc(c1)C(=O)O 1P0033UX [0,1,0,0,0,1|2,0,0]=4 968 B10R1.113 Cc1nccc(c1)C(=S)N 1P00C9NL [0,1,0,0,0,1|2,0,0]=4 969 B10R1.113 Cc1nccc(n1)C(=O)C 1P00FAON [0,1,0,0,0,1|1,0,1]=4 970 B10R1.113 Cc1nccc(n1)C(=O)N 1P00GS4I [0,1,0,0,0,1|2,0,0]=4 971 B10R1.113 Cc1nccc(n1)C(=O)O 1P007N4X [0,1,0,0,0,1|2,0,0]=4 972 B10R1.113 Cc1ncnc(c1)C(=O)C 1P006MMZ [0,1,0,0,0,1|1,0,1]=4 973 B10R1.172 CCc1cccc(c1)C=C 1P005N8X [0,1,0,0,0,1|2,0,0]=4 974 B10R1.172 CCc1nccc(c1)C=O 1P0291M9 [0,1,0,0,0,1|2,0,0]=4 975 B10R1.172 CCc1nccc(n1)C=O 1P007TVA [0,1,0,0,0,1|2,0,0]=4 976 B10R1.172 CNc1nccc(n1)C=O 1P0022V4 [0,1,0,0,0,1|2,0,0]=4 977 B10R1.172 COc1cccc(c1)C=C 1P003KDW [0,1,0,0,0,1|2,0,0]=4 978 B10R1.172 COc1ccnc(c1)C=C 1P00310W [0,1,0,0,0,1|2,0,0]=4 979 B10R1.172 COc1nccc(c1)C=O 1P005FZ0 [0,1,0,0,0,1|2,0,0]=4 980 B10R1.172 COc1nccc(n1)C=O 1P001VJP [0,1,0,0,0,1|2,0,0]=4 981 B10R1.172 COc1ncnc(c1)C=O 1P027W7X [0,1,0,0,0,1|2,0,0]=4 982 B10R1.172 CSc1nccc(n1)C=O 1P008RQS [0,1,0,0,0,1|2,0,0]=4 983 B10R1.172 OCc1nccc(c1)C=O 1P01KMEY [0,1,0,0,0,1|2,0,0]=4 984 B10R1.176 C=Cc1ccc(c(c1)C)C 1P002VCY [0,1,0,0,0,1|2,0,0]=4 985 B10R1.4 C=CCc1ccccc1C 1P001R8K [0,1,0,0,0,1|2,0,0]=4 986 B10R1.4 Cc1ncccc1\C=N/O 1P024ZS2 [0,1,0,0,0,1|2,0,0]=4 987 B10R1.20 C=Cc1ccccc1CO 1P00I7F4 [0,1,0,0,0,1|2,0,0]=4 988 B10R1.20 C=Cc1ccccc1OC 1P003IFD [0,1,0,0,0,1|2,0,0]=4 989 B10R1.20 CCc1ccccc1C=C 1P006EB5 [0,1,0,0,0,1|2,0,0]=4 990 B10R1.20 CCc1cnccc1C=O 1P02840G [0,1,0,0,0,1|2,0,0]=4 991 B10R1.20 CCc1ncccc1C=O 1P00KEMW [0,1,0,0,0,1|2,0,0]=4 992 B10R1.20 CNc1ncccc1C=O 1P00383H [0,1,0,0,0,1|2,0,0]=4 993 B10R1.20 CNc1ncccc1C=O 1P00J1KK [0,1,0,0,0,1|2,0,0]=4 994 B10R1.20 COc1cnccc1C=O 1P00AP8F [0,1,0,0,0,1|2,0,0]=4 995 B10R1.20 COc1cncnc1C=O 1P0284VY [0,1,0,0,0,1|2,0,0]=4 996 B10R1.20 COc1ncccc1C=O 1P006AHW [0,1,0,0,0,1|2,0,0]=4 997 B10R1.20 COc1ncncc1C=O 1P00A8V7 [0,1,0,0,0,1|2,0,0]=4 998 B10R1.20 O=Cc1nccnc1OC 1P00EDQW [0,1,0,0,0,1|2,0,0]=4 999 B10R1.25 C=Cc1ccc(cc1C)Br 1P01C7QN [0,1,0,0,0,1|2,0,0]=4 1000 B10R1.25 C=Cc1ccc(cc1C)C 1P003GBE [0,1,0,0,0,1|2,0,0]=4 1001 B10R1.25 C=Cc1ncc(cc1C)C 1P01C587 [0,1,0,0,0,1|2,0,0]=4 1002 B10R1.25 Cc1nc(Br)ccc1C=O 1P006G7P [0,1,0,0,0,1|2,0,0]=4 1003 B10R1.25 Cc1nc(C)ccc1C=O 1P00EAFE [0,1,0,0,0,1|2,0,0]=4 1004 B10R1.25 Cc1nc(C)cnc1C=O 1P028JD8 [0,1,0,0,0,1|2,0,0]=4 1005 B10R1.25 Cc1nc(Cl)ccc1C=O 1P004F2R [0,1,0,0,0,1|2,0,0]=4 1006 B10R1.25 Cc1nc(F)ccc1C=O 1P004K07 [0,1,0,0,0,1|2,0,0]=4 1007 B10R1.25 Cc1nc(N)ccc1C=C 1P0223GE [0,1,0,0,0,1|1,0,0]=3 1008 B10R1.25 Nc1ccc(c(n1)F)C=C 1P028F4J [0,1,0,0,0,1|2,0,0]=4 1009 B10R1.25 O=Cc1cnc(nc1C)C 1P01A6HN [0,1,0,0,0,1|2,0,0]=4 1010 B10R1.61 CC(=O)c1cccnc1C 1P00APS4 [0,1,0,0,0,1|1,0,1]=4 1011 B10R1.61 CC(=O)c1ccncc1C 1P00G65L [0,1,0,0,0,1|1,0,1]=4 1012 B10R1.61 CC(=O)c1cncnc1C 1P01AGIT [0,1,0,0,0,1|1,0,1]=4 1013 B10R1.61 CC(=O)c1nccnc1C 1P0033J9 [0,1,0,0,0,1|1,0,1]=4 1014 B10R1.61 NC(=O)c1cccnc1C 1P0036DJ [0,1,0,0,0,1|2,0,0]=4 1015 B10R1.61 NC(=O)c1ccncc1C 1P002QZ3 [0,1,0,0,0,1|2,0,0]=4 1016 B10R1.61 OC(=O)c1cccnc1C 1P003I6J [0,1,0,0,0,1|2,0,0]=4 1017 B10R1.61 OC(=O)c1cccnc1C 1P007Q5X [0,1,0,0,0,1|2,0,0]=4 1018 B10R1.61 OC(=O)c1ccncc1C 1P0039KX [0,1,0,0,0,1|2,0,0]=4 1019 B10R1.61 OC(=O)c1ccncc1C 1P00ELDZ [0,1,0,0,0,1|2,0,0]=4 1020 B10R1.61 OC(=O)c1ccnnc1C 1P00II15 [0,1,0,0,0,1|2,0,0]=4 1021 B10R1.61 OC(=O)c1cncnc1C 1P001PV1 [0,1,0,0,0,1|2,0,0]=4 1022 B10R1.61 OC(=O)c1nccnc1C 1P003485 [0,1,0,0,0,1|2,0,0]=4 1023 B10R1.61 OC(=O)c1ncncc1C 1P00II0M [0,1,0,0,0,1|2,0,0]=4 1024 B10R1.245 C=Cc1c(Br)ccnc1O 1P00ILLH [0,1,0,0,0,1|2,0,0]=4 1025 B10R1.245 C=Cc1c(C)cccc1C 1P0029NX [0,1,0,0,0,1|2,0,0]=4 1026 B10R1.245 C=Cc1c(Cl)ccnc1O 1P00ILVG [0,1,0,0,0,1|2,0,0]=4 1027 B10R1.245 C=Cc1c(F)ccnc1O 1P00ILLA [0,1,0,0,0,1|2,0,0]=4 1028 B10R1.245 C=Cc1c(I)ccnc1O 1P00IL4V [0,1,0,0,0,1|2,0,0]=4 1029 B10R1.245 O=Cc1c(C)ccnc1C 1P001Y87 [0,1,0,0,0,1|2,0,0]=4 1030 B10R1.245 O=Cc1c(C)cncc1C 1P002DRK [0,1,0,0,0,1|2,0,0]=4 1031 B10R1.245 O=Cc1c(C)ncnc1C 1P020534 [0,1,0,0,0,1|2,0,0]=4 1032 B10R1.32 CCc1nc(sc1CO)C 1P008VKY [0,2,0,0,0,0|1,0,1]=4 1033 B10R1.39 CCc1ccsc1C(=O)N 1P00BBLN [0,2,0,0,0,0|2,0,0]=4 1034 B10R1.39 CCc1ccsc1C(=O)O 1P005GFH [0,2,0,0,0,0|2,0,0]=4 1035 B10R1.39 CCc1nc[nH]c1C(=O)O 1P01B2NU [0,2,0,0,0,0|2,0,0]=4 1036 B10R1.39 CCc1ncoc1C(=O)O 1P01ALX9 [0,2,0,0,0,0|1,1,0]=4 1037 B10R1.39 CCc1ncsc1C(=O)O 1P000TW3 [0,2,0,0,0,0|1,0,0]=3 1038 B10R1.39 CCc1nnsc1C(=O)O 1P0027XU [0,2,0,0,0,0|2,0,0]=4 1039 B10R1.39 COc1ccsc1C(=O)C 1P00DJQD [0,2,0,0,0,0|1,0,1]=4 1040 B10R1.39 COc1ccsc1C(=O)Cl 1P01BFQP [0,2,0,0,0,0|2,0,0]=4 1041 B10R1.39 COc1ccsc1C(=O)N 1P00GHE0 [0,2,0,0,0,0|2,0,0]=4 1042 B10R1.39 COc1ccsc1C(=O)O 1P00EAY2 [0,2,0,0,0,0|2,0,0]=4 1043 B10R1.39 CSc1ccsc1C(=O)O 1P01ABYI [0,2,0,0,0,0|2,0,0]=4 1044 B10R1.39 NCc1ccsc1C(=O)O 1P01FIWQ [0,2,0,0,0,0|2,0,0]=4 1045 B10R1.39 NCc1nc[nH]c1C(=O)O 1P028BSJ [0,2,0,0,0,0|2,0,0]=4 1046 B10R1.39 OCc1ccsc1C(=O)O 1P01R06P [0,2,0,0,0,0|2,0,0]=4 1047 B10R1.39 OCc1nnsc1C(=O)O 1P0027XQ [0,2,0,0,0,0|2,0,0]=4 1048 B10R1.34 O=Cc1sc(c(c1C)Br)Br 1P00C4S5 [0,2,0,0,0,0|2,0,0]=4 1049 B10R1.34 O=Cc1sc(c(c1C)Br)C 1P0291FB [0,2,0,0,0,0|2,0,0]=4 1050 B10R1.34 O=Cc1sc(c(c1C)C)Br 1P028IM1 [0,2,0,0,0,0|2,0,0]=4 1051 B10R1.34 O=Cc1sc(c(c1C)C)C 1P008N1P [0,2,0,0,0,0|2,0,0]=4 1052 B10R1.35 CCc1nc(c([nH]1)C=O)C 1P004ANQ [0,2,0,0,0,0|2,0,0]=4 1053 B10R1.35 CCc1nc(c(s1)CN)C 1P00J2A0 [0,2,0,0,0,0|1,0,1]=4 1054 B10R1.35 COc1nc(c(s1)C=O)Cl 1P00J8KS [0,2,0,0,0,0|2,0,0]=4 1055 B10R1.35 O=Cc1sc(cc1C)C#N 1P027XFY [0,2,0,0,0,0|2,0,0]=4 1056 B10R1.59 Brc1cc(c(s1)C(=O)O)C 1P00C7LV [0,2,0,0,0,0|2,0,0]=4 1057 B10R1.59 Brc1nc(c(o1)C(=O)O)C 1P000AWF [0,2,0,0,0,0|1,1,0]=4 1058 B10R1.59 Brc1nc(c(s1)C(=O)C)C 1P0091W5 [0,2,0,0,0,0|0,0,1]=3 1059 B10R1.59 Brc1nc(c(s1)C(=O)N)C 1P01JHK8 [0,2,0,0,0,0|1,0,0]=3 1060 B10R1.59 Brc1nc(c(s1)C(=O)O)Br 1P001BXM [0,2,0,0,0,0|2,0,0]=4 1061 B10R1.59 Brc1nc(c(s1)C(=O)O)C 1P003H5E [0,2,0,0,0,0|1,0,0]=3 1062 B10R1.59 Brc1nc(c(s1)C(=O)O)Cl 1P001BXJ [0,2,0,0,0,0|2,0,0]=4 1063 B10R1.59 Cc1cc(c(s1)C(=O)O)C 1P01BXXD [0,2,0,0,0,0|2,0,0]=4 1064 B10R1.59 Cc1nc(c(o1)C(=O)C)C 1P002MBG [0,2,0,0,0,0|0,1,1]=4 1065 B10R1.59 Cc1nc(c(o1)C(=O)Cl)C 1P005V9T [0,2,0,0,0,0|1,1,0]=4 1066 B10R1.59 Cc1nc(c(o1)C(=O)N)C 1P00A8G6 [0,2,0,0,0,0|1,1,0]=4 1067 B10R1.59 Cc1nc(c(o1)C(=O)O)C 1P002QXO [0,2,0,0,0,0|1,1,0]=4 1068 B10R1.59 Cc1nc(c(s1)C(=O)C)C 1P0038FG [0,2,0,0,0,0|0,0,1]=3 1069 B10R1.59 Cc1nc(c(s1)C(=O)C)C 1P00487J [0,2,0,0,0,0|0,0,1]=3 1070 B10R1.59 Cc1nc(c(s1)C(=O)O)Br 1P0293DI [0,2,0,0,0,0|2,0,0]=4 1071 B10R1.59 Cc1nc(c(s1)C(=O)O)C 1P0033GI [0,2,0,0,0,0|1,0,0]=3 1072 B10R1.59 Cc1nc(c(s1)C(N)C)C 1P00998X [0,2,0,0,0,0|0,0,2]=4 1073 B10R1.59 Cc1nc(c(s1)C(O)C)C 1P019YAA [0,2,0,0,0,0|0,0,2]=4 1074 B10R1.59 Clc1nc(c(s1)C(=O)C)C 1P00BKG0 [0,2,0,0,0,0|0,0,1]=3 1075 B10R1.59 Clc1nc(c(s1)C(=O)C)Cl 1P01PX59 [0,2,0,0,0,0|1,0,1]=4 1076 B10R1.59 Clc1nc(c(s1)C(=O)O)C 1P0076IS [0,2,0,0,0,0|1,0,0]=3 1077 B10R1.59 Clc1nc(c(s1)C(=O)O)Cl 1P00EIT8 [0,2,0,0,0,0|2,0,0]=4 1078 B10R1.59 Fc1cc(c(s1)C(=O)O)C 1P02870P [0,2,0,0,0,0|2,0,0]=4 1079 B10R1.59 Nc1nc(c(s1)C(=O)C)C 1P0031KT [0,2,0,0,0,0|0,0,1]=3 1080 B10R1.59 Nc1nc(c(s1)C(=O)C)C 1P019LN4 [0,2,0,0,0,0|0,0,1]=3 1081 B10R1.59 Nc1nc(c(s1)C(=O)O)C 1P005PJW [0,2,0,0,0,0|1,0,0]=3 1082 B10R1.59 Nc1nc(c(s1)C(=O)O)Cl 1P00HISK [0,2,0,0,0,0|2,0,0]=4 1083 B10R1.59 Nc1nc(c(s1)[N+](=O)[O-])C 1P00E9G4 [0,2,0,0,0,0|2,0,0]=4 1084 B10R1.59 OC(=O)c1[nH]c(nc1C)N 1P00J2ND [0,2,0,0,0,0|2,0,0]=4 1085 B10R1.59 Oc1nc(c(s1)C(=O)O)C 1P004DZR [0,2,0,0,0,0|1,0,0]=3 1086 B10R1.130 Cc1nc(sc1CC#N)C 1P00DC6L [0,2,0,0,0,0|0,0,2]=4 1087 B10R1.130 Cc1nc(sc1CCN)C 1P007KCV [0,2,0,0,0,0|0,0,2]=4 1088 B10R1.130 Cc1nc(sc1CCO)C 1P01C86A [0,2,0,0,0,0|0,0,2]=4 1089 B10R1.130 NCCc1sc(nc1C)N 1P00A47S [0,2,0,0,0,0|0,0,2]=4 1090 B10R1.130 NCCc1sc(nc1C)N 1P01DTW3 [0,2,0,0,0,0|0,0,2]=4 1091 B10R1.192 OC(=O)c1c(C)ncn1C 1P0053QN [0,2,0,0,0,0|2,0,0]=4 1092 B10R1.192 OC(=O)c1c(C)ncn1C 1P00I0FH [0,2,0,0,0,0|2,0,0]=4 1093 B10R1.192 OC(=O)c1c(C)ncn1O 1P0284I3 [0,2,0,0,0,0|2,0,0]=4 1094 B10R1.192 [O-]C(=O)c1c(C)ncn1C 1P028PP3 [0,2,0,0,0,0|2,0,0]=4 1095 B10R1.29 Cc1ncsc1CCCBr 1P028AQR [0,2,0,0,0,0|0,0,2]=4 1096 B10R1.29 Cc1ncsc1CCCCl 1P02917C [0,2,0,0,0,0|0,0,2]=4 1097 B10R1.29 Cc1ncsc1CCCN 1P00I6MO [0,2,0,0,0,0|0,0,2]=4 1098 B10R1.29 Cc1ncsc1CCCN 1P00J1HA [0,2,0,0,0,0|0,0,2]=4 1099 B10R1.29 Cc1ncsc1CCCO 1P00F4GG [0,2,0,0,0,0|0,0,2]=4 1100 B10R1.29 NC\C=C\c1ccnn1C 1P028BP0 [0,2,0,0,0,0|2,0,0]=4 1101 B10R1.64 CC(=O)Nc1scnc1Br 1P02878Q [0,2,0,0,0,0|1,0,1]=4 1102 B10R1.64 Cc1ncsc1CC(=O)O 1P003FDP [0,2,0,0,0,0|0,0,1]=3 1103 B10R1.64 OC(=O)Cc1sccc1C 1P01BHON [0,2,0,0,0,0|1,0,1]=4 1104 B10R1.149 CC(=NO)c1scnc1C 1P019NCU [0,2,0,0,0,0|0,0,1]=3 1105 B10R1.149 COC(=O)c1ocnc1C 1P002MBH [0,2,0,0,0,0|0,1,1]=4 1106 B10R1.149 COC(=O)c1sccc1C 1P003S9S [0,2,0,0,0,0|1,0,1]=4 1107 B10R1.149 COC(=O)c1scnc1Br 1P01EC7B [0,2,0,0,0,0|1,0,1]=4 1108 B10R1.149 COC(=O)c1scnc1C 1P003A58 [0,2,0,0,0,0|0,0,1]=3 1109 B10R1.149 COC(=O)c1scnc1Cl 1P00H9YK [0,2,0,0,0,0|1,0,1]=4 1110 B10R1.149 COC(=O)c1scnc1N 1P002VAF [0,2,0,0,0,0|1,0,1]=4 1111 B10R1.149 Cc1nc[nH]c1C(=O)NN 1P0063X7 [0,2,0,0,0,0|2,0,0]=4 1112 B10R1.149 Cc1ncoc1C(=O)CCl 1P01DW1X [0,2,0,0,0,0|0,1,1]=4 1113 B10R1.149 Cc1ncsc1C(=O)CCl 1P01DX76 [0,2,0,0,0,0|0,0,1]=3 1114 B10R1.149 Cc1ncsc1C(=O)CN 1P028526 [0,2,0,0,0,0|0,0,1]=3 1115 B10R1.149 Cc1ncsc1C(=O)NN 1P0063OL [0,2,0,0,0,0|1,0,0]=3 1116 B10R1.149 ClCC(=O)c1sccc1C 1P00DHWU [0,2,0,0,0,0|1,0,1]=4 1117 B10R1.149 ClCC(=O)c1snnc1C 1P01DVW9 [0,2,0,0,0,0|1,0,1]=4 1118 B10R1.149 NNC(=O)c1sccc1C 1P00C8X8 [0,2,0,0,0,0|2,0,0]=4 1119 B10R1.149 NNC(=O)c1snnc1C 1P005BZF [0,2,0,0,0,0|2,0,0]=4 1120 B10R1.194 OC(=O)c1scc(c1C)Br 1P002U68 [0,2,0,0,0,0|2,0,0]=4 1121 B10R1.194 OC(=O)c1scc(c1C)C 1P003WK4 [0,2,0,0,0,0|2,0,0]=4 1122 B10R1.194 OC(=O)c1scc(c1C)N 1P027VXQ [0,2,0,0,0,0|2,0,0]=4 1123 B8R1.2 C=Cc1ccncc1 1P0000N0 [0,0,1,1,0,0|1,0,1]=4 1124 B8R1.5 Brc1cccnc1C 1P00342P [0,0,1,1,0,0|2,0,0]=4 1125 B8R1.5 Brc1cncnc1C 1P007YVW [0,0,1,1,0,0|2,0,0]=4 1126 B8R1.5 Cc1ncccc1C 1P003G1A [0,0,1,1,0,0|1,0,1]=4 1127 B8R1.5 Clc1cccnc1C 1P008RBW [0,0,1,1,0,0|2,0,0]=4 1128 B8R1.5 Clc1cncnc1C 1P00DF1Z [0,0,1,1,0,0|2,0,0]=4 1129 B8R1.5 Fc1cccnc1C 1P001R2T [0,0,1,1,0,0|2,0,0]=4 1130 B8R1.5 Ic1cccnc1C 1P001NKR [0,0,1,1,0,0|2,0,0]=4 1131 B8R1.5 Ic1cncnc1C 1P00H1F1 [0,0,1,1,0,0|2,0,0]=4 1132 B8R1.5 Nc1cccnc1C 1P00341I [0,0,1,1,0,0|2,0,0]=4 1133 B8R1.5 Nc1cncnc1C 1P00C0LQ [0,0,1,1,0,0|2,0,0]=4 1134 B8R1.5 Oc1cccnc1C 1P00346K [0,0,1,1,0,0|2,0,0]=4 1135 B8R1.5 Oc1cncnc1C 1P0004JY [0,0,1,1,0,0|2,0,0]=4 1136 B8R1.4 Brc1cccc(n1)Br 1P0033HP [0,0,1,1,0,0|2,0,0]=4 1137 B8R1.4 Brc1cccc(n1)I 1P002NMA [0,0,1,1,0,0|2,0,0]=4 1138 B8R1.4 Brc1ccnc(c1)C 1P003LDY [0,0,1,1,0,0|2,0,0]=4 1139 B8R1.4 Brc1ccnc(c1)C 1P00J1W2 [0,0,1,1,0,0|2,0,0]=4 1140 B8R1.4 Brc1ccnc(n1)C 1P007TD4 [0,0,1,1,0,0|2,0,0]=4 1141 B8R1.4 Cc1cc[nH]c(=S)n1 1P003HYQ [0,0,1,1,0,0|1,0,1]=4 1142 B8R1.4 Cc1cccc(=O)[nH]1 1P00I6PQ [0,0,1,1,0,0|0,1,1]=4 1143 B8R1.4 Cc1cccc(=O)[nH]1 1P01A5YK [0,0,1,1,0,0|0,1,1]=4 1144 B8R1.4 Cc1cccc(c1)Br 1P003JM4 [0,0,1,1,0,0|2,0,0]=4 1145 B8R1.4 Cc1cccc(c1)C 1P0035QQ [0,0,1,1,0,0|2,0,0]=4 1146 B8R1.4 Cc1cccc(c1)Cl 1P00345C [0,0,1,1,0,0|2,0,0]=4 1147 B8R1.4 Cc1cccc(c1)F 1P00I7FR [0,0,1,1,0,0|2,0,0]=4 1148 B8R1.4 Cc1cccc(c1)I 1P003K2K [0,0,1,1,0,0|2,0,0]=4 1149 B8R1.4 Cc1cccc(c1)N 1P00348Z [0,0,1,1,0,0|2,0,0]=4 1150 B8R1.4 Cc1cccc(c1)N 1P003SN3 [0,0,1,1,0,0|2,0,0]=4 1151 B8R1.4 Cc1cccc(c1)O 1P003RX9 [0,0,1,1,0,0|1,1,0]=4 1152 B8R1.4 Cc1cccc(c1)S 1P003K79 [0,0,1,1,0,0|1,0,0]=3 1153 B8R1.4 Cc1cccc(n1)Br 1P003H7Q [0,0,1,1,0,0|1,0,0]=3 1154 B8R1.4 Cc1cccc(n1)C 1P0033IS [0,0,1,1,0,0|1,0,0]=3 1155 B8R1.4 Cc1cccc(n1)Cl 1P003HHO [0,0,1,1,0,0|1,0,0]=3 1156 B8R1.4 Cc1cccc(n1)F 1P003HRV [0,0,1,1,0,0|1,0,0]=3 1157 B8R1.4 Cc1cccc(n1)I 1P00EAYX [0,0,1,1,0,0|1,0,0]=3 1158 B8R1.4 Cc1cccc(n1)N 1P0024B7 [0,0,1,1,0,0|1,0,0]=3 1159 B8R1.4 Cc1cccc(n1)S 1P003HYW [0,0,1,1,0,0|0,0,0]=2 1160 B8R1.4 Cc1ccnc(c1)C 1P0039FY [0,0,1,1,0,0|1,0,1]=4 1161 B8R1.4 Cc1ccnc(c1)S 1P0076M3 [0,0,1,1,0,0|2,0,0]=4 1162 B8R1.4 Cc1ccnc(n1)Br 1P000V75 [0,0,1,1,0,0|2,0,0]=4 1163 B8R1.4 Cc1ccnc(n1)C 1P009I3B [0,0,1,1,0,0|2,0,0]=4 1164 B8R1.4 Cc1ccnc(n1)Cl 1P000URR [0,0,1,1,0,0|2,0,0]=4 1165 B8R1.4 Cc1ccnc(n1)I 1P000P6W [0,0,1,1,0,0|2,0,0]=4 1166 B8R1.4 Cc1ccnc(n1)N 1P003GW9 [0,0,1,1,0,0|2,0,0]=4 1167 B8R1.4 Cc1ccnc(n1)O 1P006UK2 [0,0,1,1,0,0|1,1,0]=4 1168 B8R1.4 Cc1ccnc(n1)S 1P00CI6Y [0,0,1,1,0,0|1,0,0]=3 1169 B8R1.4 Cc1cncc(n1)Br 1P00GSY8 [0,0,1,1,0,0|2,0,0]=4 1170 B8R1.4 Cc1cncc(n1)C 1P003GMF [0,0,1,1,0,0|2,0,0]=4 1171 B8R1.4 Cc1cncc(n1)Cl 1P003HHN [0,0,1,1,0,0|2,0,0]=4 1172 B8R1.4 Cc1cncc(n1)F 1P0286PL [0,0,1,1,0,0|2,0,0]=4 1173 B8R1.4 Cc1cncc(n1)N 1P003GZE [0,0,1,1,0,0|2,0,0]=4 1174 B8R1.4 Cc1nc[nH]c(=O)c1 1P00BXVE [0,0,1,1,0,0|2,0,0]=4 1175 B8R1.4 Cc1nc[nH]c(=O)c1 1P027YSW [0,0,1,1,0,0|2,0,0]=4 1176 B8R1.4 Cc1nc[nH]c(=S)c1 1P00DYAU [0,0,1,1,0,0|2,0,0]=4 1177 B8R1.4 Cc1ncnc(c1)Br 1P00375E [0,0,1,1,0,0|2,0,0]=4 1178 B8R1.4 Cc1ncnc(c1)C 1P001OOH [0,0,1,1,0,0|1,0,1]=4 1179 B8R1.4 Cc1ncnc(c1)Cl 1P0034KF [0,0,1,1,0,0|2,0,0]=4 1180 B8R1.4 Cc1ncnc(c1)I 1P01ALSV [0,0,1,1,0,0|2,0,0]=4 1181 B8R1.4 Cc1ncnc(c1)N 1P00I78P [0,0,1,1,0,0|2,0,0]=4 1182 B8R1.4 Cc1ncnc(c1)O 1P001PCL [0,0,1,1,0,0|2,0,0]=4 1183 B8R1.4 Clc1cccc(n1)Br 1P00D8GQ [0,0,1,1,0,0|2,0,0]=4 1184 B8R1.4 Clc1cccc(n1)Cl 1P0033I1 [0,0,1,1,0,0|2,0,0]=4 1185 B8R1.4 Clc1cccc(n1)I 1P0037YD [0,0,1,1,0,0|2,0,0]=4 1186 B8R1.4 Clc1ccnc(c1)C 1P003LKU [0,0,1,1,0,0|2,0,0]=4 1187 B8R1.4 Clc1ccnc(n1)C 1P00D9MU [0,0,1,1,0,0|2,0,0]=4 1188 B8R1.4 Fc1cccc(c1)S 1P003467 [0,0,1,1,0,0|2,0,0]=4 1189 B8R1.4 Fc1cccc(n1)Br 1P001JEO [0,0,1,1,0,0|2,0,0]=4 1190 B8R1.4 Fc1cccc(n1)Cl 1P002KDX [0,0,1,1,0,0|2,0,0]=4 1191 B8R1.4 Fc1cccc(n1)F 1P001NQB [0,0,1,1,0,0|2,0,0]=4 1192 B8R1.4 Fc1ccnc(c1)C 1P0038X5 [0,0,1,1,0,0|2,0,0]=4 1193 B8R1.4 Ic1cccc(n1)I 1P00DA07 [0,0,1,1,0,0|2,0,0]=4 1194 B8R1.4 Ic1ccnc(c1)C 1P007PF1 [0,0,1,1,0,0|2,0,0]=4 1195 B8R1.4 Ic1ccnc(n1)C 1P00IDV7 [0,0,1,1,0,0|2,0,0]=4 1196 B8R1.4 Nc1cccc(c1)S 1P002M3F [0,0,1,1,0,0|2,0,0]=4 1197 B8R1.4 Nc1cccc(n1)Br 1P002BO6 [0,0,1,1,0,0|2,0,0]=4 1198 B8R1.4 Nc1cccc(n1)Cl 1P003GYY [0,0,1,1,0,0|2,0,0]=4 1199 B8R1.4 Nc1cccc(n1)F 1P001RT3 [0,0,1,1,0,0|2,0,0]=4 1200 B8R1.4 Nc1cccc(n1)I 1P0049TH [0,0,1,1,0,0|2,0,0]=4 1201 B8R1.4 Nc1cccc(n1)I 1P0290TM [0,0,1,1,0,0|2,0,0]=4 1202 B8R1.4 Nc1cccc(n1)N 1P001G6V [0,0,1,1,0,0|2,0,0]=4 1203 B8R1.4 Nc1cccc(n1)N 1P007YE7 [0,0,1,1,0,0|2,0,0]=4 1204 B8R1.4 Nc1cccc(n1)O 1P009907 [0,0,1,1,0,0|1,1,0]=4 1205 B8R1.4 Nc1cccc(n1)O 1P00EJ34 [0,0,1,1,0,0|1,1,0]=4 1206 B8R1.4 Nc1ccnc(c1)C 1P003L5H [0,0,1,1,0,0|2,0,0]=4 1207 B8R1.4 Nc1ccnc(n1)C 1P005AMT [0,0,1,1,0,0|2,0,0]=4 1208 B8R1.4 Nc1ccnc(n1)S 1P00BYPV [0,0,1,1,0,0|2,0,0]=4 1209 B8R1.4 Oc1cccc(c1)S 1P00346Z [0,0,1,1,0,0|2,0,0]=4 1210 B8R1.4 Oc1cccc(n1)Br 1P003H7L [0,0,1,1,0,0|1,1,0]=4 1211 B8R1.4 Oc1cccc(n1)Cl 1P005NIM [0,0,1,1,0,0|1,1,0]=4 1212 B8R1.4 Oc1cccc(n1)F 1P006YCB [0,0,1,1,0,0|1,1,0]=4 1213 B8R1.4 Oc1cccc(n1)I 1P01DED2 [0,0,1,1,0,0|1,1,0]=4 1214 B8R1.4 Oc1cccc(n1)O 1P003GLI [0,0,1,1,0,0|1,1,0]=4 1215 B8R1.4 Oc1ccnc(c1)C 1P0034IL [0,0,1,1,0,0|2,0,0]=4 1216 B8R1.4 Oc1ccnc(n1)C 1P0062KT [0,0,1,1,0,0|1,1,0]=4 1217 B8R1.4 Oc1ccnc(n1)C 1P01KJLN [0,0,1,1,0,0|1,1,0]=4 1218 B8R1.4 Sc1cccc(c1)Br 1P003JM3 [0,0,1,1,0,0|2,0,0]=4 1219 B8R1.4 Sc1cccc(c1)Cl 1P003JSI [0,0,1,1,0,0|2,0,0]=4 1220 B8R1.4 Sc1cccc(c1)I 1P01BL0D [0,0,1,1,0,0|2,0,0]=4 1221 B8R1.4 Sc1cccc(c1)S 1P00331W [0,0,1,1,0,0|2,0,0]=4 1222 B8R1.4 [S-]c1ccnc(c1)C 1P01FLFM [0,0,1,1,0,0|2,0,0]=4 1223 B10R2.7 c1ccc2c(c1)C=CC2 1P0035HF [0,0,0,1,0,1|2,0,0]=4 1224 B10R2.7 c1cnc2c(c1)cc[nH]2 1P0034UH [0,0,0,1,0,1|2,0,0]=4 1225 B10R2.7 c1cnc2c(c1)cco2 1P007M4K [0,0,0,1,0,1|2,0,0]=4 1226 B10R2.7 c1cnc2c(c1)ccs2 1P00C1QT [0,0,0,1,0,1|2,0,0]=4 1227 B10R2.7 c1cnc2c(n1)[nH]cc2 1P00396J [0,0,0,1,0,1|2,0,0]=4 1228 B10R2.7 c1cnc2c(n1)scc2 1P00DIC9 [0,0,0,1,0,1|2,0,0]=4 1229 B10R2.7 c1ncc2c(c1)cc[nH]2 1P003NJR [0,0,0,1,0,1|2,0,0]=4 1230 B10R2.7 c1ncc2c(c1)cco2 1P00AQNP [0,0,0,1,0,1|2,0,0]=4 1231 B10R2.7 c1ncc2c(c1)ccs2 1P003V8O [0,0,0,1,0,1|2,0,0]=4 1232 B10R2.7 c1ncc2c(n1)[nH]cc2 1P0034UZ [0,0,0,1,0,1|2,0,0]=4 1233 B10R2.7 c1ncc2c(n1)cc[nH]2 1P00BFOW [0,0,0,1,0,1|2,0,0]=4 1234 B10R2.7 c1ncc2c(n1)ccs2 1P007LSA [0,0,0,1,0,1|2,0,0]=4 1235 B10R2.7 c1ncc2c(n1)scc2 1P007M40 [0,0,0,1,0,1|2,0,0]=4 1236 B10R2.7 c1nnc2c(c1)cc[nH]2 1P001XZQ [0,0,0,1,0,1|2,0,0]=4 1237 B10R2.32 Brc1csc2c1scc2 1P002R0M [0,1,0,1,0,0|2,0,0]=4 1238 B10R2.32 Brc1ncn2c1scc2 1P028RYX [0,1,0,1,0,0|2,0,0]=4 1239 B10R2.32 O=C1CCc2c1scc2 1P00EDFL [0,1,0,1,0,0|1,0,1]=4 1240 B10R2.32 O=C1NCc2c1scc2 1P00G7J7 [0,1,0,1,0,0|2,0,0]=4 1241 B10R2.2 Brc1sc2c(c1)scc2 1P002R0N [0,1,0,1,0,0|2,0,0]=4 1242 B10R2.2 Brc1sc2c(n1)CCC2 1P0084EX [0,1,0,1,0,0|0,0,2]=4 1243 B10R2.2 Brc1sc2c(n1)CNC2 1P01XH5O [0,1,0,1,0,0|1,0,1]=4 1244 B10R2.2 Brc1sc2c(n1)scc2 1P0285JG [0,1,0,1,0,0|1,0,0]=3 1245 B10R2.2 Cc1sc2c(n1)CNC2 1P01BRLU [0,1,0,1,0,0|1,0,1]=4 1246 B10R2.2 Cc1sc2c(n1)scc2 1P00IBD1 [0,1,0,1,0,0|1,0,0]=3 1247 B10R2.2 Clc1sc2c(n1)CCC2 1P00BTAG [0,1,0,1,0,0|0,0,2]=4 1248 B10R2.2 Nc1nc2c(s1)scc2 1P01AJSF [0,1,0,1,0,0|1,0,1]=4 1249 B10R2.2 Nc1sc2c(n1)CCC2 1P006UA1 [0,1,0,1,0,0|0,0,2]=4 1250 B10R2.2 Nc1sc2c(n1)CCC2 1P00G2WQ [0,1,0,1,0,0|0,0,2]=4 1251 B10R2.2 Nc1sc2c(n1)CCC2 1P01FJXE [0,1,0,1,0,0|0,0,2]=4 1252 B10R2.2 Nc1sc2c(n1)CNC2 1P028BS0 [0,1,0,1,0,0|1,0,1]=4 1253 B10R2.2 Nc1sc2c(n1)scc2 1P01ENLW [0,1,0,1,0,0|1,0,0]=3 1254 B10R2.2 S=c1sc2c(s1)ccs2 1P005QXR [0,1,0,1,0,0|2,0,0]=4 1255 B10R2.2 Sc1sc2c(c1)scc2 1P028ABV [0,1,0,1,0,0|2,0,0]=4 1256 B10R2.21 Cc1ncsc1C2CC2 1P0282DB [0,1,0,1,0,0|0,0,2]=4