0 B7R1.3 Br[13c]1[13cH][13cH][13cH][13cH][13cH]1 1P008T6V [0,0,0,0,0,0|1,0,0]=1 1 B7R1.3 Brc1cc[c]nc1 1P003MWR [0,0,0,0,0,0|2,0,1]=3 2 B7R1.3 Brc1ccccn1 1P0033NM [0,0,0,0,0,0|2,0,0]=2 3 B7R1.3 Brc1cccnc1 1P00343S [0,0,0,0,0,0|2,0,0]=2 4 B7R1.3 Brc1cccnn1 1P00343R [0,0,0,0,0,0|3,0,0]=3 5 B7R1.3 Brc1ccncc1 1P0034FC [0,0,0,0,0,0|2,0,0]=2 6 B7R1.3 Brc1ccncc1 1P0038SJ [0,0,0,0,0,0|2,0,0]=2 7 B7R1.3 Brc1ccncc1 1P00FDJY [0,0,0,0,0,0|2,0,0]=2 8 B7R1.3 Brc1ccncn1 1P0039MI [0,0,0,0,0,0|3,0,0]=3 9 B7R1.3 Brc1ccnnc1 1P000WQH [0,0,0,0,0,0|3,0,0]=3 10 B7R1.3 Brc1ccnnc1 1P00171L [0,0,0,0,0,0|3,0,0]=3 11 B7R1.3 Brc1cnccn1 1P0033NL [0,0,0,0,0,0|3,0,0]=3 12 B7R1.3 Brc1cnccn1 1P01ANMT [0,0,0,0,0,0|3,0,0]=3 13 B7R1.3 Brc1cncnc1 1P0034P7 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.3 Brc1cnnnc1 1P000AZ3 [0,0,0,0,0,0|4,0,0]=4 15 B7R1.3 Brc1ncccn1 1P00I90J [0,0,0,0,0,0|3,0,0]=3 16 B7R1.3 CC1=C=C[N]C=C1 1P008USL [0,0,0,0,0,0|2,0,1]=3 17 B7R1.3 C[n+]1ccccc1 1P003EZK [0,0,0,0,0,0|2,0,0]=2 18 B7R1.3 C[n+]1ccccc1 1P00GUZE [0,0,0,0,0,0|2,0,0]=2 19 B7R1.3 Cc1ccccn1 1P0023GU [0,0,0,0,0,0|2,0,0]=2 20 B7R1.3 Cc1ccccn1 1P0037Z6 [0,0,0,0,0,0|2,0,0]=2 21 B7R1.3 Cc1cccnc1 1P003486 [0,0,0,0,0,0|2,0,0]=2 22 B7R1.3 Cc1cccnn1 1P001UBK [0,0,0,0,0,0|3,0,0]=3 23 B7R1.3 Cc1ccncn1 1P003M9B [0,0,0,0,0,0|3,0,0]=3 24 B7R1.3 Cc1ccnnc1 1P00HCT0 [0,0,0,0,0,0|3,0,0]=3 25 B7R1.3 Cc1cnccn1 1P003I6Y [0,0,0,0,0,0|3,0,0]=3 26 B7R1.3 Cc1cncnc1 1P0029HT [0,0,0,0,0,0|3,0,0]=3 27 B7R1.3 Cc1ncccn1 1P003I70 [0,0,0,0,0,0|3,0,0]=3 28 B7R1.3 Cc1nccnn1 1P00C4US [0,0,0,0,0,0|4,0,0]=4 29 B7R1.3 ClC1=C[N]C=C=C1 1P00BI1M [0,0,0,0,0,0|2,0,1]=3 30 B7R1.3 Clc1c[c-]ccn1 1P008UMS [0,0,0,0,0,0|2,0,1]=3 31 B7R1.3 Clc1c[c-]ncc1 1P008S4G [0,0,0,0,0,0|2,0,1]=3 32 B7R1.3 Clc1ccccc1 1P003522 [0,0,0,0,0,0|1,0,0]=1 33 B7R1.3 Clc1cccnc1 1P003JSA [0,0,0,0,0,0|2,0,0]=2 34 B7R1.3 Clc1cccnn1 1P00345B [0,0,0,0,0,0|3,0,0]=3 35 B7R1.3 Clc1cccnn1 1P003ARR [0,0,0,0,0,0|3,0,0]=3 36 B7R1.3 Clc1ccncc1 1P0034H0 [0,0,0,0,0,0|2,0,0]=2 37 B7R1.3 Clc1ccncc1 1P003ACI [0,0,0,0,0,0|2,0,0]=2 38 B7R1.3 Clc1ccncn1 1P00276O [0,0,0,0,0,0|3,0,0]=3 39 B7R1.3 Clc1ccncn1 1P0029FC [0,0,0,0,0,0|3,0,0]=3 40 B7R1.3 Clc1ccncn1 1P0038PQ [0,0,0,0,0,0|3,0,0]=3 41 B7R1.3 Clc1ccnnc1 1P000J2M [0,0,0,0,0,0|3,0,0]=3 42 B7R1.3 Clc1ccnnc1 1P007DV7 [0,0,0,0,0,0|3,0,0]=3 43 B7R1.3 Clc1cnccn1 1P001L0E [0,0,0,0,0,0|3,0,0]=3 44 B7R1.3 Clc1cncnc1 1P007DV6 [0,0,0,0,0,0|3,0,0]=3 45 B7R1.3 Clc1n[c]ccn1 1P00DK24 [0,0,0,0,0,0|3,0,1]=4 46 B7R1.3 Clc1ncccn1 1P0033QC [0,0,0,0,0,0|3,0,0]=3 47 B7R1.3 Fc1ccccc1 1P0035E9 [0,0,0,0,0,0|1,0,0]=1 48 B7R1.3 Fc1ccccn1 1P0033SI [0,0,0,0,0,0|2,0,0]=2 49 B7R1.3 Fc1cccnc1 1P003JYE [0,0,0,0,0,0|2,0,0]=2 50 B7R1.3 Fc1ccncc1 1P0034IB [0,0,0,0,0,0|2,0,0]=2 51 B7R1.3 Fc1cnccn1 1P00D9L3 [0,0,0,0,0,0|3,0,0]=3 52 B7R1.3 Fc1cncnc1 1P0060KF [0,0,0,0,0,0|3,0,0]=3 53 B7R1.3 Fc1ncccn1 1P00I6G6 [0,0,0,0,0,0|3,0,0]=3 54 B7R1.3 Ic1ccccc1 1P0035HS [0,0,0,0,0,0|1,0,0]=1 55 B7R1.3 Ic1ccccn1 1P0036MH [0,0,0,0,0,0|2,0,0]=2 56 B7R1.3 Ic1cccnc1 1P003476 [0,0,0,0,0,0|2,0,0]=2 57 B7R1.3 Ic1cccnn1 1P01BGGD [0,0,0,0,0,0|3,0,0]=3 58 B7R1.3 Ic1ccncc1 1P001QR9 [0,0,0,0,0,0|2,0,0]=2 59 B7R1.3 Ic1ccncn1 1P00CLGQ [0,0,0,0,0,0|3,0,0]=3 60 B7R1.3 Ic1ccnnc1 1P019GH6 [0,0,0,0,0,0|3,0,0]=3 61 B7R1.3 Ic1cnccn1 1P0035HV [0,0,0,0,0,0|3,0,0]=3 62 B7R1.3 Ic1cncnc1 1P0037VD [0,0,0,0,0,0|3,0,0]=3 63 B7R1.3 Ic1ncccn1 1P00C7DI [0,0,0,0,0,0|3,0,0]=3 64 B7R1.3 N[13c]1[13cH][13cH][13cH][13cH][13cH]1 1P0003HD [0,0,0,0,0,0|1,0,0]=1 65 B7R1.3 N[n+]1ccccc1 1P003EEU [0,0,0,0,0,0|2,0,0]=2 66 B7R1.3 Nc1ccccc1 1P003OD2 [0,0,0,0,0,0|1,0,0]=1 67 B7R1.3 Nc1ccccc1 1P003OD4 [0,0,0,0,0,0|1,0,0]=1 68 B7R1.3 Nc1ccccc1 1P003OD5 [0,0,0,0,0,0|1,0,0]=1 69 B7R1.3 Nc1ccccc1 1P00DANN [0,0,0,0,0,0|1,0,0]=1 70 B7R1.3 Nc1ccccn1 1P00CMJB [0,0,0,0,0,0|2,0,0]=2 71 B7R1.3 Nc1cccnc1 1P003JEQ [0,0,0,0,0,0|2,0,0]=2 72 B7R1.3 Nc1cccnn1 1P003426 [0,0,0,0,0,0|3,0,0]=3 73 B7R1.3 Nc1cccnn1 1P0089JT [0,0,0,0,0,0|3,0,0]=3 74 B7R1.3 Nc1ccncc1 1P0039PA [0,0,0,0,0,0|2,0,0]=2 75 B7R1.3 Nc1ccncn1 1P00IAZ2 [0,0,0,0,0,0|3,0,0]=3 76 B7R1.3 Nc1ccnnc1 1P001CGL [0,0,0,0,0,0|3,0,0]=3 77 B7R1.3 Nc1ccnnc1 1P002JIJ [0,0,0,0,0,0|3,0,0]=3 78 B7R1.3 Nc1cnccn1 1P003H0L [0,0,0,0,0,0|3,0,0]=3 79 B7R1.3 Nc1cncnc1 1P0034NO [0,0,0,0,0,0|3,0,0]=3 80 B7R1.3 Nc1cnncn1 1P0050GR [0,0,0,0,0,0|4,0,0]=4 81 B7R1.3 Nc1ncccn1 1P0033L4 [0,0,0,0,0,0|3,0,0]=3 82 B7R1.3 Nc1nccnn1 1P003JAB [0,0,0,0,0,0|4,0,0]=4 83 B7R1.3 Nc1ncncn1 1P00BYVN [0,0,0,0,0,0|4,0,0]=4 84 B7R1.3 O=C1CCC=CN1 1P01BJJF [0,0,0,0,0,0|1,0,3]=4 85 B7R1.3 O=C1CCCC=C1 1P0033QS [0,0,0,0,0,0|0,0,4]=4 86 B7R1.3 O=C1CCNC=C1 1P002PGW [0,0,0,0,0,0|1,0,3]=4 87 B7R1.3 O=C1CCOC=C1 1P004TYE [0,0,0,0,0,0|1,0,3]=4 88 B7R1.3 O=C1CNCC=C1 1P028FY8 [0,0,0,0,0,0|1,0,3]=4 89 B7R1.3 O=C1COCC=C1 1P00IKIB [0,0,0,0,0,0|1,0,3]=4 90 B7R1.3 O=C1NCCC=C1 1P00EDGZ [0,0,0,0,0,0|1,0,3]=4 91 B7R1.3 O=C1OCCC=C1 1P003MQL [0,0,0,0,0,0|1,0,3]=4 92 B7R1.3 O=c1cc[nH]cc1 1P007C4C [0,0,0,0,0,0|1,0,1]=2 93 B7R1.3 O=c1cc[nH]nc1 1P001ZYO [0,0,0,0,0,0|2,0,1]=3 94 B7R1.3 O=c1cccc[nH]1 1P00HWQR [0,0,0,0,0,0|1,0,1]=2 95 B7R1.3 O=c1cccco1 1P003O98 [0,0,0,0,0,0|1,0,1]=2 96 B7R1.3 O=c1ccnc[nH]1 1P003967 [0,0,0,0,0,0|2,0,1]=3 97 B7R1.3 O=c1ccocc1 1P003LXT [0,0,0,0,0,0|1,0,1]=2 98 B7R1.3 O=c1cncc[nH]1 1P003HWP [0,0,0,0,0,0|2,0,1]=3 99 B7R1.3 OC1=CN=NCC1 1P001UCT [0,0,0,0,0,0|2,0,2]=4 100 B7R1.3 OC1CCC=CC1 1P0036YC [0,0,0,0,0,0|0,0,4]=4 101 B7R1.3 OC1CCCC=C1 1P003HL7 [0,0,0,0,0,0|0,0,4]=4 102 B7R1.3 OC1CNCC=C1 1P00CLDM [0,0,0,0,0,0|1,0,3]=4 103 B7R1.3 OC1COCC=C1 1P00E6GS [0,0,0,0,0,0|1,0,3]=4 104 B7R1.3 O[13c]1[13cH][13cH][13cH][13cH][13cH]1 1P00GVQD [0,0,0,0,0,0|0,0,0]=0 105 B7R1.3 O[C@@H]1CCCC=C1 1P007HSE [0,0,0,0,0,0|0,0,4]=4 106 B7R1.3 O[C@H]1CCCC=C1 1P01JFX5 [0,0,0,0,0,0|0,0,4]=4 107 B7R1.3 Oc1ccccc1 1P0000NN [0,0,0,0,0,0|0,0,0]=0 108 B7R1.3 Oc1ccccn1 1P003UF8 [0,0,0,0,0,0|1,0,0]=1 109 B7R1.3 Oc1ccccn1 1P003UIP [0,0,0,0,0,0|1,0,0]=1 110 B7R1.3 Oc1cccnc1 1P003K1M [0,0,0,0,0,0|1,0,0]=1 111 B7R1.3 Oc1cccnn1 1P00DEIH [0,0,0,0,0,0|2,0,0]=2 112 B7R1.3 Oc1ccncc1 1P0034J8 [0,0,0,0,0,0|1,0,0]=1 113 B7R1.3 Oc1ccncn1 1P003M0J [0,0,0,0,0,0|2,0,0]=2 114 B7R1.3 Oc1ccnnc1 1P002JFR [0,0,0,0,0,0|2,0,0]=2 115 B7R1.3 Oc1cnccn1 1P000N6P [0,0,0,0,0,0|2,0,0]=2 116 B7R1.3 Oc1cncnc1 1P002TRI [0,0,0,0,0,0|2,0,0]=2 117 B7R1.3 Oc1ncccn1 1P003HWR [0,0,0,0,0,0|2,0,0]=2 118 B7R1.3 Oc1ncccn1 1P00DGHM [0,0,0,0,0,0|2,0,0]=2 119 B7R1.3 Pc1ccccc1 1P003U5W [0,0,0,0,0,0|1,0,0]=1 120 B7R1.3 S=c1cccc[nH]1 1P002TDH [0,0,0,0,0,0|1,1,0]=2 121 B7R1.3 S=c1cccn[nH]1 1P002W4Y [0,0,0,0,0,0|2,1,0]=3 122 B7R1.3 S=c1ccnc[nH]1 1P001KWU [0,0,0,0,0,0|2,1,0]=3 123 B7R1.3 S=c1nccc[nH]1 1P001KWV [0,0,0,0,0,0|2,1,0]=3 124 B7R1.3 Sc1cccnc1 1P001SU2 [0,0,0,0,0,0|1,1,0]=2 125 B7R1.3 Sc1ccncc1 1P003MH8 [0,0,0,0,0,0|1,1,0]=2 126 B7R1.3 Sc1cnccn1 1P003HZ3 [0,0,0,0,0,0|2,1,0]=3 127 B7R1.3 Sc1ncccn1 1P000W8T [0,0,0,0,0,0|2,1,0]=3 128 B7R1.3 [15NH2]c1ccccc1 1P00FDEF [0,0,0,0,0,0|1,0,0]=1 129 B7R1.3 [BH3-][n+]1ccccc1 1P003OZK [0,0,0,0,0,0|2,0,0]=2 130 B7R1.3 [NH3+]c1ccccc1 1P00DL00 [0,0,0,0,0,0|1,0,0]=1 131 B7R1.3 [O-][n+]1ccccc1 1P00360I [0,0,0,0,0,0|1,0,1]=2 132 B7R1.3 [O-][n+]1ccccn1 1P001DSO [0,0,0,0,0,0|2,0,1]=3 133 B7R1.3 [O-][n+]1ccncc1 1P006XB5 [0,0,0,0,0,0|2,0,1]=3 134 B7R1.3 [O]c1cncnc1 1P002VWK [0,0,0,0,0,0|2,0,1]=3 135 B7R1.3 [S-]c1ccccc1 1P00BLKE [0,0,0,0,0,0|0,1,0]=1 136 B7R1.3 [SeH]c1ccccc1 1P003U6T [0,0,0,0,0,0|0,1,0]=1 137 B7R1.3 [SiH3]c1ccccc1 1P0039OY [0,0,0,0,0,0|1,0,0]=1 138 B6R1.1 C1=CCC=CC1 1P003E40 [1,0,0,0,0,0|0,0,2]=3 139 B6R1.1 C1CC=CC=C1 1P00E9LK [1,0,0,0,0,0|0,0,2]=3 140 B6R1.1 [13cH]1[13cH][13cH][13cH][13cH][13cH]1 1P00C19H [1,0,0,0,0,0|0,0,0]=1 141 B6R1.1 c1[c-]cccc1 1P003VM5 [1,0,0,0,0,0|0,0,1]=2 142 B6R1.1 c1[c-]cccc1 1P01EBEV [1,0,0,0,0,0|0,0,1]=2 143 B6R1.1 c1[c]cccc1 1P003OQP [1,0,0,0,0,0|0,0,1]=2 144 B6R1.1 c1[c]cccc1 1P00C85G [1,0,0,0,0,0|0,0,1]=2 145 B6R1.1 c1ccc[nH+]c1 1P01FFZ4 [1,0,0,0,0,0|1,0,0]=2 146 B6R1.1 c1ccc[o+]c1 1P01X6D0 [1,0,0,0,0,0|1,0,0]=2 147 B6R1.1 c1ccccc1 1P000X4T [1,0,0,0,0,0|0,0,0]=1 148 B6R1.1 c1ccccc1 1P00I7TI [1,0,0,0,0,0|0,0,0]=1 149 B6R1.1 c1cccnc1 1P001LMB [1,0,0,0,0,0|1,0,0]=2 150 B6R1.1 c1cccnc1 1P001LVP [1,0,0,0,0,0|1,0,0]=2 151 B6R1.1 c1cccnc1 1P001P9C [1,0,0,0,0,0|1,0,0]=2 152 B6R1.1 c1cccnc1 1P002H86 [1,0,0,0,0,0|1,0,0]=2 153 B6R1.1 c1cccnc1 1P002T3E [1,0,0,0,0,0|1,0,0]=2 154 B6R1.1 c1cccnc1 1P002TJT [1,0,0,0,0,0|1,0,0]=2 155 B6R1.1 c1cccnc1 1P00360F [1,0,0,0,0,0|1,0,0]=2 156 B6R1.1 c1cccnc1 1P00360J [1,0,0,0,0,0|1,0,0]=2 157 B6R1.1 c1cccnc1 1P003UJB [1,0,0,0,0,0|1,0,0]=2 158 B6R1.1 c1cccnc1 1P00ACBP [1,0,0,0,0,0|1,0,0]=2 159 B6R1.1 c1cccnc1 1P00ADJU [1,0,0,0,0,0|1,0,0]=2 160 B6R1.1 c1cccnc1 1P00DE7T [1,0,0,0,0,0|1,0,0]=2 161 B6R1.1 c1cccnc1 1P00E9FY [1,0,0,0,0,0|1,0,0]=2 162 B6R1.1 c1cccnc1 1P01QOUU [1,0,0,0,0,0|1,0,0]=2 163 B6R1.1 c1ccncn1 1P003UJJ [1,0,0,0,0,0|2,0,0]=3 164 B6R1.1 c1ccnnc1 1P00360E [1,0,0,0,0,0|2,0,0]=3 165 B6R1.1 c1ccnnc1 1P00E9DW [1,0,0,0,0,0|2,0,0]=3 166 B6R1.1 n1ccncc1 1P002VMV [1,0,0,0,0,0|2,0,0]=3 167 B6R1.1 n1cncnc1 1P002VMI [1,0,0,0,0,0|3,0,0]=4 168 B8R1.2 BrCc1ccccc1 1P0000N4 [0,1,0,0,0,0|1,0,0]=2 169 B8R1.2 BrCc1ccccn1 1P00BC33 [0,1,0,0,0,0|2,0,0]=3 170 B8R1.2 BrCc1cccnc1 1P0033XF [0,1,0,0,0,0|2,0,0]=3 171 B8R1.2 BrCc1cccnn1 1P001L60 [0,1,0,0,0,0|3,0,0]=4 172 B8R1.2 BrCc1ccncc1 1P00349W [0,1,0,0,0,0|2,0,0]=3 173 B8R1.2 BrCc1ccncn1 1P0013LN [0,1,0,0,0,0|3,0,0]=4 174 B8R1.2 BrCc1ccnnc1 1P01V2SC [0,1,0,0,0,0|3,0,0]=4 175 B8R1.2 BrCc1cnccn1 1P001ID7 [0,1,0,0,0,0|3,0,0]=4 176 B8R1.2 BrCc1cncnc1 1P00H1HO [0,1,0,0,0,0|3,0,0]=4 177 B8R1.2 BrCc1ncccn1 1P00IA52 [0,1,0,0,0,0|3,0,0]=4 178 B8R1.2 BrCc1ncccn1 1P023O77 [0,1,0,0,0,0|3,0,0]=4 179 B8R1.2 Br[Mg]c1ccccc1 1P0000NW [0,1,0,0,0,0|1,0,0]=2 180 B8R1.2 Br[Se]c1ccccc1 1P00399Q [0,1,0,0,0,0|0,1,0]=2 181 B8R1.2 C#Cc1ccccc1 1P0037R1 [0,1,0,0,0,0|1,0,0]=2 182 B8R1.2 C#Cc1ccccn1 1P003HOZ [0,1,0,0,0,0|2,0,0]=3 183 B8R1.2 C#Cc1cccnc1 1P002QXU [0,1,0,0,0,0|2,0,0]=3 184 B8R1.2 C#Cc1cccnn1 1P00060E [0,1,0,0,0,0|3,0,0]=4 185 B8R1.2 C#Cc1ccncc1 1P002QXV [0,1,0,0,0,0|2,0,0]=3 186 B8R1.2 C#Cc1ccncc1 1P0034HI [0,1,0,0,0,0|2,0,0]=3 187 B8R1.2 C#Cc1ccncn1 1P000PRI [0,1,0,0,0,0|3,0,0]=4 188 B8R1.2 C#Cc1cnccn1 1P00ADUU [0,1,0,0,0,0|3,0,0]=4 189 B8R1.2 C#Cc1cncnc1 1P00387D [0,1,0,0,0,0|3,0,0]=4 190 B8R1.2 C#Cc1ncccn1 1P0037ZB [0,1,0,0,0,0|3,0,0]=4 191 B8R1.2 C=C[n+]1ccccc1 1P01EWMV [0,1,0,0,0,0|2,0,0]=3 192 B8R1.2 C=Cc1ccccc1 1P0000N1 [0,1,0,0,0,0|1,0,0]=2 193 B8R1.2 C=Cc1ccccc1 1P00C4A8 [0,1,0,0,0,0|1,0,0]=2 194 B8R1.2 C=Cc1cccnc1 1P003491 [0,1,0,0,0,0|2,0,0]=3 195 B8R1.2 C=Cc1cccnn1 1P01E0FL [0,1,0,0,0,0|3,0,0]=4 196 B8R1.2 C=Cc1ccncc1 1P0000N0 [0,1,0,0,0,0|2,0,0]=3 197 B8R1.2 C=Cc1cnccn1 1P003IFF [0,1,0,0,0,0|3,0,0]=4 198 B8R1.2 C=Cc1cncnc1 1P00DHZ5 [0,1,0,0,0,0|3,0,0]=4 199 B8R1.2 C=Cc1ncccn1 1P00DIF0 [0,1,0,0,0,0|3,0,0]=4 200 B8R1.2 CCN1CC=CC=C1 1P004M7X [0,1,0,0,0,0|2,0,1]=4 201 B8R1.2 CC[n+]1ccccc1 1P002F4L [0,1,0,0,0,0|2,0,0]=3 202 B8R1.2 CC[n+]1ccccc1 1P002M2C [0,1,0,0,0,0|2,0,0]=3 203 B8R1.2 CC[n+]1ccccc1 1P00CL4T [0,1,0,0,0,0|2,0,0]=3 204 B8R1.2 CCc1ccccc1 1P0000N2 [0,1,0,0,0,0|1,0,0]=2 205 B8R1.2 CCc1ccccn1 1P0000NJ [0,1,0,0,0,0|2,0,0]=3 206 B8R1.2 CCc1cccnc1 1P00DE9B [0,1,0,0,0,0|2,0,0]=3 207 B8R1.2 CCc1cccnn1 1P00BI37 [0,1,0,0,0,0|3,0,0]=4 208 B8R1.2 CCc1ccncc1 1P003LT3 [0,1,0,0,0,0|2,0,0]=3 209 B8R1.2 CCc1ccncn1 1P0030XP [0,1,0,0,0,0|3,0,0]=4 210 B8R1.2 CCc1cnccn1 1P003HNC [0,1,0,0,0,0|3,0,0]=4 211 B8R1.2 CCc1cncnc1 1P002RAM [0,1,0,0,0,0|3,0,0]=4 212 B8R1.2 CCc1ncccn1 1P00EGF2 [0,1,0,0,0,0|3,0,0]=4 213 B8R1.2 CNc1ccccc1 1P0000NT [0,1,0,0,0,0|1,0,0]=2 214 B8R1.2 CNc1ccccc1 1P003TNS [0,1,0,0,0,0|1,0,0]=2 215 B8R1.2 CNc1ccccn1 1P003TP7 [0,1,0,0,0,0|2,0,0]=3 216 B8R1.2 CNc1cccnc1 1P00289C [0,1,0,0,0,0|2,0,0]=3 217 B8R1.2 CNc1cccnn1 1P00DM46 [0,1,0,0,0,0|3,0,0]=4 218 B8R1.2 CNc1ccncc1 1P007CLZ [0,1,0,0,0,0|2,0,0]=3 219 B8R1.2 CNc1ccncn1 1P00CCF5 [0,1,0,0,0,0|3,0,0]=4 220 B8R1.2 CNc1ccnnc1 1P0035V9 [0,1,0,0,0,0|3,0,0]=4 221 B8R1.2 CNc1cnccn1 1P00CL7Z [0,1,0,0,0,0|3,0,0]=4 222 B8R1.2 CNc1cncnc1 1P00CMNJ [0,1,0,0,0,0|3,0,0]=4 223 B8R1.2 CNc1ncccn1 1P00H1G9 [0,1,0,0,0,0|3,0,0]=4 224 B8R1.2 COc1[c-]nccc1 1P008UE4 [0,1,0,0,0,0|1,0,1]=3 225 B8R1.2 COc1ccccc1 1P0000NO [0,1,0,0,0,0|0,0,0]=1 226 B8R1.2 COc1ccccn1 1P001TWH [0,1,0,0,0,0|1,0,0]=2 227 B8R1.2 COc1cccnc1 1P00347L [0,1,0,0,0,0|1,0,0]=2 228 B8R1.2 COc1cccnn1 1P002F5K [0,1,0,0,0,0|2,0,0]=3 229 B8R1.2 COc1ccncc1 1P003M5N [0,1,0,0,0,0|1,0,0]=2 230 B8R1.2 COc1ccncn1 1P00EFLG [0,1,0,0,0,0|2,0,0]=3 231 B8R1.2 COc1ccnnc1 1P002JGU [0,1,0,0,0,0|2,0,0]=3 232 B8R1.2 COc1cnccn1 1P003I17 [0,1,0,0,0,0|2,0,0]=3 233 B8R1.2 COc1cncnc1 1P00BXRG [0,1,0,0,0,0|2,0,0]=3 234 B8R1.2 COc1ncccn1 1P003I1A [0,1,0,0,0,0|2,0,0]=3 235 B8R1.2 CSc1ccccc1 1P0000NM [0,1,0,0,0,0|0,1,0]=2 236 B8R1.2 CSc1ccccn1 1P00AP6U [0,1,0,0,0,0|1,1,0]=3 237 B8R1.2 CSc1cccnc1 1P002H17 [0,1,0,0,0,0|1,1,0]=3 238 B8R1.2 CSc1ccncc1 1P00CCG6 [0,1,0,0,0,0|1,1,0]=3 239 B8R1.2 CSc1cnccn1 1P003BJ9 [0,1,0,0,0,0|2,1,0]=4 240 B8R1.2 CSc1cncnc1 1P009JCV [0,1,0,0,0,0|2,1,0]=4 241 B8R1.2 CSc1ncccn1 1P00G4ZC [0,1,0,0,0,0|2,1,0]=4 242 B8R1.2 C[SiH2]c1ccccc1 1P005JR8 [0,1,0,0,0,0|1,0,0]=2 243 B8R1.2 ClCc1ccccn1 1P0033BZ [0,1,0,0,0,0|2,0,0]=3 244 B8R1.2 ClCc1ccccn1 1P0073L5 [0,1,0,0,0,0|2,0,0]=3 245 B8R1.2 ClCc1cccnc1 1P005WS5 [0,1,0,0,0,0|2,0,0]=3 246 B8R1.2 ClCc1cccnn1 1P00BJDE [0,1,0,0,0,0|3,0,0]=4 247 B8R1.2 ClCc1ccncc1 1P0023Y0 [0,1,0,0,0,0|2,0,0]=3 248 B8R1.2 ClCc1ccncn1 1P00349Y [0,1,0,0,0,0|3,0,0]=4 249 B8R1.2 ClCc1ccnnc1 1P028UKA [0,1,0,0,0,0|3,0,0]=4 250 B8R1.2 ClCc1cnccn1 1P002KZH [0,1,0,0,0,0|3,0,0]=4 251 B8R1.2 ClCc1cncnc1 1P009EMG [0,1,0,0,0,0|3,0,0]=4 252 B8R1.2 ClCc1ncccn1 1P003FHC [0,1,0,0,0,0|3,0,0]=4 253 B8R1.2 ClCc1ncccn1 1P00DEW1 [0,1,0,0,0,0|3,0,0]=4 254 B8R1.2 Cl[Mg]c1ccccc1 1P0000NV [0,1,0,0,0,0|1,0,0]=2 255 B8R1.2 Cl[Se]c1ccccc1 1P0035XY [0,1,0,0,0,0|0,1,0]=2 256 B8R1.2 FCc1cccnc1 1P004R6V [0,1,0,0,0,0|2,0,0]=3 257 B8R1.2 FCc1ccncc1 1P004SSU [0,1,0,0,0,0|2,0,0]=3 258 B8R1.2 ICc1ccccc1 1P0037QF [0,1,0,0,0,0|1,0,0]=2 259 B8R1.2 ICc1cccnc1 1P005TG6 [0,1,0,0,0,0|2,0,0]=3 260 B8R1.2 ICc1ccncc1 1P001AK8 [0,1,0,0,0,0|2,0,0]=3 261 B8R1.2 N#Cc1ccccc1 1P0000MW [0,1,0,0,0,0|1,0,0]=2 262 B8R1.2 N#Cc1ccccc1 1P001LN2 [0,1,0,0,0,0|1,0,0]=2 263 B8R1.2 N#Cc1ccccc1 1P003OQS [0,1,0,0,0,0|1,0,0]=2 264 B8R1.2 N#Cc1ccccn1 1P0000NK [0,1,0,0,0,0|2,0,0]=3 265 B8R1.2 N#Cc1cccnc1 1P0000O0 [0,1,0,0,0,0|2,0,0]=3 266 B8R1.2 N#Cc1ccncc1 1P0000MV [0,1,0,0,0,0|2,0,0]=3 267 B8R1.2 N#Cc1ccncn1 1P003LQB [0,1,0,0,0,0|3,0,0]=4 268 B8R1.2 N#Cc1ccnnc1 1P0061S0 [0,1,0,0,0,0|3,0,0]=4 269 B8R1.2 N#Cc1cncnc1 1P003NF6 [0,1,0,0,0,0|3,0,0]=4 270 B8R1.2 N#Cc1ncccn1 1P001D8I [0,1,0,0,0,0|3,0,0]=4 271 B8R1.2 N#[N+]c1ccccc1 1P00CLKS [0,1,0,0,0,0|1,0,0]=2 272 B8R1.2 NCc1ccccc1 1P0000MX [0,1,0,0,0,0|1,0,0]=2 273 B8R1.2 NCc1ccccc1 1P003OLG [0,1,0,0,0,0|1,0,0]=2 274 B8R1.2 NCc1ccccc1 1P00BYUK [0,1,0,0,0,0|1,0,0]=2 275 B8R1.2 NCc1ccccc1 1P00DH5Y [0,1,0,0,0,0|1,0,0]=2 276 B8R1.2 NCc1ccccn1 1P003IDS [0,1,0,0,0,0|2,0,0]=3 277 B8R1.2 NCc1cccnc1 1P003UIR [0,1,0,0,0,0|2,0,0]=3 278 B8R1.2 NCc1cccnc1 1P01XEWA [0,1,0,0,0,0|2,0,0]=3 279 B8R1.2 NCc1cccnn1 1P00GS3J [0,1,0,0,0,0|3,0,0]=4 280 B8R1.2 NCc1cccnn1 1P01JUG1 [0,1,0,0,0,0|3,0,0]=4 281 B8R1.2 NCc1ccncc1 1P0034LV [0,1,0,0,0,0|2,0,0]=3 282 B8R1.2 NCc1ccncc1 1P00ED63 [0,1,0,0,0,0|2,0,0]=3 283 B8R1.2 NCc1ccncn1 1P000A6H [0,1,0,0,0,0|3,0,0]=4 284 B8R1.2 NCc1ccncn1 1P0038A7 [0,1,0,0,0,0|3,0,0]=4 285 B8R1.2 NCc1ccncn1 1P00EMBN [0,1,0,0,0,0|3,0,0]=4 286 B8R1.2 NCc1ccnnc1 1P003AHQ [0,1,0,0,0,0|3,0,0]=4 287 B8R1.2 NCc1ccnnc1 1P006ZTS [0,1,0,0,0,0|3,0,0]=4 288 B8R1.2 NCc1cnccn1 1P002CZT [0,1,0,0,0,0|3,0,0]=4 289 B8R1.2 NCc1cnccn1 1P00397Q [0,1,0,0,0,0|3,0,0]=4 290 B8R1.2 NCc1cncnc1 1P002RBY [0,1,0,0,0,0|3,0,0]=4 291 B8R1.2 NCc1cncnc1 1P00ILSS [0,1,0,0,0,0|3,0,0]=4 292 B8R1.2 NCc1ncccn1 1P001ILN [0,1,0,0,0,0|3,0,0]=4 293 B8R1.2 NCc1ncccn1 1P0033KZ [0,1,0,0,0,0|3,0,0]=4 294 B8R1.2 NCc1ncccn1 1P005HA7 [0,1,0,0,0,0|3,0,0]=4 295 B8R1.2 NCc1nccnc1 1P00HE98 [0,1,0,0,0,0|3,0,0]=4 296 B8R1.2 NNc1ccccc1 1P0000NR [0,1,0,0,0,0|1,0,0]=2 297 B8R1.2 NNc1ccccc1 1P0035XW [0,1,0,0,0,0|1,0,0]=2 298 B8R1.2 NNc1ccccc1 1P003U6F [0,1,0,0,0,0|1,0,0]=2 299 B8R1.2 NNc1ccccn1 1P003HU7 [0,1,0,0,0,0|2,0,0]=3 300 B8R1.2 NNc1ccccn1 1P00DIES [0,1,0,0,0,0|2,0,0]=3 301 B8R1.2 NNc1ccccn1 1P00I9B1 [0,1,0,0,0,0|2,0,0]=3 302 B8R1.2 NNc1cccnc1 1P0037EA [0,1,0,0,0,0|2,0,0]=3 303 B8R1.2 NNc1cccnc1 1P00398X [0,1,0,0,0,0|2,0,0]=3 304 B8R1.2 NNc1cccnc1 1P003JZP [0,1,0,0,0,0|2,0,0]=3 305 B8R1.2 NNc1cccnn1 1P000E2H [0,1,0,0,0,0|3,0,0]=4 306 B8R1.2 NNc1ccncc1 1P002JZO [0,1,0,0,0,0|2,0,0]=3 307 B8R1.2 NNc1ccncc1 1P01DFTQ [0,1,0,0,0,0|2,0,0]=3 308 B8R1.2 NNc1ccncc1 1P01FD3X [0,1,0,0,0,0|2,0,0]=3 309 B8R1.2 NNc1ccncn1 1P003B7Q [0,1,0,0,0,0|3,0,0]=4 310 B8R1.2 NNc1ccncn1 1P01APGO [0,1,0,0,0,0|3,0,0]=4 311 B8R1.2 NNc1ccnnc1 1P028LF6 [0,1,0,0,0,0|3,0,0]=4 312 B8R1.2 NNc1cncnc1 1P01BA7I [0,1,0,0,0,0|3,0,0]=4 313 B8R1.2 NNc1ncccn1 1P0039KN [0,1,0,0,0,0|3,0,0]=4 314 B8R1.2 NNc1ncccn1 1P00J3ST [0,1,0,0,0,0|3,0,0]=4 315 B8R1.2 NOc1ccccc1 1P0037K5 [0,1,0,0,0,0|0,0,0]=1 316 B8R1.2 N\N=c/1\cncc[nH]1 1P00394I [0,1,0,0,0,0|3,0,0]=4 317 B8R1.2 O=Cc1ccccn1 1P0033WE [0,1,0,0,0,0|1,0,1]=3 318 B8R1.2 O=Cc1cccnc1 1P00348S [0,1,0,0,0,0|1,0,1]=3 319 B8R1.2 O=Cc1cccnn1 1P00EGBR [0,1,0,0,0,0|2,0,1]=4 320 B8R1.2 O=Cc1ccncc1 1P0034LU [0,1,0,0,0,0|1,0,1]=3 321 B8R1.2 O=Cc1ccncc1 1P003MH5 [0,1,0,0,0,0|1,0,1]=3 322 B8R1.2 O=Cc1ccncn1 1P00360K [0,1,0,0,0,0|2,0,1]=4 323 B8R1.2 O=Cc1ccnnc1 1P0037UD [0,1,0,0,0,0|2,0,1]=4 324 B8R1.2 O=Cc1cnccn1 1P003937 [0,1,0,0,0,0|2,0,1]=4 325 B8R1.2 O=Cc1cncnc1 1P00034V [0,1,0,0,0,0|2,0,1]=4 326 B8R1.2 O=Cc1ncccn1 1P003A3I [0,1,0,0,0,0|2,0,1]=4 327 B8R1.2 O=Nc1ccccc1 1P003AHD [0,1,0,0,0,0|0,0,1]=2 328 B8R1.2 O=Nc1ccccn1 1P004ZQ7 [0,1,0,0,0,0|1,0,1]=3 329 B8R1.2 O=[As]c1ccccc1 1P003U68 [0,1,0,0,0,0|0,0,1]=2 330 B8R1.2 O=[I]c1ccccc1 1P0037R0 [0,1,0,0,0,0|0,0,1]=2 331 B8R1.2 OCc1ccccc1 1P0000MS [0,1,0,0,0,0|0,0,0]=1 332 B8R1.2 OCc1ccccn1 1P003UIQ [0,1,0,0,0,0|1,0,0]=2 333 B8R1.2 OCc1cccnc1 1P0000NZ [0,1,0,0,0,0|1,0,0]=2 334 B8R1.2 OCc1cccnn1 1P0037RV [0,1,0,0,0,0|2,0,0]=3 335 B8R1.2 OCc1ccncc1 1P0034J2 [0,1,0,0,0,0|1,0,0]=2 336 B8R1.2 OCc1ccncc1 1P00IBZH [0,1,0,0,0,0|1,0,0]=2 337 B8R1.2 OCc1ccncn1 1P00BXTK [0,1,0,0,0,0|2,0,0]=3 338 B8R1.2 OCc1ccnnc1 1P00DBTI [0,1,0,0,0,0|2,0,0]=3 339 B8R1.2 OCc1cnccn1 1P0033WD [0,1,0,0,0,0|2,0,0]=3 340 B8R1.2 OCc1cncnc1 1P002RAL [0,1,0,0,0,0|2,0,0]=3 341 B8R1.2 OCc1cncnc1 1P028QCV [0,1,0,0,0,0|2,0,0]=3 342 B8R1.2 OCc1ncccn1 1P003FJF [0,1,0,0,0,0|2,0,0]=3 343 B8R1.2 ONc1ccccc1 1P0000NP [0,1,0,0,0,0|0,0,0]=1 344 B8R1.2 ONc1ccccc1 1P00G4MK [0,1,0,0,0,0|0,0,0]=1 345 B8R1.2 SCc1ccccc1 1P0000O1 [0,1,0,0,0,0|0,1,0]=2 346 B8R1.2 SCc1ccccn1 1P0029Y2 [0,1,0,0,0,0|1,1,0]=3 347 B8R1.2 SCc1cccnc1 1P0024X6 [0,1,0,0,0,0|1,1,0]=3 348 B8R1.2 SCc1ccncc1 1P0023XZ [0,1,0,0,0,0|1,1,0]=3 349 B8R1.2 [C-]#[N+]c1ccccc1 1P006IKG [0,1,0,0,0,0|1,0,0]=2 350 B8R1.2 [Mg+]Cc1ccccc1 1P005L1K [0,1,0,0,0,0|1,0,0]=2 351 B8R1.2 c1ccnnc1C#N 1P00DDD9 [0,1,0,0,0,0|3,0,0]=4 352 B8R1.2 c1nccnc1C#N 1P002BZY [0,1,0,0,0,0|3,0,0]=4 353 B8R1.3 Brc1ccc(=O)[nH]c1 1P01FT0W [0,1,0,0,0,0|1,0,1]=3 354 B8R1.3 Brc1ccc(=O)[nH]n1 1P00DD49 [0,1,0,0,0,0|2,0,1]=4 355 B8R1.3 Brc1ccc(=O)oc1 1P002CSH [0,1,0,0,0,0|1,0,1]=3 356 B8R1.3 Brc1ccc(cc1)Br 1P00333D [0,1,0,0,0,0|1,0,0]=2 357 B8R1.3 Brc1ccc(cc1)I 1P00336K [0,1,0,0,0,0|1,0,0]=2 358 B8R1.3 Brc1ccc(cn1)Br 1P0033GS [0,1,0,0,0,0|2,0,0]=3 359 B8R1.3 Brc1ccc(cn1)C 1P0033MK [0,1,0,0,0,0|2,0,0]=3 360 B8R1.3 Brc1ccc(cn1)Cl 1P003H65 [0,1,0,0,0,0|2,0,0]=3 361 B8R1.3 Brc1ccc(cn1)F 1P0033MD [0,1,0,0,0,0|2,0,0]=3 362 B8R1.3 Brc1ccc(cn1)I 1P003H6M [0,1,0,0,0,0|2,0,0]=3 363 B8R1.3 Brc1ccc(cn1)N 1P0034ND [0,1,0,0,0,0|2,0,0]=3 364 B8R1.3 Brc1ccc(cn1)O 1P0037PB [0,1,0,0,0,0|1,0,0]=2 365 B8R1.3 Brc1ccc(nn1)Br 1P0027OI [0,1,0,0,0,0|3,0,0]=4 366 B8R1.3 Brc1ccc(nn1)I 1P024XO5 [0,1,0,0,0,0|3,0,0]=4 367 B8R1.3 Brc1cnc(=O)[nH]c1 1P00522O [0,1,0,0,0,0|2,0,1]=4 368 B8R1.3 Brc1cnc(=O)[nH]c1 1P007R0E [0,1,0,0,0,0|2,0,1]=4 369 B8R1.3 Brc1cnc(=O)[nH]c1 1P028XWC [0,1,0,0,0,0|2,0,1]=4 370 B8R1.3 Brc1cnc(=S)[nH]c1 1P007KX5 [0,1,0,0,0,0|2,1,0]=4 371 B8R1.3 Brc1cnc(nc1)C 1P0034OG [0,1,0,0,0,0|3,0,0]=4 372 B8R1.3 Brc1cnc(nc1)Cl 1P0034O9 [0,1,0,0,0,0|3,0,0]=4 373 B8R1.3 Brc1cnc(nc1)F 1P00E9LT [0,1,0,0,0,0|3,0,0]=4 374 B8R1.3 Brc1cnc(nc1)I 1P002817 [0,1,0,0,0,0|3,0,0]=4 375 B8R1.3 Brc1cnc(nc1)N 1P0033KA [0,1,0,0,0,0|3,0,0]=4 376 B8R1.3 Brc1cnc(nc1)O 1P003MY0 [0,1,0,0,0,0|2,0,0]=3 377 B8R1.3 Brc1ncc(cn1)Br 1P003GDJ [0,1,0,0,0,0|3,0,0]=4 378 B8R1.3 Brc1ncc(nc1)Br 1P002N26 [0,1,0,0,0,0|3,0,0]=4 379 B8R1.3 Brc1ncc(nc1)I 1P00E9D6 [0,1,0,0,0,0|3,0,0]=4 380 B8R1.3 Cc1c[nH]c(=O)cn1 1P002JDA [0,1,0,0,0,0|2,0,1]=4 381 B8R1.3 Cc1cc[n+](cc1)C 1P001YMS [0,1,0,0,0,0|2,0,0]=3 382 B8R1.3 Cc1cc[n+](cc1)C 1P002MBZ [0,1,0,0,0,0|2,0,0]=3 383 B8R1.3 Cc1ccc(=O)[nH]c1 1P0001YV [0,1,0,0,0,0|1,0,1]=3 384 B8R1.3 Cc1ccc(=O)[nH]n1 1P0014ZS [0,1,0,0,0,0|2,0,1]=4 385 B8R1.3 Cc1ccc(=O)[nH]n1 1P003NRL [0,1,0,0,0,0|2,0,1]=4 386 B8R1.3 Cc1ccc(=O)[nH]n1 1P0068H5 [0,1,0,0,0,0|2,0,1]=4 387 B8R1.3 Cc1ccc(cc1)Br 1P0038GM [0,1,0,0,0,0|1,0,0]=2 388 B8R1.3 Cc1ccc(cc1)C 1P003608 [0,1,0,0,0,0|1,0,0]=2 389 B8R1.3 Cc1ccc(cc1)Cl 1P003LPB [0,1,0,0,0,0|1,0,0]=2 390 B8R1.3 Cc1ccc(cc1)F 1P003U4A [0,1,0,0,0,0|1,0,0]=2 391 B8R1.3 Cc1ccc(cc1)I 1P0034JN [0,1,0,0,0,0|1,0,0]=2 392 B8R1.3 Cc1ccc(cc1)I 1P007BGQ [0,1,0,0,0,0|1,0,0]=2 393 B8R1.3 Cc1ccc(cc1)N 1P003605 [0,1,0,0,0,0|1,0,0]=2 394 B8R1.3 Cc1ccc(cc1)N 1P003UHX [0,1,0,0,0,0|1,0,0]=2 395 B8R1.3 Cc1ccc(cc1)O 1P003U0X [0,1,0,0,0,0|0,0,0]=1 396 B8R1.3 Cc1ccc(cc1)S 1P003604 [0,1,0,0,0,0|0,1,0]=2 397 B8R1.3 Cc1ccc(cc1)[Mg+] 1P003UI4 [0,1,0,0,0,0|1,0,0]=2 398 B8R1.3 Cc1ccc(cn1)Br 1P0034OK [0,1,0,0,0,0|2,0,0]=3 399 B8R1.3 Cc1ccc(cn1)C 1P0033HD [0,1,0,0,0,0|2,0,0]=3 400 B8R1.3 Cc1ccc(cn1)Cl 1P003707 [0,1,0,0,0,0|2,0,0]=3 401 B8R1.3 Cc1ccc(cn1)F 1P0038JB [0,1,0,0,0,0|2,0,0]=3 402 B8R1.3 Cc1ccc(cn1)I 1P005Y11 [0,1,0,0,0,0|2,0,0]=3 403 B8R1.3 Cc1ccc(cn1)N 1P003MU7 [0,1,0,0,0,0|2,0,0]=3 404 B8R1.3 Cc1ccc(cn1)O 1P003K0R [0,1,0,0,0,0|1,0,0]=2 405 B8R1.3 Cc1ccc(cn1)[S-] 1P01FLFN [0,1,0,0,0,0|1,1,0]=3 406 B8R1.3 Cc1ccc(nn1)Br 1P00343A [0,1,0,0,0,0|3,0,0]=4 407 B8R1.3 Cc1ccc(nn1)C 1P001UBL [0,1,0,0,0,0|3,0,0]=4 408 B8R1.3 Cc1ccc(nn1)Cl 1P003JQR [0,1,0,0,0,0|3,0,0]=4 409 B8R1.3 Cc1ccc(nn1)F 1P01BY1P [0,1,0,0,0,0|3,0,0]=4 410 B8R1.3 Cc1ccc(nn1)I 1P001WDP [0,1,0,0,0,0|3,0,0]=4 411 B8R1.3 Cc1ccc(nn1)N 1P003420 [0,1,0,0,0,0|3,0,0]=4 412 B8R1.3 Cc1ccc(nn1)S 1P00EGKW [0,1,0,0,0,0|2,1,0]=4 413 B8R1.3 Cc1cnc(=S)[nH]c1 1P019VBZ [0,1,0,0,0,0|2,1,0]=4 414 B8R1.3 Cc1cnc(nc1)Br 1P001MP5 [0,1,0,0,0,0|3,0,0]=4 415 B8R1.3 Cc1cnc(nc1)Cl 1P003HFX [0,1,0,0,0,0|3,0,0]=4 416 B8R1.3 Cc1cnc(nc1)F 1P00EIC2 [0,1,0,0,0,0|3,0,0]=4 417 B8R1.3 Cc1cnc(nc1)I 1P00AR5N [0,1,0,0,0,0|3,0,0]=4 418 B8R1.3 Cc1cnc(nc1)N 1P00DC10 [0,1,0,0,0,0|3,0,0]=4 419 B8R1.3 Cc1cnc(nc1)O 1P00C7DH [0,1,0,0,0,0|2,0,0]=3 420 B8R1.3 Cc1cnc(nc1)O 1P00J31R [0,1,0,0,0,0|2,0,0]=3 421 B8R1.3 Cc1cnc(nc1)S 1P00C7RF [0,1,0,0,0,0|2,1,0]=4 422 B8R1.3 Cc1ncc(nc1)Br 1P0038ZG [0,1,0,0,0,0|3,0,0]=4 423 B8R1.3 Cc1ncc(nc1)C 1P000KCZ [0,1,0,0,0,0|3,0,0]=4 424 B8R1.3 Cc1ncc(nc1)Cl 1P0037HG [0,1,0,0,0,0|3,0,0]=4 425 B8R1.3 Cc1ncc(nc1)I 1P00GZ59 [0,1,0,0,0,0|3,0,0]=4 426 B8R1.3 Cc1ncc(nc1)N 1P003ND3 [0,1,0,0,0,0|3,0,0]=4 427 B8R1.3 Clc1c[nH]c(=O)cn1 1P003773 [0,1,0,0,0,0|2,0,1]=4 428 B8R1.3 Clc1ccc(=O)[nH]c1 1P003N3L [0,1,0,0,0,0|1,0,1]=3 429 B8R1.3 Clc1ccc(=O)[nH]n1 1P002F5J [0,1,0,0,0,0|2,0,1]=4 430 B8R1.3 Clc1ccc(=S)[nH]c1 1P003N5K [0,1,0,0,0,0|1,1,0]=3 431 B8R1.3 Clc1ccc(=S)[nH]n1 1P0038DF [0,1,0,0,0,0|2,1,0]=4 432 B8R1.3 Clc1ccc(cc1)Br 1P003LGI [0,1,0,0,0,0|1,0,0]=2 433 B8R1.3 Clc1ccc(cc1)Cl 1P00333H [0,1,0,0,0,0|1,0,0]=2 434 B8R1.3 Clc1ccc(cc1)I 1P003EOU [0,1,0,0,0,0|1,0,0]=2 435 B8R1.3 Clc1ccc(cn1)Br 1P0034O8 [0,1,0,0,0,0|2,0,0]=3 436 B8R1.3 Clc1ccc(cn1)C 1P0039DK [0,1,0,0,0,0|2,0,0]=3 437 B8R1.3 Clc1ccc(cn1)Cl 1P001SM7 [0,1,0,0,0,0|2,0,0]=3 438 B8R1.3 Clc1ccc(cn1)F 1P003HFF [0,1,0,0,0,0|2,0,0]=3 439 B8R1.3 Clc1ccc(cn1)I 1P003HFQ [0,1,0,0,0,0|2,0,0]=3 440 B8R1.3 Clc1ccc(cn1)N 1P0037RK [0,1,0,0,0,0|2,0,0]=3 441 B8R1.3 Clc1ccc(cn1)O 1P0033P0 [0,1,0,0,0,0|1,0,0]=2 442 B8R1.3 Clc1ccc(nn1)Br 1P0040G7 [0,1,0,0,0,0|3,0,0]=4 443 B8R1.3 Clc1ccc(nn1)Cl 1P001G69 [0,1,0,0,0,0|3,0,0]=4 444 B8R1.3 Clc1ccc(nn1)I 1P00344U [0,1,0,0,0,0|3,0,0]=4 445 B8R1.3 Clc1cnc(=O)[nH]c1 1P00DETG [0,1,0,0,0,0|2,0,1]=4 446 B8R1.3 Clc1cnc(nc1)Br 1P000MF4 [0,1,0,0,0,0|3,0,0]=4 447 B8R1.3 Clc1cnc(nc1)C 1P00DGG9 [0,1,0,0,0,0|3,0,0]=4 448 B8R1.3 Clc1cnc(nc1)F 1P00ELBL [0,1,0,0,0,0|3,0,0]=4 449 B8R1.3 Clc1cnc(nc1)I 1P003N3M [0,1,0,0,0,0|3,0,0]=4 450 B8R1.3 Clc1cnc(nc1)N 1P00D8IX [0,1,0,0,0,0|3,0,0]=4 451 B8R1.3 Clc1cnc(nc1)O 1P00I8PR [0,1,0,0,0,0|2,0,0]=3 452 B8R1.3 Clc1ncc(cn1)Cl 1P0033GX [0,1,0,0,0,0|3,0,0]=4 453 B8R1.3 Clc1ncc(nc1)Br 1P0037BF [0,1,0,0,0,0|3,0,0]=4 454 B8R1.3 Clc1ncc(nc1)Cl 1P002BAR [0,1,0,0,0,0|3,0,0]=4 455 B8R1.3 Clc1ncc(nc1)I 1P007XHW [0,1,0,0,0,0|3,0,0]=4 456 B8R1.3 Fc1ccc(=N)[nH]c1 1P003GXR [0,1,0,0,0,0|2,0,0]=3 457 B8R1.3 Fc1ccc(=O)[nH]n1 1P019DIV [0,1,0,0,0,0|2,0,1]=4 458 B8R1.3 Fc1ccc(cc1)Br 1P00336J [0,1,0,0,0,0|1,0,0]=2 459 B8R1.3 Fc1ccc(cc1)Cl 1P007FJJ [0,1,0,0,0,0|1,0,0]=2 460 B8R1.3 Fc1ccc(cc1)F 1P00IA3R [0,1,0,0,0,0|1,0,0]=2 461 B8R1.3 Fc1ccc(cc1)I 1P0034I3 [0,1,0,0,0,0|1,0,0]=2 462 B8R1.3 Fc1ccc(cc1)S 1P0034ID [0,1,0,0,0,0|0,1,0]=2 463 B8R1.3 Fc1ccc(cn1)Br 1P003HQQ [0,1,0,0,0,0|2,0,0]=3 464 B8R1.3 Fc1ccc(cn1)C 1P002OMU [0,1,0,0,0,0|2,0,0]=3 465 B8R1.3 Fc1ccc(cn1)Cl 1P0034PI [0,1,0,0,0,0|2,0,0]=3 466 B8R1.3 Fc1ccc(cn1)F 1P003GF6 [0,1,0,0,0,0|2,0,0]=3 467 B8R1.3 Fc1ccc(cn1)I 1P00APXU [0,1,0,0,0,0|2,0,0]=3 468 B8R1.3 Fc1ccc(cn1)N 1P0024K6 [0,1,0,0,0,0|2,0,0]=3 469 B8R1.3 Fc1ccc(cn1)O 1P0033RZ [0,1,0,0,0,0|1,0,0]=2 470 B8R1.3 Fc1ccc(nn1)Br 1P009I30 [0,1,0,0,0,0|3,0,0]=4 471 B8R1.3 Fc1ccc(nn1)Cl 1P00CJB0 [0,1,0,0,0,0|3,0,0]=4 472 B8R1.3 Fc1ccc(nn1)F 1P007HVY [0,1,0,0,0,0|3,0,0]=4 473 B8R1.3 Fc1ccc(nn1)I 1P001TMP [0,1,0,0,0,0|3,0,0]=4 474 B8R1.3 Fc1cnc(=O)[nH]c1 1P0028LS [0,1,0,0,0,0|2,0,1]=4 475 B8R1.3 Fc1cnc(nc1)Br 1P006SSP [0,1,0,0,0,0|3,0,0]=4 476 B8R1.3 Fc1cnc(nc1)C 1P00DICK [0,1,0,0,0,0|3,0,0]=4 477 B8R1.3 Fc1cnc(nc1)Cl 1P003HFH [0,1,0,0,0,0|3,0,0]=4 478 B8R1.3 Fc1cnc(nc1)I 1P01KHIN [0,1,0,0,0,0|3,0,0]=4 479 B8R1.3 Fc1cnc(nc1)N 1P001YHL [0,1,0,0,0,0|3,0,0]=4 480 B8R1.3 Fc1ncc(cn1)F 1P00ARLR [0,1,0,0,0,0|3,0,0]=4 481 B8R1.3 Fc1ncc(nc1)Br 1P0039TL [0,1,0,0,0,0|3,0,0]=4 482 B8R1.3 Fc1ncc(nc1)Cl 1P01JWK5 [0,1,0,0,0,0|3,0,0]=4 483 B8R1.3 Fc1ncc(nc1)F 1P01BA7S [0,1,0,0,0,0|3,0,0]=4 484 B8R1.3 Ic1ccc(=N)[nH]n1 1P00IG8F [0,1,0,0,0,0|3,0,0]=4 485 B8R1.3 Ic1ccc(=O)[nH]c1 1P007MAM [0,1,0,0,0,0|1,0,1]=3 486 B8R1.3 Ic1ccc(cc1)I 1P00333Q [0,1,0,0,0,0|1,0,0]=2 487 B8R1.3 Ic1ccc(cn1)Br 1P003806 [0,1,0,0,0,0|2,0,0]=3 488 B8R1.3 Ic1ccc(cn1)C 1P00BFPI [0,1,0,0,0,0|2,0,0]=3 489 B8R1.3 Ic1ccc(cn1)Cl 1P00BD18 [0,1,0,0,0,0|2,0,0]=3 490 B8R1.3 Ic1ccc(cn1)F 1P001RXK [0,1,0,0,0,0|2,0,0]=3 491 B8R1.3 Ic1ccc(cn1)I 1P000CBM [0,1,0,0,0,0|2,0,0]=3 492 B8R1.3 Ic1ccc(cn1)N 1P003MTZ [0,1,0,0,0,0|2,0,0]=3 493 B8R1.3 Ic1ccc(cn1)O 1P000Z9C [0,1,0,0,0,0|1,0,0]=2 494 B8R1.3 Ic1ccc(nn1)I 1P002J85 [0,1,0,0,0,0|3,0,0]=4 495 B8R1.3 Ic1cnc(=O)[nH]c1 1P003HVH [0,1,0,0,0,0|2,0,1]=4 496 B8R1.3 Ic1cnc(nc1)Br 1P00IGOI [0,1,0,0,0,0|3,0,0]=4 497 B8R1.3 Ic1cnc(nc1)C 1P020M10 [0,1,0,0,0,0|3,0,0]=4 498 B8R1.3 Ic1cnc(nc1)Cl 1P0033P2 [0,1,0,0,0,0|3,0,0]=4 499 B8R1.3 Ic1cnc(nc1)F 1P005IU9 [0,1,0,0,0,0|3,0,0]=4 500 B8R1.3 Ic1cnc(nc1)N 1P001K46 [0,1,0,0,0,0|3,0,0]=4 501 B8R1.3 Nc1ccc(=O)[nH]n1 1P003NJN [0,1,0,0,0,0|2,0,1]=4 502 B8R1.3 Nc1ccc(cc1)Br 1P0039G2 [0,1,0,0,0,0|1,0,0]=2 503 B8R1.3 Nc1ccc(cc1)Br 1P00ED8O [0,1,0,0,0,0|1,0,0]=2 504 B8R1.3 Nc1ccc(cc1)Cl 1P0034GG [0,1,0,0,0,0|1,0,0]=2 505 B8R1.3 Nc1ccc(cc1)Cl 1P00I49K [0,1,0,0,0,0|1,0,0]=2 506 B8R1.3 Nc1ccc(cc1)F 1P0038F1 [0,1,0,0,0,0|1,0,0]=2 507 B8R1.3 Nc1ccc(cc1)F 1P00BG1J [0,1,0,0,0,0|1,0,0]=2 508 B8R1.3 Nc1ccc(cc1)I 1P0034JH [0,1,0,0,0,0|1,0,0]=2 509 B8R1.3 Nc1ccc(cc1)N 1P001TMX [0,1,0,0,0,0|1,0,0]=2 510 B8R1.3 Nc1ccc(cc1)N 1P003336 [0,1,0,0,0,0|1,0,0]=2 511 B8R1.3 Nc1ccc(cc1)N 1P003E4B [0,1,0,0,0,0|1,0,0]=2 512 B8R1.3 Nc1ccc(cc1)N 1P01DHV3 [0,1,0,0,0,0|1,0,0]=2 513 B8R1.3 Nc1ccc(cc1)O 1P0034DF [0,1,0,0,0,0|0,0,0]=1 514 B8R1.3 Nc1ccc(cc1)O 1P00IBM3 [0,1,0,0,0,0|0,0,0]=1 515 B8R1.3 Nc1ccc(cc1)S 1P000PND [0,1,0,0,0,0|0,1,0]=2 516 B8R1.3 Nc1ccc(cn1)Br 1P0033K9 [0,1,0,0,0,0|2,0,0]=3 517 B8R1.3 Nc1ccc(cn1)C 1P003GY3 [0,1,0,0,0,0|2,0,0]=3 518 B8R1.3 Nc1ccc(cn1)Cl 1P0033KG [0,1,0,0,0,0|2,0,0]=3 519 B8R1.3 Nc1ccc(cn1)I 1P002ACG [0,1,0,0,0,0|2,0,0]=3 520 B8R1.3 Nc1ccc(cn1)N 1P003UJ0 [0,1,0,0,0,0|2,0,0]=3 521 B8R1.3 Nc1ccc(cn1)N 1P00BC5O [0,1,0,0,0,0|2,0,0]=3 522 B8R1.3 Nc1ccc(cn1)O 1P0034SD [0,1,0,0,0,0|1,0,0]=2 523 B8R1.3 Nc1ccc(cn1)O 1P0036WS [0,1,0,0,0,0|1,0,0]=2 524 B8R1.3 Nc1ccc(cn1)O 1P01KZDN [0,1,0,0,0,0|1,0,0]=2 525 B8R1.3 Nc1ccc(nn1)Br 1P0036R6 [0,1,0,0,0,0|3,0,0]=4 526 B8R1.3 Nc1ccc(nn1)Cl 1P003NNM [0,1,0,0,0,0|3,0,0]=4 527 B8R1.3 Nc1ccc(nn1)F 1P007CER [0,1,0,0,0,0|3,0,0]=4 528 B8R1.3 Nc1ccc(nn1)I 1P002H2L [0,1,0,0,0,0|3,0,0]=4 529 B8R1.3 Nc1ccc(nn1)N 1P00EGBP [0,1,0,0,0,0|3,0,0]=4 530 B8R1.3 Nc1ccc(nn1)O 1P01ADKG [0,1,0,0,0,0|2,0,0]=3 531 B8R1.3 Nc1cnc(nc1)Br 1P00ED1R [0,1,0,0,0,0|3,0,0]=4 532 B8R1.3 Nc1cnc(nc1)C 1P003MU8 [0,1,0,0,0,0|3,0,0]=4 533 B8R1.3 Nc1cnc(nc1)Cl 1P0034NG [0,1,0,0,0,0|3,0,0]=4 534 B8R1.3 Nc1cnc(nc1)F 1P00E9OS [0,1,0,0,0,0|3,0,0]=4 535 B8R1.3 Nc1cnc(nc1)I 1P01JPJ7 [0,1,0,0,0,0|3,0,0]=4 536 B8R1.3 Nc1ncc(cn1)N 1P007OGK [0,1,0,0,0,0|3,0,0]=4 537 B8R1.3 Nc1ncc(nc1)Br 1P003GXE [0,1,0,0,0,0|3,0,0]=4 538 B8R1.3 Nc1ncc(nc1)Cl 1P0033KF [0,1,0,0,0,0|3,0,0]=4 539 B8R1.3 Nc1ncc(nc1)F 1P0281L5 [0,1,0,0,0,0|3,0,0]=4 540 B8R1.3 Nc1ncc(nc1)I 1P0036QW [0,1,0,0,0,0|3,0,0]=4 541 B8R1.3 Nc1ncc(nc1)N 1P001REY [0,1,0,0,0,0|3,0,0]=4 542 B8R1.3 Nc1ncc(nc1)N 1P005I0L [0,1,0,0,0,0|3,0,0]=4 543 B8R1.3 O=C1C=CC(=O)C=C1 1P009L3D [0,1,0,0,0,0|0,0,1]=2 544 B8R1.3 O=C1COC(C=C1)O 1P007CTC [0,1,0,0,0,0|1,0,2]=4 545 B8R1.3 O=c1ccc(=O)[nH][nH]1 1P00035V [0,1,0,0,0,0|2,0,1]=4 546 B8R1.3 Oc1ccc(=O)[nH]c1 1P00DEMJ [0,1,0,0,0,0|1,0,0]=2 547 B8R1.3 Oc1ccc(cc1)Br 1P0038P9 [0,1,0,0,0,0|0,0,0]=1 548 B8R1.3 Oc1ccc(cc1)Cl 1P000PNE [0,1,0,0,0,0|0,0,0]=1 549 B8R1.3 Oc1ccc(cc1)Cl 1P0034GW [0,1,0,0,0,0|0,0,0]=1 550 B8R1.3 Oc1ccc(cc1)F 1P0034I5 [0,1,0,0,0,0|0,0,0]=1 551 B8R1.3 Oc1ccc(cc1)I 1P00DZGL [0,1,0,0,0,0|0,0,0]=1 552 B8R1.3 Oc1ccc(cc1)O 1P003RFM [0,1,0,0,0,0|0,0,0]=1 553 B8R1.3 Oc1ccc(cc1)O 1P0084A5 [0,1,0,0,0,0|0,0,0]=1 554 B8R1.3 Oc1ccc(cc1)S 1P003M2L [0,1,0,0,0,0|0,0,0]=1 555 B8R1.3 Oc1ccc(cc1)[NH3+] 1P00ILXP [0,1,0,0,0,0|0,0,0]=1 556 B8R1.3 Oc1ccc(cn1)Br 1P0033T3 [0,1,0,0,0,0|1,0,0]=2 557 B8R1.3 Oc1ccc(cn1)C 1P0068BS [0,1,0,0,0,0|1,0,0]=2 558 B8R1.3 Oc1ccc(cn1)F 1P00I9MG [0,1,0,0,0,0|1,0,0]=2 559 B8R1.3 Oc1ccc(cn1)I 1P01FVCZ [0,1,0,0,0,0|1,0,0]=2 560 B8R1.3 Oc1ccc(cn1)N 1P0077NO [0,1,0,0,0,0|1,0,0]=2 561 B8R1.3 Oc1ccc(cn1)N 1P00I734 [0,1,0,0,0,0|1,0,0]=2 562 B8R1.3 Oc1cnc(nc1)Br 1P000LZC [0,1,0,0,0,0|2,0,0]=3 563 B8R1.3 Oc1cnc(nc1)C 1P003N92 [0,1,0,0,0,0|2,0,0]=3 564 B8R1.3 Oc1cnc(nc1)Cl 1P0033P1 [0,1,0,0,0,0|2,0,0]=3 565 B8R1.3 Oc1cnc(nc1)N 1P007ZBH [0,1,0,0,0,0|2,0,0]=3 566 B8R1.3 Oc1ncc(nc1)Br 1P003H6I [0,1,0,0,0,0|2,0,0]=3 567 B8R1.3 Oc1ncc(nc1)I 1P01B93S [0,1,0,0,0,0|2,0,0]=3 568 B8R1.3 Sc1ccc(cc1)Br 1P0034FI [0,1,0,0,0,0|0,1,0]=2 569 B8R1.3 Sc1ccc(cc1)Cl 1P0034H5 [0,1,0,0,0,0|0,1,0]=2 570 B8R1.3 Sc1ccc(cc1)I 1P00DME4 [0,1,0,0,0,0|0,1,0]=2 571 B8R1.3 Sc1ccc(cc1)S 1P003E30 [0,1,0,0,0,0|0,1,0]=2 572 B8R1.3 Sc1ccc(cn1)Br 1P00EGLR [0,1,0,0,0,0|1,1,0]=3 573 B8R1.3 Sc1ccc(cn1)C 1P007TI4 [0,1,0,0,0,0|1,1,0]=3 574 B8R1.3 Sc1ccc(cn1)F 1P01X1P9 [0,1,0,0,0,0|1,1,0]=3 575 B8R1.3 [O-][n+]1cc[n+](cc1)[O-] 1P007OFF [0,1,0,0,0,0|2,0,1]=4 576 B8R1.3 [O-][n+]1ccc(cc1)Br 1P0038KR [0,1,0,0,0,0|1,0,1]=3 577 B8R1.3 [O-][n+]1ccc(cc1)C 1P0001YW [0,1,0,0,0,0|1,0,1]=3 578 B8R1.3 [O-][n+]1ccc(cc1)Cl 1P003LP0 [0,1,0,0,0,0|1,0,1]=3 579 B8R1.3 [O-][n+]1ccc(cc1)F 1P000N1Q [0,1,0,0,0,0|1,0,1]=3 580 B8R1.3 [O-][n+]1ccc(cc1)N 1P01BIVP [0,1,0,0,0,0|1,0,1]=3 581 B8R1.3 [O-][n+]1ccc(cc1)O 1P006GBX [0,1,0,0,0,0|1,0,0]=2 582 B8R1.3 [S-]c1ccc(cc1)C 1P003M7Y [0,1,0,0,0,0|0,1,0]=2 583 B8R1.4 Brc1cc[nH]c(=O)n1 1P00DL8O [0,1,0,0,0,0|2,0,1]=4 584 B8R1.4 Brc1cccc(c1)Br 1P0038GG [0,1,0,0,0,0|1,0,0]=2 585 B8R1.4 Brc1cccc(c1)I 1P00336D [0,1,0,0,0,0|1,0,0]=2 586 B8R1.4 Brc1cccc(n1)Br 1P0033HP [0,1,0,0,0,0|2,0,0]=3 587 B8R1.4 Brc1cccc(n1)I 1P002NMA [0,1,0,0,0,0|2,0,0]=3 588 B8R1.4 Brc1ccnc(c1)Br 1P00IAV6 [0,1,0,0,0,0|2,0,0]=3 589 B8R1.4 Brc1ccnc(c1)C 1P003LDY [0,1,0,0,0,0|2,0,0]=3 590 B8R1.4 Brc1ccnc(c1)C 1P00J1W2 [0,1,0,0,0,0|2,0,0]=3 591 B8R1.4 Brc1ccnc(c1)Cl 1P0034DY [0,1,0,0,0,0|2,0,0]=3 592 B8R1.4 Brc1ccnc(c1)F 1P000Y6T [0,1,0,0,0,0|2,0,0]=3 593 B8R1.4 Brc1ccnc(c1)I 1P0002PZ [0,1,0,0,0,0|2,0,0]=3 594 B8R1.4 Brc1ccnc(c1)N 1P0033JW [0,1,0,0,0,0|2,0,0]=3 595 B8R1.4 Brc1ccnc(c1)O 1P0034E6 [0,1,0,0,0,0|1,0,0]=2 596 B8R1.4 Brc1ccnc(n1)Br 1P00BYDM [0,1,0,0,0,0|3,0,0]=4 597 B8R1.4 Brc1ccnc(n1)C 1P007TD4 [0,1,0,0,0,0|3,0,0]=4 598 B8R1.4 Brc1ccnc(n1)Cl 1P0038U8 [0,1,0,0,0,0|3,0,0]=4 599 B8R1.4 Brc1ccnc(n1)F 1P009MBT [0,1,0,0,0,0|3,0,0]=4 600 B8R1.4 Brc1ccnc(n1)N 1P00C7KA [0,1,0,0,0,0|3,0,0]=4 601 B8R1.4 Brc1ccoc(=O)c1 1P003HU4 [0,1,0,0,0,0|1,0,1]=3 602 B8R1.4 Brc1cncc(c1)Br 1P0033ZU [0,1,0,0,0,0|2,0,0]=3 603 B8R1.4 Brc1cncc(c1)I 1P002NGQ [0,1,0,0,0,0|2,0,0]=3 604 B8R1.4 Brc1cncc(n1)Br 1P002N27 [0,1,0,0,0,0|3,0,0]=4 605 B8R1.4 Brc1cnnc(c1)Br 1P000PSJ [0,1,0,0,0,0|3,0,0]=4 606 B8R1.4 Brc1cnnc(c1)C 1P028F5O [0,1,0,0,0,0|3,0,0]=4 607 B8R1.4 Brc1cnnc(c1)Cl 1P000PSK [0,1,0,0,0,0|3,0,0]=4 608 B8R1.4 Brc1cnnc(c1)N 1P008ZIS [0,1,0,0,0,0|3,0,0]=4 609 B8R1.4 Brc1ncnc(c1)Br 1P0034C0 [0,1,0,0,0,0|3,0,0]=4 610 B8R1.4 C[n+]1cccc(c1)Br 1P00C80C [0,1,0,0,0,0|2,0,0]=3 611 B8R1.4 C[n+]1cccc(c1)Cl 1P01EWVP [0,1,0,0,0,0|2,0,0]=3 612 B8R1.4 C[n+]1cccc(c1)I 1P01FCKC [0,1,0,0,0,0|2,0,0]=3 613 B8R1.4 C[n+]1cccc(c1)N 1P01EXSA [0,1,0,0,0,0|2,0,0]=3 614 B8R1.4 C[n+]1ccnc(c1)Cl 1P01EW2I [0,1,0,0,0,0|3,0,0]=4 615 B8R1.4 Cc1cc(=O)[nH]nc1 1P003NC4 [0,1,0,0,0,0|2,0,1]=4 616 B8R1.4 Cc1cc[nH]c(=S)n1 1P003HYQ [0,1,0,0,0,0|2,1,0]=4 617 B8R1.4 Cc1cccc(=O)[nH]1 1P00I6PQ [0,1,0,0,0,0|1,0,1]=3 618 B8R1.4 Cc1cccc(=O)[nH]1 1P01A5YK [0,1,0,0,0,0|1,0,1]=3 619 B8R1.4 Cc1cccc(c1)Br 1P003JM4 [0,1,0,0,0,0|1,0,0]=2 620 B8R1.4 Cc1cccc(c1)C 1P0035QQ [0,1,0,0,0,0|1,0,0]=2 621 B8R1.4 Cc1cccc(c1)Cl 1P00345C [0,1,0,0,0,0|1,0,0]=2 622 B8R1.4 Cc1cccc(c1)F 1P00I7FR [0,1,0,0,0,0|1,0,0]=2 623 B8R1.4 Cc1cccc(c1)I 1P003K2K [0,1,0,0,0,0|1,0,0]=2 624 B8R1.4 Cc1cccc(c1)N 1P00348Z [0,1,0,0,0,0|1,0,0]=2 625 B8R1.4 Cc1cccc(c1)N 1P003SN3 [0,1,0,0,0,0|1,0,0]=2 626 B8R1.4 Cc1cccc(c1)O 1P003RX9 [0,1,0,0,0,0|0,0,0]=1 627 B8R1.4 Cc1cccc(c1)S 1P003K79 [0,1,0,0,0,0|0,1,0]=2 628 B8R1.4 Cc1cccc(n1)Br 1P003H7Q [0,1,0,0,0,0|2,0,0]=3 629 B8R1.4 Cc1cccc(n1)C 1P0033IS [0,1,0,0,0,0|2,0,0]=3 630 B8R1.4 Cc1cccc(n1)Cl 1P003HHO [0,1,0,0,0,0|2,0,0]=3 631 B8R1.4 Cc1cccc(n1)F 1P003HRV [0,1,0,0,0,0|2,0,0]=3 632 B8R1.4 Cc1cccc(n1)I 1P00EAYX [0,1,0,0,0,0|2,0,0]=3 633 B8R1.4 Cc1cccc(n1)N 1P0024B7 [0,1,0,0,0,0|2,0,0]=3 634 B8R1.4 Cc1cccc(n1)S 1P003HYW [0,1,0,0,0,0|1,1,0]=3 635 B8R1.4 Cc1ccnc(=O)[nH]1 1P0033T2 [0,1,0,0,0,0|2,0,1]=4 636 B8R1.4 Cc1ccnc(c1)Br 1P003H5D [0,1,0,0,0,0|2,0,0]=3 637 B8R1.4 Cc1ccnc(c1)C 1P0039FY [0,1,0,0,0,0|2,0,0]=3 638 B8R1.4 Cc1ccnc(c1)Cl 1P003HEL [0,1,0,0,0,0|2,0,0]=3 639 B8R1.4 Cc1ccnc(c1)F 1P003HQB [0,1,0,0,0,0|2,0,0]=3 640 B8R1.4 Cc1ccnc(c1)I 1P00BG0M [0,1,0,0,0,0|2,0,0]=3 641 B8R1.4 Cc1ccnc(c1)N 1P003GW8 [0,1,0,0,0,0|2,0,0]=3 642 B8R1.4 Cc1ccnc(c1)O 1P003HVA [0,1,0,0,0,0|1,0,0]=2 643 B8R1.4 Cc1ccnc(c1)S 1P0076M3 [0,1,0,0,0,0|1,1,0]=3 644 B8R1.4 Cc1ccnc(n1)Br 1P000V75 [0,1,0,0,0,0|3,0,0]=4 645 B8R1.4 Cc1ccnc(n1)C 1P009I3B [0,1,0,0,0,0|3,0,0]=4 646 B8R1.4 Cc1ccnc(n1)Cl 1P000URR [0,1,0,0,0,0|3,0,0]=4 647 B8R1.4 Cc1ccnc(n1)I 1P000P6W [0,1,0,0,0,0|3,0,0]=4 648 B8R1.4 Cc1ccnc(n1)N 1P003GW9 [0,1,0,0,0,0|3,0,0]=4 649 B8R1.4 Cc1ccnc(n1)O 1P006UK2 [0,1,0,0,0,0|2,0,0]=3 650 B8R1.4 Cc1ccnc(n1)S 1P00CI6Y [0,1,0,0,0,0|2,1,0]=4 651 B8R1.4 Cc1cncc(=O)[nH]1 1P002JD9 [0,1,0,0,0,0|2,0,1]=4 652 B8R1.4 Cc1cncc(c1)Br 1P00I78L [0,1,0,0,0,0|2,0,0]=3 653 B8R1.4 Cc1cncc(c1)C 1P00IAZ1 [0,1,0,0,0,0|2,0,0]=3 654 B8R1.4 Cc1cncc(c1)Cl 1P002GA6 [0,1,0,0,0,0|2,0,0]=3 655 B8R1.4 Cc1cncc(c1)F 1P003JXJ [0,1,0,0,0,0|2,0,0]=3 656 B8R1.4 Cc1cncc(c1)I 1P00AKYW [0,1,0,0,0,0|2,0,0]=3 657 B8R1.4 Cc1cncc(c1)N 1P00BYXN [0,1,0,0,0,0|2,0,0]=3 658 B8R1.4 Cc1cncc(c1)N 1P00H8HS [0,1,0,0,0,0|2,0,0]=3 659 B8R1.4 Cc1cncc(c1)O 1P00346N [0,1,0,0,0,0|1,0,0]=2 660 B8R1.4 Cc1cncc(n1)Br 1P00GSY8 [0,1,0,0,0,0|3,0,0]=4 661 B8R1.4 Cc1cncc(n1)C 1P003GMF [0,1,0,0,0,0|3,0,0]=4 662 B8R1.4 Cc1cncc(n1)Cl 1P003HHN [0,1,0,0,0,0|3,0,0]=4 663 B8R1.4 Cc1cncc(n1)F 1P0286PL [0,1,0,0,0,0|3,0,0]=4 664 B8R1.4 Cc1cncc(n1)N 1P003GZE [0,1,0,0,0,0|3,0,0]=4 665 B8R1.4 Cc1cnnc(c1)Cl 1P00414T [0,1,0,0,0,0|3,0,0]=4 666 B8R1.4 Cc1cnnc(c1)I 1P01DZB7 [0,1,0,0,0,0|3,0,0]=4 667 B8R1.4 Cc1cnnc(c1)N 1P001JQC [0,1,0,0,0,0|3,0,0]=4 668 B8R1.4 Cc1nc[nH]c(=O)c1 1P00BXVE [0,1,0,0,0,0|2,0,1]=4 669 B8R1.4 Cc1nc[nH]c(=O)c1 1P027YSW [0,1,0,0,0,0|2,0,1]=4 670 B8R1.4 Cc1nc[nH]c(=S)c1 1P00DYAU [0,1,0,0,0,0|2,1,0]=4 671 B8R1.4 Cc1nccc(=N)[nH]1 1P00GATC [0,1,0,0,0,0|3,0,0]=4 672 B8R1.4 Cc1nccc(=O)[nH]1 1P002C6Y [0,1,0,0,0,0|2,0,1]=4 673 B8R1.4 Cc1ncnc(c1)Br 1P00375E [0,1,0,0,0,0|3,0,0]=4 674 B8R1.4 Cc1ncnc(c1)C 1P001OOH [0,1,0,0,0,0|3,0,0]=4 675 B8R1.4 Cc1ncnc(c1)Cl 1P0034KF [0,1,0,0,0,0|3,0,0]=4 676 B8R1.4 Cc1ncnc(c1)I 1P01ALSV [0,1,0,0,0,0|3,0,0]=4 677 B8R1.4 Cc1ncnc(c1)N 1P00I78P [0,1,0,0,0,0|3,0,0]=4 678 B8R1.4 Cc1ncnc(c1)O 1P001PCL [0,1,0,0,0,0|2,0,0]=3 679 B8R1.4 Clc1cc(=O)[nH]nc1 1P003N5G [0,1,0,0,0,0|2,0,1]=4 680 B8R1.4 Clc1cc[nH]c(=O)n1 1P00G8FV [0,1,0,0,0,0|2,0,1]=4 681 B8R1.4 Clc1cccc(=O)[nH]1 1P001YRQ [0,1,0,0,0,0|1,0,1]=3 682 B8R1.4 Clc1cccc(c1)Br 1P00343G [0,1,0,0,0,0|1,0,0]=2 683 B8R1.4 Clc1cccc(c1)Cl 1P00332A [0,1,0,0,0,0|1,0,0]=2 684 B8R1.4 Clc1cccc(c1)I 1P0032P0 [0,1,0,0,0,0|1,0,0]=2 685 B8R1.4 Clc1cccc(n1)Br 1P00D8GQ [0,1,0,0,0,0|2,0,0]=3 686 B8R1.4 Clc1cccc(n1)Cl 1P0033I1 [0,1,0,0,0,0|2,0,0]=3 687 B8R1.4 Clc1cccc(n1)I 1P0037YD [0,1,0,0,0,0|2,0,0]=3 688 B8R1.4 Clc1ccnc(c1)Br 1P002LYR [0,1,0,0,0,0|2,0,0]=3 689 B8R1.4 Clc1ccnc(c1)C 1P003LKU [0,1,0,0,0,0|2,0,0]=3 690 B8R1.4 Clc1ccnc(c1)Cl 1P002TQX [0,1,0,0,0,0|2,0,0]=3 691 B8R1.4 Clc1ccnc(c1)F 1P00BZZP [0,1,0,0,0,0|2,0,0]=3 692 B8R1.4 Clc1ccnc(c1)I 1P002LYQ [0,1,0,0,0,0|2,0,0]=3 693 B8R1.4 Clc1ccnc(c1)N 1P002BO7 [0,1,0,0,0,0|2,0,0]=3 694 B8R1.4 Clc1ccnc(c1)O 1P00397T [0,1,0,0,0,0|1,0,0]=2 695 B8R1.4 Clc1ccnc(n1)Br 1P0036RF [0,1,0,0,0,0|3,0,0]=4 696 B8R1.4 Clc1ccnc(n1)C 1P00D9MU [0,1,0,0,0,0|3,0,0]=4 697 B8R1.4 Clc1ccnc(n1)Cl 1P0033FY [0,1,0,0,0,0|3,0,0]=4 698 B8R1.4 Clc1ccnc(n1)F 1P00E2DY [0,1,0,0,0,0|3,0,0]=4 699 B8R1.4 Clc1ccnc(n1)I 1P01FHUV [0,1,0,0,0,0|3,0,0]=4 700 B8R1.4 Clc1ccnc(n1)N 1P00I8AQ [0,1,0,0,0,0|3,0,0]=4 701 B8R1.4 Clc1ccoc(=O)c1 1P01ALG0 [0,1,0,0,0,0|1,0,1]=3 702 B8R1.4 Clc1cncc(=O)[nH]1 1P003HHB [0,1,0,0,0,0|2,0,1]=4 703 B8R1.4 Clc1cncc(c1)Br 1P003433 [0,1,0,0,0,0|2,0,0]=3 704 B8R1.4 Clc1cncc(c1)Cl 1P002P2J [0,1,0,0,0,0|2,0,0]=3 705 B8R1.4 Clc1cncc(c1)I 1P003JQ7 [0,1,0,0,0,0|2,0,0]=3 706 B8R1.4 Clc1cncc(n1)Br 1P006EX9 [0,1,0,0,0,0|3,0,0]=4 707 B8R1.4 Clc1cncc(n1)Cl 1P0033I0 [0,1,0,0,0,0|3,0,0]=4 708 B8R1.4 Clc1cncc(n1)I 1P01DU8C [0,1,0,0,0,0|3,0,0]=4 709 B8R1.4 Clc1cnnc(c1)Br 1P01UQHM [0,1,0,0,0,0|3,0,0]=4 710 B8R1.4 Clc1cnnc(c1)C 1P01PAXQ [0,1,0,0,0,0|3,0,0]=4 711 B8R1.4 Clc1cnnc(c1)Cl 1P0033ZZ [0,1,0,0,0,0|3,0,0]=4 712 B8R1.4 Clc1cnnc(c1)N 1P000WT2 [0,1,0,0,0,0|3,0,0]=4 713 B8R1.4 Clc1nccc(=O)[nH]1 1P003A7W [0,1,0,0,0,0|2,0,1]=4 714 B8R1.4 Clc1ncnc(c1)Cl 1P000IZZ [0,1,0,0,0,0|3,0,0]=4 715 B8R1.4 Clc1ncnc(c1)I 1P00C1IX [0,1,0,0,0,0|3,0,0]=4 716 B8R1.4 Fc1cc(=O)[nH]nc1 1P01B7XD [0,1,0,0,0,0|2,0,1]=4 717 B8R1.4 Fc1cc[nH]c(=O)c1 1P005UC3 [0,1,0,0,0,0|1,0,1]=3 718 B8R1.4 Fc1cccc(c1)Br 1P00336C [0,1,0,0,0,0|1,0,0]=2 719 B8R1.4 Fc1cccc(c1)Cl 1P00IKX6 [0,1,0,0,0,0|1,0,0]=2 720 B8R1.4 Fc1cccc(c1)F 1P00I7T0 [0,1,0,0,0,0|1,0,0]=2 721 B8R1.4 Fc1cccc(c1)I 1P003384 [0,1,0,0,0,0|1,0,0]=2 722 B8R1.4 Fc1cccc(c1)S 1P003467 [0,1,0,0,0,0|0,1,0]=2 723 B8R1.4 Fc1cccc(n1)Br 1P001JEO [0,1,0,0,0,0|2,0,0]=3 724 B8R1.4 Fc1cccc(n1)Cl 1P002KDX [0,1,0,0,0,0|2,0,0]=3 725 B8R1.4 Fc1cccc(n1)F 1P001NQB [0,1,0,0,0,0|2,0,0]=3 726 B8R1.4 Fc1ccnc(c1)Br 1P0033M2 [0,1,0,0,0,0|2,0,0]=3 727 B8R1.4 Fc1ccnc(c1)C 1P0038X5 [0,1,0,0,0,0|2,0,0]=3 728 B8R1.4 Fc1ccnc(c1)Cl 1P003HDV [0,1,0,0,0,0|2,0,0]=3 729 B8R1.4 Fc1ccnc(c1)F 1P00BXW3 [0,1,0,0,0,0|2,0,0]=3 730 B8R1.4 Fc1ccnc(c1)I 1P01XDP3 [0,1,0,0,0,0|2,0,0]=3 731 B8R1.4 Fc1ccnc(c1)N 1P003GVZ [0,1,0,0,0,0|2,0,0]=3 732 B8R1.4 Fc1ccnc(c1)N 1P01B5I0 [0,1,0,0,0,0|2,0,0]=3 733 B8R1.4 Fc1ccnc(n1)Br 1P0097AB [0,1,0,0,0,0|3,0,0]=4 734 B8R1.4 Fc1ccnc(n1)Cl 1P00CJAP [0,1,0,0,0,0|3,0,0]=4 735 B8R1.4 Fc1ccnc(n1)F 1P00BDNZ [0,1,0,0,0,0|3,0,0]=4 736 B8R1.4 Fc1ccnc(n1)N 1P00IKAG [0,1,0,0,0,0|3,0,0]=4 737 B8R1.4 Fc1cncc(c1)Br 1P0032QZ [0,1,0,0,0,0|2,0,0]=3 738 B8R1.4 Fc1cncc(c1)Cl 1P006W8W [0,1,0,0,0,0|2,0,0]=3 739 B8R1.4 Fc1cncc(c1)F 1P003J3V [0,1,0,0,0,0|2,0,0]=3 740 B8R1.4 Fc1cncc(c1)I 1P00374U [0,1,0,0,0,0|2,0,0]=3 741 B8R1.4 Fc1cncc(n1)Br 1P0093B4 [0,1,0,0,0,0|3,0,0]=4 742 B8R1.4 Fc1cncc(n1)F 1P00CUWH [0,1,0,0,0,0|3,0,0]=4 743 B8R1.4 Fc1cnnc(c1)Cl 1P028QZF [0,1,0,0,0,0|3,0,0]=4 744 B8R1.4 Fc1cnnc(c1)F 1P028518 [0,1,0,0,0,0|3,0,0]=4 745 B8R1.4 Fc1ncnc(c1)Br 1P023PKL [0,1,0,0,0,0|3,0,0]=4 746 B8R1.4 Fc1ncnc(c1)Cl 1P00DGM1 [0,1,0,0,0,0|3,0,0]=4 747 B8R1.4 Fc1ncnc(c1)F 1P00C1LC [0,1,0,0,0,0|3,0,0]=4 748 B8R1.4 Ic1cc(=O)[nH]nc1 1P0038VR [0,1,0,0,0,0|2,0,1]=4 749 B8R1.4 Ic1cc[nH]c(=O)c1 1P004XC8 [0,1,0,0,0,0|1,0,1]=3 750 B8R1.4 Ic1cccc(c1)I 1P00332E [0,1,0,0,0,0|1,0,0]=2 751 B8R1.4 Ic1cccc(n1)I 1P00DA07 [0,1,0,0,0,0|2,0,0]=3 752 B8R1.4 Ic1ccnc(c1)Br 1P0002PW [0,1,0,0,0,0|2,0,0]=3 753 B8R1.4 Ic1ccnc(c1)C 1P007PF1 [0,1,0,0,0,0|2,0,0]=3 754 B8R1.4 Ic1ccnc(c1)Cl 1P0033ON [0,1,0,0,0,0|2,0,0]=3 755 B8R1.4 Ic1ccnc(c1)F 1P0033RQ [0,1,0,0,0,0|2,0,0]=3 756 B8R1.4 Ic1ccnc(c1)I 1P0056X9 [0,1,0,0,0,0|2,0,0]=3 757 B8R1.4 Ic1ccnc(c1)N 1P00DGDV [0,1,0,0,0,0|2,0,0]=3 758 B8R1.4 Ic1ccnc(n1)Br 1P00HAJK [0,1,0,0,0,0|3,0,0]=4 759 B8R1.4 Ic1ccnc(n1)C 1P00IDV7 [0,1,0,0,0,0|3,0,0]=4 760 B8R1.4 Ic1ccnc(n1)Cl 1P00I88J [0,1,0,0,0,0|3,0,0]=4 761 B8R1.4 Ic1ccnc(n1)F 1P01DZGE [0,1,0,0,0,0|3,0,0]=4 762 B8R1.4 Ic1ccnc(n1)I 1P002SUH [0,1,0,0,0,0|3,0,0]=4 763 B8R1.4 Ic1ccnc(n1)N 1P005234 [0,1,0,0,0,0|3,0,0]=4 764 B8R1.4 Ic1cncc(c1)I 1P00DGOK [0,1,0,0,0,0|2,0,0]=3 765 B8R1.4 Ic1cncc(n1)I 1P00EA5L [0,1,0,0,0,0|3,0,0]=4 766 B8R1.4 Ic1cnnc(c1)I 1P01RZ34 [0,1,0,0,0,0|3,0,0]=4 767 B8R1.4 Ic1ncnc(c1)I 1P00AQN3 [0,1,0,0,0,0|3,0,0]=4 768 B8R1.4 N=c1cc[nH]c(=N)[nH]1 1P00HYTN [0,1,0,0,0,0|3,0,0]=4 769 B8R1.4 Nc1cc(=O)[nH]nc1 1P00436N [0,1,0,0,0,0|2,0,1]=4 770 B8R1.4 Nc1cc[nH]c(=O)c1 1P00I85D [0,1,0,0,0,0|1,0,1]=3 771 B8R1.4 Nc1cccc(=O)[nH]1 1P003GZ7 [0,1,0,0,0,0|1,0,1]=3 772 B8R1.4 Nc1cccc(c1)Br 1P0037HY [0,1,0,0,0,0|1,0,0]=2 773 B8R1.4 Nc1cccc(c1)Cl 1P00344V [0,1,0,0,0,0|1,0,0]=2 774 B8R1.4 Nc1cccc(c1)Cl 1P003JQY [0,1,0,0,0,0|1,0,0]=2 775 B8R1.4 Nc1cccc(c1)F 1P0037S5 [0,1,0,0,0,0|1,0,0]=2 776 B8R1.4 Nc1cccc(c1)I 1P003474 [0,1,0,0,0,0|1,0,0]=2 777 B8R1.4 Nc1cccc(c1)N 1P003DZB [0,1,0,0,0,0|1,0,0]=2 778 B8R1.4 Nc1cccc(c1)N 1P003SN0 [0,1,0,0,0,0|1,0,0]=2 779 B8R1.4 Nc1cccc(c1)N 1P00IN03 [0,1,0,0,0,0|1,0,0]=2 780 B8R1.4 Nc1cccc(c1)O 1P003JEJ [0,1,0,0,0,0|0,0,0]=1 781 B8R1.4 Nc1cccc(c1)O 1P003JEK [0,1,0,0,0,0|0,0,0]=1 782 B8R1.4 Nc1cccc(c1)O 1P00IC9M [0,1,0,0,0,0|0,0,0]=1 783 B8R1.4 Nc1cccc(c1)S 1P002M3F [0,1,0,0,0,0|0,1,0]=2 784 B8R1.4 Nc1cccc(n1)Br 1P002BO6 [0,1,0,0,0,0|2,0,0]=3 785 B8R1.4 Nc1cccc(n1)Cl 1P003GYY [0,1,0,0,0,0|2,0,0]=3 786 B8R1.4 Nc1cccc(n1)F 1P001RT3 [0,1,0,0,0,0|2,0,0]=3 787 B8R1.4 Nc1cccc(n1)I 1P0049TH [0,1,0,0,0,0|2,0,0]=3 788 B8R1.4 Nc1cccc(n1)I 1P0290TM [0,1,0,0,0,0|2,0,0]=3 789 B8R1.4 Nc1cccc(n1)N 1P001G6V [0,1,0,0,0,0|2,0,0]=3 790 B8R1.4 Nc1cccc(n1)N 1P007YE7 [0,1,0,0,0,0|2,0,0]=3 791 B8R1.4 Nc1cccc(n1)O 1P009907 [0,1,0,0,0,0|1,0,0]=2 792 B8R1.4 Nc1cccc(n1)O 1P00EJ34 [0,1,0,0,0,0|1,0,0]=2 793 B8R1.4 Nc1ccnc(=O)[nH]1 1P003551 [0,1,0,0,0,0|2,0,1]=4 794 B8R1.4 Nc1ccnc(c1)Br 1P008PDO [0,1,0,0,0,0|2,0,0]=3 795 B8R1.4 Nc1ccnc(c1)C 1P003L5H [0,1,0,0,0,0|2,0,0]=3 796 B8R1.4 Nc1ccnc(c1)Cl 1P001JSL [0,1,0,0,0,0|2,0,0]=3 797 B8R1.4 Nc1ccnc(c1)F 1P0076RG [0,1,0,0,0,0|2,0,0]=3 798 B8R1.4 Nc1ccnc(c1)I 1P0049B4 [0,1,0,0,0,0|2,0,0]=3 799 B8R1.4 Nc1ccnc(c1)N 1P003UIZ [0,1,0,0,0,0|2,0,0]=3 800 B8R1.4 Nc1ccnc(c1)O 1P00EJV9 [0,1,0,0,0,0|1,0,0]=2 801 B8R1.4 Nc1ccnc(n1)Br 1P000C3K [0,1,0,0,0,0|3,0,0]=4 802 B8R1.4 Nc1ccnc(n1)C 1P005AMT [0,1,0,0,0,0|3,0,0]=4 803 B8R1.4 Nc1ccnc(n1)Cl 1P0034CS [0,1,0,0,0,0|3,0,0]=4 804 B8R1.4 Nc1ccnc(n1)F 1P006R5D [0,1,0,0,0,0|3,0,0]=4 805 B8R1.4 Nc1ccnc(n1)S 1P00BYPV [0,1,0,0,0,0|2,1,0]=4 806 B8R1.4 Nc1cncc(c1)Br 1P003MYS [0,1,0,0,0,0|2,0,0]=3 807 B8R1.4 Nc1cncc(c1)Cl 1P00BDAV [0,1,0,0,0,0|2,0,0]=3 808 B8R1.4 Nc1cncc(c1)F 1P002L2C [0,1,0,0,0,0|2,0,0]=3 809 B8R1.4 Nc1cncc(c1)I 1P003NA0 [0,1,0,0,0,0|2,0,0]=3 810 B8R1.4 Nc1cncc(c1)N 1P00396A [0,1,0,0,0,0|2,0,0]=3 811 B8R1.4 Nc1cncc(c1)N 1P01EKHM [0,1,0,0,0,0|2,0,0]=3 812 B8R1.4 Nc1cncc(c1)N 1P02836T [0,1,0,0,0,0|2,0,0]=3 813 B8R1.4 Nc1cncc(c1)O 1P00I7HX [0,1,0,0,0,0|1,0,0]=2 814 B8R1.4 Nc1cncc(n1)Br 1P0037JP [0,1,0,0,0,0|3,0,0]=4 815 B8R1.4 Nc1cncc(n1)Cl 1P0033PC [0,1,0,0,0,0|3,0,0]=4 816 B8R1.4 Nc1cncc(n1)F 1P019DIS [0,1,0,0,0,0|3,0,0]=4 817 B8R1.4 Nc1cncc(n1)N 1P00137A [0,1,0,0,0,0|3,0,0]=4 818 B8R1.4 Nc1cncc(n1)N 1P0033HL [0,1,0,0,0,0|3,0,0]=4 819 B8R1.4 Nc1cncc(n1)O 1P009QDG [0,1,0,0,0,0|2,0,0]=3 820 B8R1.4 Nc1cnnc(c1)Br 1P019GEG [0,1,0,0,0,0|3,0,0]=4 821 B8R1.4 Nc1cnnc(c1)C 1P01C6ZT [0,1,0,0,0,0|3,0,0]=4 822 B8R1.4 Nc1cnnc(c1)Cl 1P002VSC [0,1,0,0,0,0|3,0,0]=4 823 B8R1.4 Nc1cnnc(c1)F 1P028YQV [0,1,0,0,0,0|3,0,0]=4 824 B8R1.4 Nc1cnnc(c1)I 1P028VLK [0,1,0,0,0,0|3,0,0]=4 825 B8R1.4 Nc1cnnc(c1)N 1P028087 [0,1,0,0,0,0|3,0,0]=4 826 B8R1.4 Nc1nc(=O)cc[nH]1 1P003RKF [0,1,0,0,0,0|2,0,1]=4 827 B8R1.4 Nc1nc[nH]c(=N)c1 1P00G2XU [0,1,0,0,0,0|3,0,0]=4 828 B8R1.4 Nc1nc[nH]c(=O)c1 1P000IZY [0,1,0,0,0,0|2,0,1]=4 829 B8R1.4 Nc1ncnc(c1)Br 1P000HR2 [0,1,0,0,0,0|3,0,0]=4 830 B8R1.4 Nc1ncnc(c1)Cl 1P0034D5 [0,1,0,0,0,0|3,0,0]=4 831 B8R1.4 Nc1ncnc(c1)F 1P00E2DW [0,1,0,0,0,0|3,0,0]=4 832 B8R1.4 Nc1ncnc(c1)I 1P00DJJO [0,1,0,0,0,0|3,0,0]=4 833 B8R1.4 Nc1ncnc(c1)N 1P003KZL [0,1,0,0,0,0|3,0,0]=4 834 B8R1.4 O=C1CC=CC(=O)O1 1P0037LX [0,1,0,0,0,0|1,0,2]=4 835 B8R1.4 O=C1CC=NC(=C1)Cl 1P00AOZG [0,1,0,0,0,0|1,0,2]=4 836 B8R1.4 O=C1NC=CC(=O)C1 1P01KKXV [0,1,0,0,0,0|1,0,2]=4 837 B8R1.4 O=C1OC=CC(=O)C1 1P0038JQ [0,1,0,0,0,0|1,0,2]=4 838 B8R1.4 O=c1cc[15nH][13c](=O)[15nH]1 1P0023EO [0,1,0,0,0,0|2,0,1]=4 839 B8R1.4 O=c1cc[nH]c(=O)[nH]1 1P00368Z [0,1,0,0,0,0|2,0,1]=4 840 B8R1.4 O=c1cc[nH]c(=S)[nH]1 1P001G6U [0,1,0,0,0,0|2,0,1]=4 841 B8R1.4 O=c1cc[nH]c(=[Se])[nH]1 1P00B386 [0,1,0,0,0,0|2,0,1]=4 842 B8R1.4 O=c1cc[nH]c(c1)Br 1P00DRAQ [0,1,0,0,0,0|1,0,1]=3 843 B8R1.4 O=c1ccoc(c1)C 1P00F0CB [0,1,0,0,0,0|1,0,1]=3 844 B8R1.4 O=c1nc[nH]c(c1)Br 1P0038G2 [0,1,0,0,0,0|2,0,1]=4 845 B8R1.4 O=c1nc[nH]c(c1)Cl 1P0038AD [0,1,0,0,0,0|2,0,1]=4 846 B8R1.4 O=c1nc[nH]c(c1)S 1P00IBM4 [0,1,0,0,0,0|2,0,1]=4 847 B8R1.4 OC1=CC(=O)CCC1 1P01KKE9 [0,1,0,0,0,0|0,0,3]=4 848 B8R1.4 Oc1cc[nH]c(=O)c1 1P00IM7P [0,1,0,0,0,0|1,0,0]=2 849 B8R1.4 Oc1cccc(=O)[nH]1 1P0038Q5 [0,1,0,0,0,0|1,0,0]=2 850 B8R1.4 Oc1cccc(c1)Br 1P00343M [0,1,0,0,0,0|0,0,0]=1 851 B8R1.4 Oc1cccc(c1)Cl 1P0038GE [0,1,0,0,0,0|0,0,0]=1 852 B8R1.4 Oc1cccc(c1)F 1P00346A [0,1,0,0,0,0|0,0,0]=1 853 B8R1.4 Oc1cccc(c1)I 1P003K2F [0,1,0,0,0,0|0,0,0]=1 854 B8R1.4 Oc1cccc(c1)O 1P00332D [0,1,0,0,0,0|0,0,0]=1 855 B8R1.4 Oc1cccc(c1)S 1P00346Z [0,1,0,0,0,0|0,0,0]=1 856 B8R1.4 Oc1cccc(n1)Br 1P003H7L [0,1,0,0,0,0|1,0,0]=2 857 B8R1.4 Oc1cccc(n1)Cl 1P005NIM [0,1,0,0,0,0|1,0,0]=2 858 B8R1.4 Oc1cccc(n1)F 1P006YCB [0,1,0,0,0,0|1,0,0]=2 859 B8R1.4 Oc1cccc(n1)I 1P01DED2 [0,1,0,0,0,0|1,0,0]=2 860 B8R1.4 Oc1cccc(n1)O 1P003GLI [0,1,0,0,0,0|1,0,0]=2 861 B8R1.4 Oc1ccnc(c1)Br 1P0037ZM [0,1,0,0,0,0|1,0,0]=2 862 B8R1.4 Oc1ccnc(c1)C 1P0034IL [0,1,0,0,0,0|1,0,0]=2 863 B8R1.4 Oc1ccnc(c1)Cl 1P001ZK8 [0,1,0,0,0,0|1,0,0]=2 864 B8R1.4 Oc1ccnc(c1)F 1P007PF0 [0,1,0,0,0,0|1,0,0]=2 865 B8R1.4 Oc1ccnc(c1)N 1P003GW0 [0,1,0,0,0,0|1,0,0]=2 866 B8R1.4 Oc1ccnc(c1)N 1P003GW1 [0,1,0,0,0,0|1,0,0]=2 867 B8R1.4 Oc1ccnc(c1)O 1P003GA0 [0,1,0,0,0,0|1,0,0]=2 868 B8R1.4 Oc1ccnc(n1)C 1P0062KT [0,1,0,0,0,0|2,0,0]=3 869 B8R1.4 Oc1ccnc(n1)C 1P01KJLN [0,1,0,0,0,0|2,0,0]=3 870 B8R1.4 Oc1ccnc(n1)N 1P000310 [0,1,0,0,0,0|2,0,0]=3 871 B8R1.4 Oc1cncc(c1)Br 1P003436 [0,1,0,0,0,0|1,0,0]=2 872 B8R1.4 Oc1cncc(c1)Cl 1P003N4S [0,1,0,0,0,0|1,0,0]=2 873 B8R1.4 Oc1cncc(c1)F 1P002KMO [0,1,0,0,0,0|1,0,0]=2 874 B8R1.4 Oc1cncc(c1)I 1P00BGNK [0,1,0,0,0,0|1,0,0]=2 875 B8R1.4 Oc1cncc(c1)O 1P00C79T [0,1,0,0,0,0|1,0,0]=2 876 B8R1.4 Oc1cncc(n1)Br 1P01DX73 [0,1,0,0,0,0|2,0,0]=3 877 B8R1.4 Oc1cnnc(c1)Cl 1P001H43 [0,1,0,0,0,0|2,0,0]=3 878 B8R1.4 Oc1cnnc(c1)O 1P00AMX3 [0,1,0,0,0,0|2,0,0]=3 879 B8R1.4 Oc1cnnc(n1)O 1P003DRS [0,1,0,0,0,0|3,0,0]=4 880 B8R1.4 Oc1nc[nH]c(=O)c1 1P000IZX [0,1,0,0,0,0|2,0,0]=3 881 B8R1.4 S=c1cc[nH]c(=O)[nH]1 1P0034M8 [0,1,0,0,0,0|2,0,1]=4 882 B8R1.4 S=c1cc[nH]c(=S)[nH]1 1P002D01 [0,1,0,0,0,0|2,1,0]=4 883 B8R1.4 Sc1cc[nH]c(=O)c1 1P0282DR [0,1,0,0,0,0|1,0,1]=3 884 B8R1.4 Sc1cccc(c1)Br 1P003JM3 [0,1,0,0,0,0|0,1,0]=2 885 B8R1.4 Sc1cccc(c1)Cl 1P003JSI [0,1,0,0,0,0|0,1,0]=2 886 B8R1.4 Sc1cccc(c1)I 1P01BL0D [0,1,0,0,0,0|0,1,0]=2 887 B8R1.4 Sc1cccc(c1)S 1P00331W [0,1,0,0,0,0|0,1,0]=2 888 B8R1.4 Sc1cncc(c1)Br 1P00DKMY [0,1,0,0,0,0|1,1,0]=3 889 B8R1.4 Sc1cncc(c1)Br 1P01XDEC [0,1,0,0,0,0|1,1,0]=3 890 B8R1.4 [O-][n+]1cccc(c1)Br 1P00BDV5 [0,1,0,0,0,0|1,0,1]=3 891 B8R1.4 [O-][n+]1cccc(c1)C 1P0001YU [0,1,0,0,0,0|1,0,1]=3 892 B8R1.4 [O-][n+]1cccc(c1)Cl 1P00752K [0,1,0,0,0,0|1,0,1]=3 893 B8R1.4 [O-][n+]1cccc(c1)F 1P003JYF [0,1,0,0,0,0|1,0,1]=3 894 B8R1.4 [O-][n+]1cccc(c1)I 1P00KGSS [0,1,0,0,0,0|1,0,1]=3 895 B8R1.4 [O-][n+]1cccc(c1)N 1P01B7G3 [0,1,0,0,0,0|1,0,1]=3 896 B8R1.4 [O-][n+]1cccc(c1)O 1P003KCX [0,1,0,0,0,0|1,0,0]=2 897 B8R1.4 [O-][n+]1ccnc(c1)Cl 1P005PF0 [0,1,0,0,0,0|2,0,1]=4 898 B8R1.4 [O-]c1ccnc(n1)Cl 1P027ULQ [0,1,0,0,0,0|2,0,1]=4 899 B8R1.4 [S-]c1ccnc(c1)C 1P01FLFM [0,1,0,0,0,0|1,1,0]=3 900 B8R1.4 c1([2H])cccc(c1)Br 1P01FG20 [0,1,0,0,0,0|1,0,0]=2 901 B8R1.5 Brc1cccc[n+]1[O-] 1P002J72 [0,1,0,0,0,0|1,0,1]=3 902 B8R1.5 Brc1cccc[n+]1[O-] 1P0033NN [0,1,0,0,0,0|1,0,1]=3 903 B8R1.5 Brc1cccc[n+]1[O-] 1P003H9N [0,1,0,0,0,0|1,0,1]=3 904 B8R1.5 Brc1ccccc1Br 1P0039HG [0,1,0,0,0,0|1,0,0]=2 905 B8R1.5 Brc1ccccc1I 1P003364 [0,1,0,0,0,0|1,0,0]=2 906 B8R1.5 Brc1cccnc1C 1P00342P [0,1,0,0,0,0|2,0,0]=3 907 B8R1.5 Brc1cccnc1Cl 1P0033O3 [0,1,0,0,0,0|2,0,0]=3 908 B8R1.5 Brc1cccnc1F 1P00I7MV [0,1,0,0,0,0|2,0,0]=3 909 B8R1.5 Brc1cccnc1I 1P00BZY8 [0,1,0,0,0,0|2,0,0]=3 910 B8R1.5 Brc1cccnc1N 1P006ZHT [0,1,0,0,0,0|2,0,0]=3 911 B8R1.5 Brc1cccnc1O 1P00342L [0,1,0,0,0,0|1,0,0]=2 912 B8R1.5 Brc1cccnc1S 1P00FGR1 [0,1,0,0,0,0|1,1,0]=3 913 B8R1.5 Brc1ccncc1I 1P0069LC [0,1,0,0,0,0|2,0,0]=3 914 B8R1.5 Brc1ccnnc1C 1P028Z3K [0,1,0,0,0,0|3,0,0]=4 915 B8R1.5 Brc1cnc[nH]c1=O 1P002BR3 [0,1,0,0,0,0|2,0,1]=4 916 B8R1.5 Brc1cnc[nH]c1=O 1P006DLU [0,1,0,0,0,0|2,0,1]=4 917 B8R1.5 Brc1cnccc1Br 1P006ZPB [0,1,0,0,0,0|2,0,0]=3 918 B8R1.5 Brc1cnccc1Br 1P028AT2 [0,1,0,0,0,0|2,0,0]=3 919 B8R1.5 Brc1cnccc1I 1P0036Q5 [0,1,0,0,0,0|2,0,0]=3 920 B8R1.5 Brc1cncnc1C 1P007YVW [0,1,0,0,0,0|3,0,0]=4 921 B8R1.5 Brc1cncnc1Cl 1P00172I [0,1,0,0,0,0|3,0,0]=4 922 B8R1.5 Brc1cncnc1Cl 1P0037J3 [0,1,0,0,0,0|3,0,0]=4 923 B8R1.5 Brc1cncnc1F 1P028WZH [0,1,0,0,0,0|3,0,0]=4 924 B8R1.5 Brc1cncnc1N 1P007YVV [0,1,0,0,0,0|3,0,0]=4 925 B8R1.5 Brc1cnncc1Br 1P0167G8 [0,1,0,0,0,0|3,0,0]=4 926 B8R1.5 Brc1ncccc1Br 1P0033E8 [0,1,0,0,0,0|2,0,0]=3 927 B8R1.5 Brc1nccnc1Br 1P006D3R [0,1,0,0,0,0|3,0,0]=4 928 B8R1.5 C[n+]1cccnc1N 1P01EX4U [0,1,0,0,0,0|3,0,0]=4 929 B8R1.5 Cc1cccc[n+]1C 1P008F0C [0,1,0,0,0,0|2,0,0]=3 930 B8R1.5 Cc1cccc[n+]1N 1P005AF9 [0,1,0,0,0,0|2,0,0]=3 931 B8R1.5 Cc1cccc[n+]1[O-] 1P0033W7 [0,1,0,0,0,0|1,0,1]=3 932 B8R1.5 Cc1ccccc1Br 1P0033NP [0,1,0,0,0,0|1,0,0]=2 933 B8R1.5 Cc1ccccc1Cl 1P0060OI [0,1,0,0,0,0|1,0,0]=2 934 B8R1.5 Cc1ccccc1F 1P0060O5 [0,1,0,0,0,0|1,0,0]=2 935 B8R1.5 Cc1ccccc1I 1P003HXP [0,1,0,0,0,0|1,0,0]=2 936 B8R1.5 Cc1ccccc1N 1P003TYU [0,1,0,0,0,0|1,0,0]=2 937 B8R1.5 Cc1ccccc1O 1P005GSC [0,1,0,0,0,0|0,0,0]=1 938 B8R1.5 Cc1ccccc1S 1P001358 [0,1,0,0,0,0|0,1,0]=2 939 B8R1.5 Cc1cccnc1Br 1P003H3T [0,1,0,0,0,0|2,0,0]=3 940 B8R1.5 Cc1cccnc1Cl 1P003HCR [0,1,0,0,0,0|2,0,0]=3 941 B8R1.5 Cc1cccnc1F 1P002OMV [0,1,0,0,0,0|2,0,0]=3 942 B8R1.5 Cc1cccnc1I 1P006ZIM [0,1,0,0,0,0|2,0,0]=3 943 B8R1.5 Cc1cccnc1N 1P003GUI [0,1,0,0,0,0|2,0,0]=3 944 B8R1.5 Cc1cccnc1O 1P006L3K [0,1,0,0,0,0|1,0,0]=2 945 B8R1.5 Cc1ccn[nH]c1=O 1P00C094 [0,1,0,0,0,0|2,0,1]=4 946 B8R1.5 Cc1ccncc1Br 1P00342Z [0,1,0,0,0,0|2,0,0]=3 947 B8R1.5 Cc1ccncc1Cl 1P00344K [0,1,0,0,0,0|2,0,0]=3 948 B8R1.5 Cc1ccncc1F 1P00I8AH [0,1,0,0,0,0|2,0,0]=3 949 B8R1.5 Cc1ccncc1I 1P00CHQ4 [0,1,0,0,0,0|2,0,0]=3 950 B8R1.5 Cc1ccncc1N 1P00341P [0,1,0,0,0,0|2,0,0]=3 951 B8R1.5 Cc1ccncc1O 1P003K0L [0,1,0,0,0,0|1,0,0]=2 952 B8R1.5 Cc1ccnnc1Br 1P001H7G [0,1,0,0,0,0|3,0,0]=4 953 B8R1.5 Cc1ccnnc1Cl 1P005MDO [0,1,0,0,0,0|3,0,0]=4 954 B8R1.5 Cc1ccnnc1N 1P003JCM [0,1,0,0,0,0|3,0,0]=4 955 B8R1.5 Cc1cnccc1Br 1P0034EI [0,1,0,0,0,0|2,0,0]=3 956 B8R1.5 Cc1cnccc1Br 1P00HF33 [0,1,0,0,0,0|2,0,0]=3 957 B8R1.5 Cc1cnccc1C 1P00E9VT [0,1,0,0,0,0|2,0,0]=3 958 B8R1.5 Cc1cnccc1Cl 1P001Y9Y [0,1,0,0,0,0|2,0,0]=3 959 B8R1.5 Cc1cnccc1Cl 1P003LLP [0,1,0,0,0,0|2,0,0]=3 960 B8R1.5 Cc1cnccc1F 1P002VYO [0,1,0,0,0,0|2,0,0]=3 961 B8R1.5 Cc1cnccc1I 1P01ELGO [0,1,0,0,0,0|2,0,0]=3 962 B8R1.5 Cc1cnccc1N 1P002CC8 [0,1,0,0,0,0|2,0,0]=3 963 B8R1.5 Cc1cnccc1O 1P00347V [0,1,0,0,0,0|1,0,0]=2 964 B8R1.5 Cc1cncnc1Br 1P000P75 [0,1,0,0,0,0|3,0,0]=4 965 B8R1.5 Cc1cncnc1Cl 1P00DB4W [0,1,0,0,0,0|3,0,0]=4 966 B8R1.5 Cc1cncnc1N 1P0037ZT [0,1,0,0,0,0|3,0,0]=4 967 B8R1.5 Cc1cncnc1O 1P007URT [0,1,0,0,0,0|2,0,0]=3 968 B8R1.5 Cc1cnncc1N 1P00H51F [0,1,0,0,0,0|3,0,0]=4 969 B8R1.5 Cc1cnncc1N 1P01KY6Y [0,1,0,0,0,0|3,0,0]=4 970 B8R1.5 Cc1ncccc1C 1P003G1A [0,1,0,0,0,0|2,0,0]=3 971 B8R1.5 Cc1nccnc1Br 1P003H3S [0,1,0,0,0,0|3,0,0]=4 972 B8R1.5 Cc1nccnc1C 1P003G19 [0,1,0,0,0,0|3,0,0]=4 973 B8R1.5 Cc1nccnc1Cl 1P0033O7 [0,1,0,0,0,0|3,0,0]=4 974 B8R1.5 Cc1nccnc1F 1P028HOG [0,1,0,0,0,0|3,0,0]=4 975 B8R1.5 Cc1nccnc1I 1P00EGD2 [0,1,0,0,0,0|3,0,0]=4 976 B8R1.5 Cc1nccnc1N 1P002BXP [0,1,0,0,0,0|3,0,0]=4 977 B8R1.5 Cc1nccnc1N 1P01FJXT [0,1,0,0,0,0|3,0,0]=4 978 B8R1.5 Cc1nnccc1C 1P01AMA9 [0,1,0,0,0,0|3,0,0]=4 979 B8R1.5 Cc1nncnc1O 1P00HZ45 [0,1,0,0,0,0|3,0,0]=4 980 B8R1.5 Clc1cccc[n+]1C 1P007ZDT [0,1,0,0,0,0|2,0,0]=3 981 B8R1.5 Clc1cccc[n+]1[O-] 1P00291L [0,1,0,0,0,0|1,0,1]=3 982 B8R1.5 Clc1cccc[n+]1[O-] 1P0033QB [0,1,0,0,0,0|1,0,1]=3 983 B8R1.5 Clc1ccccc1Cl 1P00331E [0,1,0,0,0,0|1,0,0]=2 984 B8R1.5 Clc1ccccc1I 1P00337B [0,1,0,0,0,0|1,0,0]=2 985 B8R1.5 Clc1cccnc1Br 1P0033LM [0,1,0,0,0,0|2,0,0]=3 986 B8R1.5 Clc1cccnc1C 1P008RBW [0,1,0,0,0,0|2,0,0]=3 987 B8R1.5 Clc1cccnc1F 1P003JNM [0,1,0,0,0,0|2,0,0]=3 988 B8R1.5 Clc1cccnc1I 1P0036XU [0,1,0,0,0,0|2,0,0]=3 989 B8R1.5 Clc1cccnc1N 1P003GU5 [0,1,0,0,0,0|2,0,0]=3 990 B8R1.5 Clc1cccnc1O 1P003JS9 [0,1,0,0,0,0|1,0,0]=2 991 B8R1.5 Clc1cccnc1S 1P00EJOL [0,1,0,0,0,0|1,1,0]=3 992 B8R1.5 Clc1ccn[nH]c1=O 1P001Y07 [0,1,0,0,0,0|2,0,1]=4 993 B8R1.5 Clc1ccncc1Br 1P00238J [0,1,0,0,0,0|2,0,0]=3 994 B8R1.5 Clc1ccncc1Br 1P0038DU [0,1,0,0,0,0|2,0,0]=3 995 B8R1.5 Clc1ccncc1I 1P003LLL [0,1,0,0,0,0|2,0,0]=3 996 B8R1.5 Clc1ccncc1I 1P01DMJT [0,1,0,0,0,0|2,0,0]=3 997 B8R1.5 Clc1ccnnc1C 1P027OIV [0,1,0,0,0,0|3,0,0]=4 998 B8R1.5 Clc1ccnnc1N 1P01JWN7 [0,1,0,0,0,0|3,0,0]=4 999 B8R1.5 Clc1cnc[nH]c1=S 1P0288KI [0,1,0,0,0,0|2,1,0]=4 1000 B8R1.5 Clc1cnccc1Br 1P005Z31 [0,1,0,0,0,0|2,0,0]=3 1001 B8R1.5 Clc1cnccc1Cl 1P00DECZ [0,1,0,0,0,0|2,0,0]=3 1002 B8R1.5 Clc1cnccc1I 1P008NQC [0,1,0,0,0,0|2,0,0]=3 1003 B8R1.5 Clc1cncnc1Br 1P000SCL [0,1,0,0,0,0|3,0,0]=4 1004 B8R1.5 Clc1cncnc1C 1P00DF1Z [0,1,0,0,0,0|3,0,0]=4 1005 B8R1.5 Clc1cncnc1N 1P0004JZ [0,1,0,0,0,0|3,0,0]=4 1006 B8R1.5 Clc1cncnc1O 1P00DL92 [0,1,0,0,0,0|2,0,0]=3 1007 B8R1.5 Clc1cnncc1Cl 1P000MQH [0,1,0,0,0,0|3,0,0]=4 1008 B8R1.5 Clc1cnncc1Cl 1P00DCB3 [0,1,0,0,0,0|3,0,0]=4 1009 B8R1.5 Clc1ncccc1Cl 1P0033ED [0,1,0,0,0,0|2,0,0]=3 1010 B8R1.5 Clc1nccnc1Br 1P0093ET [0,1,0,0,0,0|3,0,0]=4 1011 B8R1.5 Clc1nccnc1Cl 1P003FYH [0,1,0,0,0,0|3,0,0]=4 1012 B8R1.5 Clc1nccnc1I 1P003BCW [0,1,0,0,0,0|3,0,0]=4 1013 B8R1.5 Clc1ncncc1Cl 1P0037HT [0,1,0,0,0,0|3,0,0]=4 1014 B8R1.5 Clc1nnccc1Cl 1P001Y06 [0,1,0,0,0,0|3,0,0]=4 1015 B8R1.5 Cn1cccnc1=S 1P01EXP3 [0,1,0,0,0,0|2,1,0]=4 1016 B8R1.5 FC1=C(C)C=C=C[N]1 1P00BYXD [0,1,0,0,0,0|2,0,1]=4 1017 B8R1.5 Fc1cccc[n+]1C 1P01BDFY [0,1,0,0,0,0|2,0,0]=3 1018 B8R1.5 Fc1ccccc1Br 1P0033N6 [0,1,0,0,0,0|1,0,0]=2 1019 B8R1.5 Fc1ccccc1Cl 1P003A36 [0,1,0,0,0,0|1,0,0]=2 1020 B8R1.5 Fc1ccccc1I 1P003ESK [0,1,0,0,0,0|1,0,0]=2 1021 B8R1.5 Fc1ccccc1S 1P0033SM [0,1,0,0,0,0|0,1,0]=2 1022 B8R1.5 Fc1cccnc1Br 1P0033LP [0,1,0,0,0,0|2,0,0]=3 1023 B8R1.5 Fc1cccnc1C 1P001R2T [0,1,0,0,0,0|2,0,0]=3 1024 B8R1.5 Fc1cccnc1Cl 1P003HC6 [0,1,0,0,0,0|2,0,0]=3 1025 B8R1.5 Fc1cccnc1I 1P001E78 [0,1,0,0,0,0|2,0,0]=3 1026 B8R1.5 Fc1cccnc1N 1P003GU9 [0,1,0,0,0,0|2,0,0]=3 1027 B8R1.5 Fc1cccnc1O 1P003JVS [0,1,0,0,0,0|1,0,0]=2 1028 B8R1.5 Fc1ccncc1Br 1P000DU4 [0,1,0,0,0,0|2,0,0]=3 1029 B8R1.5 Fc1ccncc1Cl 1P00496H [0,1,0,0,0,0|2,0,0]=3 1030 B8R1.5 Fc1cnc[nH]c1=O 1P00377B [0,1,0,0,0,0|2,0,1]=4 1031 B8R1.5 Fc1cnccc1Br 1P000HQI [0,1,0,0,0,0|2,0,0]=3 1032 B8R1.5 Fc1cnccc1Br 1P00387U [0,1,0,0,0,0|2,0,0]=3 1033 B8R1.5 Fc1cnccc1Cl 1P000IW9 [0,1,0,0,0,0|2,0,0]=3 1034 B8R1.5 Fc1cnccc1Cl 1P0034G5 [0,1,0,0,0,0|2,0,0]=3 1035 B8R1.5 Fc1cnccc1F 1P0038VF [0,1,0,0,0,0|2,0,0]=3 1036 B8R1.5 Fc1cnccc1I 1P00345U [0,1,0,0,0,0|2,0,0]=3 1037 B8R1.5 Fc1cnccc1S 1P01DYY6 [0,1,0,0,0,0|1,1,0]=3 1038 B8R1.5 Fc1cncnc1Br 1P000285 [0,1,0,0,0,0|3,0,0]=4 1039 B8R1.5 Fc1cncnc1Cl 1P00BYYI [0,1,0,0,0,0|3,0,0]=4 1040 B8R1.5 Fc1cncnc1I 1P0285JN [0,1,0,0,0,0|3,0,0]=4 1041 B8R1.5 Fc1cncnc1N 1P00370Z [0,1,0,0,0,0|3,0,0]=4 1042 B8R1.5 Fc1ncccc1F 1P001NQA [0,1,0,0,0,0|2,0,0]=3 1043 B8R1.5 Fc1nccnc1Br 1P002IV2 [0,1,0,0,0,0|3,0,0]=4 1044 B8R1.5 Fc1nccnc1Cl 1P0285JV [0,1,0,0,0,0|3,0,0]=4 1045 B8R1.5 Fc1nccnc1F 1P00I9WA [0,1,0,0,0,0|3,0,0]=4 1046 B8R1.5 Fc1nccnc1I 1P00CG68 [0,1,0,0,0,0|3,0,0]=4 1047 B8R1.5 Fc1ncncc1F 1P0292X9 [0,1,0,0,0,0|3,0,0]=4 1048 B8R1.5 Ic1ccccc1I 1P00E950 [0,1,0,0,0,0|1,0,0]=2 1049 B8R1.5 Ic1cccnc1Br 1P002UAK [0,1,0,0,0,0|2,0,0]=3 1050 B8R1.5 Ic1cccnc1C 1P001NKR [0,1,0,0,0,0|2,0,0]=3 1051 B8R1.5 Ic1cccnc1Cl 1P003HCE [0,1,0,0,0,0|2,0,0]=3 1052 B8R1.5 Ic1cccnc1F 1P000AOS [0,1,0,0,0,0|2,0,0]=3 1053 B8R1.5 Ic1cccnc1N 1P003K2I [0,1,0,0,0,0|2,0,0]=3 1054 B8R1.5 Ic1cccnc1O 1P008ZKZ [0,1,0,0,0,0|1,0,0]=2 1055 B8R1.5 Ic1cnccc1I 1P01KLJE [0,1,0,0,0,0|2,0,0]=3 1056 B8R1.5 Ic1cncnc1Br 1P001MPL [0,1,0,0,0,0|3,0,0]=4 1057 B8R1.5 Ic1cncnc1C 1P00H1F1 [0,1,0,0,0,0|3,0,0]=4 1058 B8R1.5 Ic1cncnc1Cl 1P0037F7 [0,1,0,0,0,0|3,0,0]=4 1059 B8R1.5 Ic1cncnc1F 1P027XFL [0,1,0,0,0,0|3,0,0]=4 1060 B8R1.5 Ic1cncnc1N 1P006NO5 [0,1,0,0,0,0|3,0,0]=4 1061 B8R1.5 Ic1cncnc1O 1P00DEV9 [0,1,0,0,0,0|2,0,0]=3 1062 B8R1.5 Ic1ncccc1I 1P003FZY [0,1,0,0,0,0|2,0,0]=3 1063 B8R1.5 Ic1nccnc1I 1P01K2EU [0,1,0,0,0,0|3,0,0]=4 1064 B8R1.5 Nc1cccc[n+]1C 1P005VX6 [0,1,0,0,0,0|2,0,0]=3 1065 B8R1.5 Nc1cccc[n+]1[O-] 1P001GYV [0,1,0,0,0,0|1,0,1]=3 1066 B8R1.5 Nc1ccccc1Br 1P0033MQ [0,1,0,0,0,0|1,0,0]=2 1067 B8R1.5 Nc1ccccc1Br 1P003H80 [0,1,0,0,0,0|1,0,0]=2 1068 B8R1.5 Nc1ccccc1Cl 1P0033PQ [0,1,0,0,0,0|1,0,0]=2 1069 B8R1.5 Nc1ccccc1Cl 1P003HI4 [0,1,0,0,0,0|1,0,0]=2 1070 B8R1.5 Nc1ccccc1F 1P0033SA [0,1,0,0,0,0|1,0,0]=2 1071 B8R1.5 Nc1ccccc1F 1P00DC77 [0,1,0,0,0,0|1,0,0]=2 1072 B8R1.5 Nc1ccccc1I 1P003HXD [0,1,0,0,0,0|1,0,0]=2 1073 B8R1.5 Nc1ccccc1N 1P0035WA [0,1,0,0,0,0|1,0,0]=2 1074 B8R1.5 Nc1ccccc1N 1P003TY8 [0,1,0,0,0,0|1,0,0]=2 1075 B8R1.5 Nc1ccccc1O 1P00FAMG [0,1,0,0,0,0|0,0,0]=1 1076 B8R1.5 Nc1ccccc1O 1P00I9LJ [0,1,0,0,0,0|0,0,0]=1 1077 B8R1.5 Nc1cccnc1Br 1P003JB2 [0,1,0,0,0,0|2,0,0]=3 1078 B8R1.5 Nc1cccnc1C 1P00341I [0,1,0,0,0,0|2,0,0]=3 1079 B8R1.5 Nc1cccnc1Cl 1P003HBX [0,1,0,0,0,0|2,0,0]=3 1080 B8R1.5 Nc1cccnc1F 1P001RT2 [0,1,0,0,0,0|2,0,0]=3 1081 B8R1.5 Nc1cccnc1I 1P002KMR [0,1,0,0,0,0|2,0,0]=3 1082 B8R1.5 Nc1cccnc1O 1P00IB08 [0,1,0,0,0,0|1,0,0]=2 1083 B8R1.5 Nc1cccnc1O 1P01A8IE [0,1,0,0,0,0|1,0,0]=2 1084 B8R1.5 Nc1ccn[nH]c1=O 1P00DGSD [0,1,0,0,0,0|2,0,1]=4 1085 B8R1.5 Nc1ccncc1Br 1P0034CX [0,1,0,0,0,0|2,0,0]=3 1086 B8R1.5 Nc1ccncc1Cl 1P002BO8 [0,1,0,0,0,0|2,0,0]=3 1087 B8R1.5 Nc1ccncc1F 1P003L66 [0,1,0,0,0,0|2,0,0]=3 1088 B8R1.5 Nc1ccncc1I 1P003L6A [0,1,0,0,0,0|2,0,0]=3 1089 B8R1.5 Nc1ccncc1O 1P003AUC [0,1,0,0,0,0|1,0,0]=2 1090 B8R1.5 Nc1ccncc1O 1P003L68 [0,1,0,0,0,0|1,0,0]=2 1091 B8R1.5 Nc1ccncc1O 1P008WTQ [0,1,0,0,0,0|1,0,0]=2 1092 B8R1.5 Nc1ccnnc1C 1P01A5Q6 [0,1,0,0,0,0|3,0,0]=4 1093 B8R1.5 Nc1ccnnc1Cl 1P00DIBS [0,1,0,0,0,0|3,0,0]=4 1094 B8R1.5 Nc1cnc[nH]c1=O 1P0038XW [0,1,0,0,0,0|2,0,1]=4 1095 B8R1.5 Nc1cnccc1Br 1P00I532 [0,1,0,0,0,0|2,0,0]=3 1096 B8R1.5 Nc1cnccc1Cl 1P002ACF [0,1,0,0,0,0|2,0,0]=3 1097 B8R1.5 Nc1cnccc1F 1P01BBYC [0,1,0,0,0,0|2,0,0]=3 1098 B8R1.5 Nc1cnccc1I 1P0038HQ [0,1,0,0,0,0|2,0,0]=3 1099 B8R1.5 Nc1cnccc1N 1P003IW5 [0,1,0,0,0,0|2,0,0]=3 1100 B8R1.5 Nc1cnccc1O 1P00954L [0,1,0,0,0,0|1,0,0]=2 1101 B8R1.5 Nc1cnccc1S 1P00H1LW [0,1,0,0,0,0|1,1,0]=3 1102 B8R1.5 Nc1cncnc1Br 1P0053HJ [0,1,0,0,0,0|3,0,0]=4 1103 B8R1.5 Nc1cncnc1C 1P00C0LQ [0,1,0,0,0,0|3,0,0]=4 1104 B8R1.5 Nc1cncnc1Cl 1P00D9C5 [0,1,0,0,0,0|3,0,0]=4 1105 B8R1.5 Nc1cncnc1I 1P00H1KQ [0,1,0,0,0,0|3,0,0]=4 1106 B8R1.5 Nc1cncnc1O 1P008WYI [0,1,0,0,0,0|2,0,0]=3 1107 B8R1.5 Nc1cnncc1Br 1P00DICJ [0,1,0,0,0,0|3,0,0]=4 1108 B8R1.5 Nc1cnncc1Cl 1P0037TD [0,1,0,0,0,0|3,0,0]=4 1109 B8R1.5 Nc1cnncc1N 1P002WJ5 [0,1,0,0,0,0|3,0,0]=4 1110 B8R1.5 Nc1ncccc1N 1P00396H [0,1,0,0,0,0|2,0,0]=3 1111 B8R1.5 Nc1nccnc1Br 1P007P84 [0,1,0,0,0,0|3,0,0]=4 1112 B8R1.5 Nc1nccnc1Cl 1P003GU4 [0,1,0,0,0,0|3,0,0]=4 1113 B8R1.5 Nc1nccnc1F 1P019DIR [0,1,0,0,0,0|3,0,0]=4 1114 B8R1.5 Nc1nccnc1I 1P007G5N [0,1,0,0,0,0|3,0,0]=4 1115 B8R1.5 Nc1nccnc1N 1P000WG1 [0,1,0,0,0,0|3,0,0]=4 1116 B8R1.5 Nc1ncncc1N 1P001405 [0,1,0,0,0,0|3,0,0]=4 1117 B8R1.5 Nc1ncncc1N 1P01A7IH [0,1,0,0,0,0|3,0,0]=4 1118 B8R1.5 Nc1ncncc1N 1P01FYMI [0,1,0,0,0,0|3,0,0]=4 1119 B8R1.5 O=c1[nH]cc[nH]c1=O 1P00IHXY [0,1,0,0,0,0|2,0,1]=4 1120 B8R1.5 O=c1[nH]cccc1C 1P0001Z2 [0,1,0,0,0,0|1,0,1]=3 1121 B8R1.5 O=c1[nH]cccc1I 1P01FPD4 [0,1,0,0,0,0|1,0,1]=3 1122 B8R1.5 O=c1[nH]cccc1N 1P003AA1 [0,1,0,0,0,0|1,0,1]=3 1123 B8R1.5 O=c1[nH]ccnc1C 1P002BXQ [0,1,0,0,0,0|2,0,1]=4 1124 B8R1.5 O=c1[nH]ccnc1C 1P01BCE2 [0,1,0,0,0,0|2,0,1]=4 1125 B8R1.5 O=c1[nH]ccnc1Cl 1P0096JP [0,1,0,0,0,0|2,0,1]=4 1126 B8R1.5 O=c1[nH]ccnc1N 1P003JEO [0,1,0,0,0,0|2,0,1]=4 1127 B8R1.5 O=c1cc[nH]cc1N 1P00IBMU [0,1,0,0,0,0|1,0,1]=3 1128 B8R1.5 O=c1ccccn1C 1P0032P3 [0,1,0,0,0,0|1,0,1]=3 1129 B8R1.5 O=c1ccccn1O 1P00G61C [0,1,0,0,0,0|1,0,0]=2 1130 B8R1.5 O=c1ccocc1O 1P003K0A [0,1,0,0,0,0|1,0,0]=2 1131 B8R1.5 O=c1occcc1Br 1P002CSI [0,1,0,0,0,0|1,0,1]=3 1132 B8R1.5 O=c1occcc1O 1P0038A5 [0,1,0,0,0,0|1,0,0]=2 1133 B8R1.5 Oc1c[nH]cnc1=O 1P01K5EN [0,1,0,0,0,0|2,0,0]=3 1134 B8R1.5 Oc1cccc[n+]1[O-] 1P000ZZ3 [0,1,0,0,0,0|1,0,0]=2 1135 B8R1.5 Oc1ccccc1Br 1P003A35 [0,1,0,0,0,0|0,0,0]=1 1136 B8R1.5 Oc1ccccc1Cl 1P003HJP [0,1,0,0,0,0|0,0,0]=1 1137 B8R1.5 Oc1ccccc1F 1P003HSS [0,1,0,0,0,0|0,0,0]=1 1138 B8R1.5 Oc1ccccc1O 1P000QI9 [0,1,0,0,0,0|0,0,0]=1 1139 B8R1.5 Oc1ccccc1O 1P01HPCV [0,1,0,0,0,0|0,0,0]=1 1140 B8R1.5 Oc1ccccc1S 1P003HZ2 [0,1,0,0,0,0|0,0,0]=1 1141 B8R1.5 Oc1cccnc1Br 1P0033LQ [0,1,0,0,0,0|1,0,0]=2 1142 B8R1.5 Oc1cccnc1C 1P00346K [0,1,0,0,0,0|1,0,0]=2 1143 B8R1.5 Oc1cccnc1Cl 1P0033O5 [0,1,0,0,0,0|1,0,0]=2 1144 B8R1.5 Oc1cccnc1F 1P0020B6 [0,1,0,0,0,0|1,0,0]=2 1145 B8R1.5 Oc1cccnc1I 1P003HX4 [0,1,0,0,0,0|1,0,0]=2 1146 B8R1.5 Oc1cccnc1N 1P003GUC [0,1,0,0,0,0|1,0,0]=2 1147 B8R1.5 Oc1ccncc1Br 1P003JIN [0,1,0,0,0,0|1,0,0]=2 1148 B8R1.5 Oc1ccncc1Cl 1P003JOW [0,1,0,0,0,0|1,0,0]=2 1149 B8R1.5 Oc1ccncc1F 1P0036K6 [0,1,0,0,0,0|1,0,0]=2 1150 B8R1.5 Oc1ccncc1I 1P003K2J [0,1,0,0,0,0|1,0,0]=2 1151 B8R1.5 Oc1ccnnc1Cl 1P0014KA [0,1,0,0,0,0|2,0,0]=3 1152 B8R1.5 Oc1ccnnc1N 1P002QN4 [0,1,0,0,0,0|2,0,0]=3 1153 B8R1.5 Oc1cnc[nH]c1=N 1P00DIFU [0,1,0,0,0,0|2,0,0]=3 1154 B8R1.5 Oc1cnc[nH]c1=O 1P001QMI [0,1,0,0,0,0|2,0,0]=3 1155 B8R1.5 Oc1cnccc1Br 1P001SX1 [0,1,0,0,0,0|1,0,0]=2 1156 B8R1.5 Oc1cnccc1Cl 1P0034G7 [0,1,0,0,0,0|1,0,0]=2 1157 B8R1.5 Oc1cnccc1I 1P002H4K [0,1,0,0,0,0|1,0,0]=2 1158 B8R1.5 Oc1cnccc1O 1P00063S [0,1,0,0,0,0|1,0,0]=2 1159 B8R1.5 Oc1cncnc1C 1P0004JY [0,1,0,0,0,0|2,0,0]=3 1160 B8R1.5 Oc1cnncc1Br 1P01KX79 [0,1,0,0,0,0|2,0,0]=3 1161 B8R1.5 Oc1cnncc1Br 1P028MSV [0,1,0,0,0,0|2,0,0]=3 1162 B8R1.5 Oc1cnncc1Cl 1P000MOM [0,1,0,0,0,0|2,0,0]=3 1163 B8R1.5 Oc1ncccc1O 1P0036P2 [0,1,0,0,0,0|1,0,0]=2 1164 B8R1.5 Oc1nccnc1Br 1P009KC7 [0,1,0,0,0,0|2,0,0]=3 1165 B8R1.5 Oc1nccnc1I 1P028MFM [0,1,0,0,0,0|2,0,0]=3 1166 B8R1.5 Oc1nccnc1O 1P01EC4P [0,1,0,0,0,0|2,0,0]=3 1167 B8R1.5 S=C1C=CN=CC1C 1P019DS7 [0,1,0,0,0,0|1,1,1]=4 1168 B8R1.5 S=c1[nH]cccc1C 1P0076M2 [0,1,0,0,0,0|1,1,0]=3 1169 B8R1.5 S=c1[nH]cccc1F 1P01BDFB [0,1,0,0,0,0|1,1,0]=3 1170 B8R1.5 S=c1[nH]cccc1N 1P00C6TQ [0,1,0,0,0,0|1,1,0]=3 1171 B8R1.5 S=c1[nH]cccc1O 1P002MAZ [0,1,0,0,0,0|1,0,0]=2 1172 B8R1.5 S=c1[nH]ccnc1C 1P01GFHU [0,1,0,0,0,0|2,1,0]=4 1173 B8R1.5 S=c1ccccn1O 1P008SNF [0,1,0,0,0,0|1,0,0]=2 1174 B8R1.5 S=c1ccccn1O 1P00HTTH [0,1,0,0,0,0|1,0,0]=2 1175 B8R1.5 S=c1ccccn1[O-] 1P00HYQ0 [0,1,0,0,0,0|1,0,1]=3 1176 B8R1.5 Sc1cccc[n+]1[O-] 1P003IDU [0,1,0,0,0,0|1,0,1]=3 1177 B8R1.5 Sc1ccccc1Br 1P003H9T [0,1,0,0,0,0|0,1,0]=2 1178 B8R1.5 Sc1ccccc1Cl 1P0033QH [0,1,0,0,0,0|0,1,0]=2 1179 B8R1.5 Sc1ccccc1I 1P00CMOS [0,1,0,0,0,0|0,1,0]=2 1180 B8R1.5 Sc1ccccc1S 1P0021E0 [0,1,0,0,0,0|0,1,0]=2 1181 B8R1.5 Sc1ccncc1Br 1P00G47E [0,1,0,0,0,0|1,1,0]=3 1182 B8R1.5 Sc1ccncc1Cl 1P01BIHD [0,1,0,0,0,0|1,1,0]=3 1183 B8R1.5 [O-]c1ccccc1C 1P00E08C [0,1,0,0,0,0|0,0,1]=2 1184 B8R1.5 [S-]c1cccc[n+]1[O-] 1P00I7Z0 [0,1,0,0,0,0|1,0,1]=3 1185 B6R0.1 C=CCC(C=C)O 1P003340 [0,0,1,0,0,0|0,0,2]=3 1186 B6R0.4 BrC\C=C\C(=O)O 1P001C9M [0,0,1,0,0,0|2,0,1]=4 1187 B6R0.4 C=CC=CC(=O)O 1P00IBIF [0,0,1,0,0,0|1,0,0]=2 1188 B6R0.4 C=CCCC(=O)O 1P0037ZD [0,0,1,0,0,0|1,0,2]=4 1189 B6R0.4 C=C\C=C/C(=O)O 1P01DEBA [0,0,1,0,0,0|1,0,0]=2 1190 B6R0.4 C=C\C=C\C(=O)O 1P0070UZ [0,0,1,0,0,0|1,0,0]=2 1191 B6R0.4 CC\C=C/C(=O)O 1P00B62Y [0,0,1,0,0,0|1,0,2]=4 1192 B6R0.4 CC\C=C\C(=O)O 1P001C9L [0,0,1,0,0,0|1,0,2]=4 1193 B6R0.4 COC=CC(=O)O 1P01KAIU [0,0,1,0,0,0|2,0,1]=4 1194 B6R0.4 CO\C=C\C(=O)O 1P01J5LZ [0,0,1,0,0,0|2,0,1]=4 1195 B6R0.4 C\C=C\CC(=O)O 1P001WA4 [0,0,1,0,0,0|1,0,2]=4 1196 B6R0.4 ClCC=CC(=O)O 1P001T1M [0,0,1,0,0,0|2,0,1]=4 1197 B6R0.4 ClC\C=C\C(=O)O 1P01DL21 [0,0,1,0,0,0|2,0,1]=4 1198 B6R0.4 N#C\C=C\C(=O)O 1P024H2K [0,0,1,0,0,0|2,0,1]=4 1199 B6R0.4 NCC=CC(=O)O 1P01BG7C [0,0,1,0,0,0|2,0,1]=4 1200 B6R0.4 NC\C=C\C(=O)O 1P00IMT6 [0,0,1,0,0,0|2,0,1]=4 1201 B6R0.4 OC(=O)CC=C=C 1P01HNC6 [0,0,1,0,0,0|1,0,2]=4 1202 B6R0.4 OC(=O)C\C=C\Br 1P028E18 [0,0,1,0,0,0|2,0,1]=4 1203 B6R0.4 OC\C=C\C(=O)O 1P002P4F [0,0,1,0,0,0|2,0,1]=4 1204 B6R0.6 CC=CC=CC#N 1P001NWM [0,0,1,0,0,0|1,0,2]=4 1205 B6R0.6 CC=CC=CCO 1P003VBC [0,0,1,0,0,0|0,0,2]=3 1206 B6R0.6 C\C=C\C=C\CN 1P01DWZV [0,0,1,0,0,0|1,0,2]=4 1207 B6R0.6 C\C=C\C=C\CO 1P003CHO [0,0,1,0,0,0|0,0,2]=3 1208 B6R0.6 OCC\C=C\C=C 1P005YFP [0,0,1,0,0,0|0,0,2]=3 1209 B6R0.6 [O-]C\C=C\C=C\C 1P006TR9 [0,0,1,0,0,0|0,0,3]=4 1210 B8R2.25 c1ccc2c(c1)C2 1P00E0DR [0,0,0,1,0,0|1,0,0]=2 1211 B8R2.34 C1=CC2CC1C=C2 1P000KKR [0,0,0,1,0,0|1,0,2]=4 1212 B8R2.34 C1=CC2CC1C=C2 1P0032PZ [0,0,0,1,0,0|1,0,2]=4 1213 B8R2.34 C1=CC2CC1C=C2 1P009GH9 [0,0,0,1,0,0|1,0,2]=4 1214 B6R1.2 Br[C-]1C=CC=C1 1P000XDE [0,0,0,0,1,0|1,0,1]=3 1215 B6R1.2 Br[C-]1C=CC=C1 1P000ZJA [0,0,0,0,1,0|1,0,1]=3 1216 B6R1.2 Brc1c[nH]nc1 1P002JKA [0,0,0,0,1,0|3,0,0]=4 1217 B6R1.2 Brc1cc[nH]n1 1P001L55 [0,0,0,0,1,0|3,0,0]=4 1218 B6R1.2 Brc1cccs1 1P0001YI [0,0,0,0,1,0|2,0,0]=3 1219 B6R1.2 Brc1ccn[nH]1 1P008UPN [0,0,0,0,1,0|3,0,0]=4 1220 B6R1.2 Brc1ccno1 1P0008UV [0,0,0,0,1,0|3,0,0]=4 1221 B6R1.2 Brc1ccns1 1P003847 [0,0,0,0,1,0|3,0,0]=4 1222 B6R1.2 Brc1ccon1 1P008TPD [0,0,0,0,1,0|3,0,0]=4 1223 B6R1.2 Brc1ccsn1 1P0037J9 [0,0,0,0,1,0|3,0,0]=4 1224 B6R1.2 Brc1cnc[nH]1 1P002MDC [0,0,0,0,1,0|3,0,0]=4 1225 B6R1.2 Brc1cnco1 1P0094A7 [0,0,0,0,1,0|3,0,0]=4 1226 B6R1.2 Brc1cnco1 1P01B653 [0,0,0,0,1,0|3,0,0]=4 1227 B6R1.2 Brc1cncs1 1P00309V [0,0,0,0,1,0|3,0,0]=4 1228 B6R1.2 Brc1cocc1 1P00343I [0,0,0,0,1,0|2,0,0]=3 1229 B6R1.2 Brc1cocn1 1P009WUS [0,0,0,0,1,0|3,0,0]=4 1230 B6R1.2 Brc1cocn1 1P01B6N4 [0,0,0,0,1,0|3,0,0]=4 1231 B6R1.2 Brc1conc1 1P00375F [0,0,0,0,1,0|3,0,0]=4 1232 B6R1.2 Brc1cscc1 1P00343T [0,0,0,0,1,0|2,0,0]=3 1233 B6R1.2 Brc1cscn1 1P0034FH [0,0,0,0,1,0|3,0,0]=4 1234 B6R1.2 Brc1csnc1 1P0038M0 [0,0,0,0,1,0|3,0,0]=4 1235 B6R1.2 Brc1ncc[nH]1 1P0038GT [0,0,0,0,1,0|3,0,0]=4 1236 B6R1.2 Brc1ncc[nH]1 1P01ELJO [0,0,0,0,1,0|3,0,0]=4 1237 B6R1.2 Brc1ncco1 1P000O9T [0,0,0,0,1,0|3,0,0]=4 1238 B6R1.2 Brc1ncco1 1P01AC0E [0,0,0,0,1,0|3,0,0]=4 1239 B6R1.2 Brc1nccs1 1P00309X [0,0,0,0,1,0|3,0,0]=4 1240 B6R1.2 C1NC(=O)C=C1 1P0037XN [0,0,0,0,1,0|1,0,2]=4 1241 B6R1.2 C1OC(=O)C=C1 1P0037VR [0,0,0,0,1,0|1,0,2]=4 1242 B6R1.2 C1OC=CC1=O 1P01HH13 [0,0,0,0,1,0|1,0,2]=4 1243 B6R1.2 C1SC(=O)C=C1 1P00CB5Q [0,0,0,0,1,0|1,0,2]=4 1244 B6R1.2 C[C-]1C=CC=C1 1P000ZBQ [0,0,0,0,1,0|1,0,1]=3 1245 B6R1.2 Cc1[n-]ccn1 1P00EFKI [0,0,0,0,1,0|3,0,0]=4 1246 B6R1.2 Cc1c[nH+][nH]c1 1P00DF5M [0,0,0,0,1,0|3,0,0]=4 1247 B6R1.2 Cc1c[nH]cc1 1P00347O [0,0,0,0,1,0|2,0,0]=3 1248 B6R1.2 Cc1c[nH]cn1 1P0034KA [0,0,0,0,1,0|3,0,0]=4 1249 B6R1.2 Cc1c[nH]nc1 1P0034KB [0,0,0,0,1,0|3,0,0]=4 1250 B6R1.2 Cc1cc[nH]n1 1P001L8I [0,0,0,0,1,0|3,0,0]=4 1251 B6R1.2 Cc1ccc[nH]1 1P0036CQ [0,0,0,0,1,0|2,0,0]=3 1252 B6R1.2 Cc1ccco1 1P003I5W [0,0,0,0,1,0|2,0,0]=3 1253 B6R1.2 Cc1ccn[nH]1 1P00GV5F [0,0,0,0,1,0|3,0,0]=4 1254 B6R1.2 Cc1ccn[nH]1 1P00HFKT [0,0,0,0,1,0|3,0,0]=4 1255 B6R1.2 Cc1ccno1 1P0034RJ [0,0,0,0,1,0|3,0,0]=4 1256 B6R1.2 Cc1ccns1 1P00FD3O [0,0,0,0,1,0|3,0,0]=4 1257 B6R1.2 Cc1ccon1 1P0031XW [0,0,0,0,1,0|3,0,0]=4 1258 B6R1.2 Cc1cnc[nH]1 1P002MX4 [0,0,0,0,1,0|3,0,0]=4 1259 B6R1.2 Cc1cnco1 1P0037GR [0,0,0,0,1,0|3,0,0]=4 1260 B6R1.2 Cc1cncs1 1P003ND8 [0,0,0,0,1,0|3,0,0]=4 1261 B6R1.2 Cc1cocc1 1P003K7Y [0,0,0,0,1,0|2,0,0]=3 1262 B6R1.2 Cc1cocn1 1P00376B [0,0,0,0,1,0|3,0,0]=4 1263 B6R1.2 Cc1conc1 1P00EDTH [0,0,0,0,1,0|3,0,0]=4 1264 B6R1.2 Cc1cscc1 1P0037J4 [0,0,0,0,1,0|2,0,0]=3 1265 B6R1.2 Cc1cscn1 1P0034KU [0,0,0,0,1,0|3,0,0]=4 1266 B6R1.2 Cc1csnc1 1P00FFVP [0,0,0,0,1,0|3,0,0]=4 1267 B6R1.2 Cc1ncc[nH]1 1P0033UW [0,0,0,0,1,0|3,0,0]=4 1268 B6R1.2 Cc1ncc[nH]1 1P01FPHT [0,0,0,0,1,0|3,0,0]=4 1269 B6R1.2 Cc1ncco1 1P002MBP [0,0,0,0,1,0|3,0,0]=4 1270 B6R1.2 Cc1nccs1 1P003I7G [0,0,0,0,1,0|3,0,0]=4 1271 B6R1.2 Clc1c[nH]nc1 1P001RBV [0,0,0,0,1,0|3,0,0]=4 1272 B6R1.2 Clc1cc[nH]n1 1P0039E9 [0,0,0,0,1,0|3,0,0]=4 1273 B6R1.2 Clc1cccs1 1P0033WN [0,0,0,0,1,0|2,0,0]=3 1274 B6R1.2 Clc1ccn[nH]1 1P00H1ES [0,0,0,0,1,0|3,0,0]=4 1275 B6R1.2 Clc1ccon1 1P005DEE [0,0,0,0,1,0|3,0,0]=4 1276 B6R1.2 Clc1ccsn1 1P001ID4 [0,0,0,0,1,0|3,0,0]=4 1277 B6R1.2 Clc1cnc[nH]1 1P001RQY [0,0,0,0,1,0|3,0,0]=4 1278 B6R1.2 Clc1cncs1 1P01B60F [0,0,0,0,1,0|3,0,0]=4 1279 B6R1.2 Clc1cscc1 1P0038PL [0,0,0,0,1,0|2,0,0]=3 1280 B6R1.2 Clc1cscn1 1P003LP9 [0,0,0,0,1,0|3,0,0]=4 1281 B6R1.2 Clc1csnc1 1P002QQB [0,0,0,0,1,0|3,0,0]=4 1282 B6R1.2 Clc1ncc[nH]1 1P001TQY [0,0,0,0,1,0|3,0,0]=4 1283 B6R1.2 Clc1ncco1 1P01C0J0 [0,0,0,0,1,0|3,0,0]=4 1284 B6R1.2 Clc1nccs1 1P00309Y [0,0,0,0,1,0|3,0,0]=4 1285 B6R1.2 Cn1cccc1 1P003TMI [0,0,0,0,1,0|2,0,0]=3 1286 B6R1.2 Cn1cccn1 1P003EXX [0,0,0,0,1,0|3,0,0]=4 1287 B6R1.2 Cn1cncc1 1P001NMJ [0,0,0,0,1,0|3,0,0]=4 1288 B6R1.2 Cn1cncc1 1P007BCU [0,0,0,0,1,0|3,0,0]=4 1289 B6R1.2 Fc1c[nH]nc1 1P0036N9 [0,0,0,0,1,0|3,0,0]=4 1290 B6R1.2 Fc1c[nH]nc1 1P00I3ON [0,0,0,0,1,0|3,0,0]=4 1291 B6R1.2 Fc1cc[nH]n1 1P001L54 [0,0,0,0,1,0|3,0,0]=4 1292 B6R1.2 Fc1cccs1 1P00BYBL [0,0,0,0,1,0|2,0,0]=3 1293 B6R1.2 Fc1cnc[nH]1 1P007K08 [0,0,0,0,1,0|3,0,0]=4 1294 B6R1.2 Fc1cocc1 1P0292CG [0,0,0,0,1,0|2,0,0]=3 1295 B6R1.2 Fc1cscc1 1P003268 [0,0,0,0,1,0|2,0,0]=3 1296 B6R1.2 Fc1ncc[nH]1 1P00CM2R [0,0,0,0,1,0|3,0,0]=4 1297 B6R1.2 Fc1nccs1 1P00BI23 [0,0,0,0,1,0|3,0,0]=4 1298 B6R1.2 Ic1c[nH]cn1 1P0034JK [0,0,0,0,1,0|3,0,0]=4 1299 B6R1.2 Ic1c[nH]nc1 1P003M1M [0,0,0,0,1,0|3,0,0]=4 1300 B6R1.2 Ic1cc[nH]n1 1P00037Y [0,0,0,0,1,0|3,0,0]=4 1301 B6R1.2 Ic1cccs1 1P0033TX [0,0,0,0,1,0|2,0,0]=3 1302 B6R1.2 Ic1ccn[nH]1 1P0038Q7 [0,0,0,0,1,0|3,0,0]=4 1303 B6R1.2 Ic1ccns1 1P00J3CN [0,0,0,0,1,0|3,0,0]=4 1304 B6R1.2 Ic1cnco1 1P027WF8 [0,0,0,0,1,0|3,0,0]=4 1305 B6R1.2 Ic1cncs1 1P009R22 [0,0,0,0,1,0|3,0,0]=4 1306 B6R1.2 Ic1cocn1 1P01BJ4G [0,0,0,0,1,0|3,0,0]=4 1307 B6R1.2 Ic1conc1 1P004YU2 [0,0,0,0,1,0|3,0,0]=4 1308 B6R1.2 Ic1cscc1 1P00860K [0,0,0,0,1,0|2,0,0]=3 1309 B6R1.2 Ic1cscn1 1P01BUQT [0,0,0,0,1,0|3,0,0]=4 1310 B6R1.2 Ic1csnc1 1P00DCN7 [0,0,0,0,1,0|3,0,0]=4 1311 B6R1.2 Ic1ncc[nH]1 1P00309S [0,0,0,0,1,0|3,0,0]=4 1312 B6R1.2 Ic1ncco1 1P00IF7W [0,0,0,0,1,0|3,0,0]=4 1313 B6R1.2 Ic1nccs1 1P00309W [0,0,0,0,1,0|3,0,0]=4 1314 B6R1.2 N=c1[nH]cc[nH]1 1P00CM2O [0,0,0,0,1,0|3,0,0]=4 1315 B6R1.2 N=c1scc[nH]1 1P00IK6V [0,0,0,0,1,0|3,0,0]=4 1316 B6R1.2 N[C-]1C=CC=C1 1P000XDB [0,0,0,0,1,0|1,0,1]=3 1317 B6R1.2 Nc1c[nH]cc1 1P003AMF [0,0,0,0,1,0|2,0,0]=3 1318 B6R1.2 Nc1c[nH]nc1 1P002VTR [0,0,0,0,1,0|3,0,0]=4 1319 B6R1.2 Nc1c[nH]nc1 1P0074MC [0,0,0,0,1,0|3,0,0]=4 1320 B6R1.2 Nc1c[nH]nc1 1P0092UA [0,0,0,0,1,0|3,0,0]=4 1321 B6R1.2 Nc1ccn[nH]1 1P00I0ST [0,0,0,0,1,0|3,0,0]=4 1322 B6R1.2 Nc1ccno1 1P001ES2 [0,0,0,0,1,0|3,0,0]=4 1323 B6R1.2 Nc1ccns1 1P003AW8 [0,0,0,0,1,0|3,0,0]=4 1324 B6R1.2 Nc1ccon1 1P0020K7 [0,0,0,0,1,0|3,0,0]=4 1325 B6R1.2 Nc1cnc[nH]1 1P000S6U [0,0,0,0,1,0|3,0,0]=4 1326 B6R1.2 Nc1cncs1 1P0025NE [0,0,0,0,1,0|3,0,0]=4 1327 B6R1.2 Nc1cncs1 1P0034NP [0,0,0,0,1,0|3,0,0]=4 1328 B6R1.2 Nc1conc1 1P008RI0 [0,0,0,0,1,0|3,0,0]=4 1329 B6R1.2 Nc1conc1 1P008U89 [0,0,0,0,1,0|3,0,0]=4 1330 B6R1.2 Nc1cscc1 1P00BFOP [0,0,0,0,1,0|2,0,0]=3 1331 B6R1.2 Nc1cscn1 1P0025NF [0,0,0,0,1,0|3,0,0]=4 1332 B6R1.2 Nc1csnc1 1P0037IR [0,0,0,0,1,0|3,0,0]=4 1333 B6R1.2 Nc1csnc1 1P00EIUC [0,0,0,0,1,0|3,0,0]=4 1334 B6R1.2 Nc1csnc1 1P01B2JY [0,0,0,0,1,0|3,0,0]=4 1335 B6R1.2 Nc1nc[nH]c1 1P0039YW [0,0,0,0,1,0|3,0,0]=4 1336 B6R1.2 Nc1ncc[nH]1 1P001KWS [0,0,0,0,1,0|3,0,0]=4 1337 B6R1.2 Nc1ncc[nH]1 1P00338E [0,0,0,0,1,0|3,0,0]=4 1338 B6R1.2 Nc1ncco1 1P0033L1 [0,0,0,0,1,0|3,0,0]=4 1339 B6R1.2 Nc1nccs1 1P00IBBT [0,0,0,0,1,0|3,0,0]=4 1340 B6R1.2 Nc1scnc1 1P01C520 [0,0,0,0,1,0|3,0,0]=4 1341 B6R1.2 Nn1cccc1 1P00G2U0 [0,0,0,0,1,0|2,0,0]=3 1342 B6R1.2 Nn1cccn1 1P00CL92 [0,0,0,0,1,0|3,0,0]=4 1343 B6R1.2 Nn1cncc1 1P003959 [0,0,0,0,1,0|3,0,0]=4 1344 B6R1.2 Nn1cncc1 1P0039HI [0,0,0,0,1,0|3,0,0]=4 1345 B6R1.2 O=c1[nH]cc[nH]1 1P003E0I [0,0,0,0,1,0|2,0,1]=4 1346 B6R1.2 O=c1cc[nH][nH]1 1P00134W [0,0,0,0,1,0|2,0,1]=4 1347 B6R1.2 O=c1cco[nH]1 1P00ED6J [0,0,0,0,1,0|2,0,1]=4 1348 B6R1.2 O=c1ccs[nH]1 1P0001YJ [0,0,0,0,1,0|2,0,1]=4 1349 B6R1.2 O=c1occ[nH]1 1P002UML [0,0,0,0,1,0|2,0,1]=4 1350 B6R1.2 O=c1occo1 1P003VS7 [0,0,0,0,1,0|2,0,1]=4 1351 B6R1.2 O=c1scc[nH]1 1P00F3MD [0,0,0,0,1,0|2,0,1]=4 1352 B6R1.2 OC1CC=CC1 1P00354I [0,0,0,0,1,0|0,0,3]=4 1353 B6R1.2 OC1CCC=C1 1P00C75L [0,0,0,0,1,0|0,0,3]=4 1354 B6R1.2 O[C@@H]1CCC=C1 1P028ADY [0,0,0,0,1,0|0,0,3]=4 1355 B6R1.2 O[C@H]1CCC=C1 1P01GV1K [0,0,0,0,1,0|0,0,3]=4 1356 B6R1.2 Oc1c[nH]cn1 1P0063WX [0,0,0,0,1,0|2,0,0]=3 1357 B6R1.2 Oc1c[nH]nc1 1P0034J7 [0,0,0,0,1,0|2,0,0]=3 1358 B6R1.2 Oc1c[nH]nc1 1P00J2QO [0,0,0,0,1,0|2,0,0]=3 1359 B6R1.2 Oc1c[nH]nn1 1P00848B [0,0,0,0,1,0|3,0,0]=4 1360 B6R1.2 Oc1cc[nH]n1 1P00EIV8 [0,0,0,0,1,0|2,0,0]=3 1361 B6R1.2 Oc1cccs1 1P007WJZ [0,0,0,0,1,0|1,0,0]=2 1362 B6R1.2 Oc1ccn[nH]1 1P00EF5X [0,0,0,0,1,0|2,0,0]=3 1363 B6R1.2 Oc1cnsn1 1P00F041 [0,0,0,0,1,0|3,0,0]=4 1364 B6R1.2 Oc1conc1 1P00G9VS [0,0,0,0,1,0|2,0,0]=3 1365 B6R1.2 Oc1cscc1 1P007DIM [0,0,0,0,1,0|1,0,0]=2 1366 B6R1.2 Oc1nccs1 1P00G7GQ [0,0,0,0,1,0|2,0,0]=3 1367 B6R1.2 Oc1ncn[nH]1 1P0017LF [0,0,0,0,1,0|3,0,0]=4 1368 B6R1.2 On1cccn1 1P0056CG [0,0,0,0,1,0|2,0,0]=3 1369 B6R1.2 S=c1[nH]cc[nH]1 1P003BPF [0,0,0,0,1,0|2,1,0]=4 1370 B6R1.2 S=c1ccss1 1P01E558 [0,0,0,0,1,0|2,1,0]=4 1371 B6R1.2 S=c1scc[nH]1 1P00E939 [0,0,0,0,1,0|2,1,0]=4 1372 B6R1.2 S=c1sccs1 1P003BGZ [0,0,0,0,1,0|2,1,0]=4 1373 B6R1.2 Sc1c[nH]nc1 1P0221KR [0,0,0,0,1,0|2,1,0]=4 1374 B6R1.2 Sc1cc[nH]n1 1P028LHX [0,0,0,0,1,0|2,1,0]=4 1375 B6R1.2 Sc1cccs1 1P003IEZ [0,0,0,0,1,0|1,1,0]=3 1376 B6R1.2 Sc1cscc1 1P00589C [0,0,0,0,1,0|1,1,0]=3 1377 B6R1.2 Sc1nccs1 1P00IDP6 [0,0,0,0,1,0|2,1,0]=4 1378 B6R1.2 [Fe]C1=CC=CC1 1P003PMR [0,0,0,0,1,0|1,0,1]=3 1379 B6R1.2 [Li]C1C=CC=C1 1P001XS4 [0,0,0,0,1,0|1,0,1]=3 1380 B6R1.2 [Mn]C1=CC=CC1 1P003PMS [0,0,0,0,1,0|1,0,1]=3 1381 B6R1.2 [Tl]C1=CC=CC1 1P00C19M [0,0,0,0,1,0|1,0,1]=3 1382 B8R1.22 O=C1C=CCCC=C1 1P01DYXN [0,0,0,0,0,1|0,0,2]=3 1383 B8R1.22 O=c1cccccc1 1P003VPZ [0,0,0,0,0,1|0,0,1]=2 1384 B5R0.1 C\C=C\C(=O)O 1P00353L [1,0,1,0,0,0|1,0,1]=4 1385 B5R0.1 OC(=O)C=C=C 1P028O5X [1,0,1,0,0,0|1,0,1]=4 1386 B5R0.1 OC(=O)CC=C 1P00369B [1,0,1,0,0,0|1,0,1]=4 1387 B5R0.1 OC(=O)\C=C/Br 1P001VXS [1,0,1,0,0,0|2,0,0]=4 1388 B5R0.1 OC(=O)\C=C/Cl 1P001VXR [1,0,1,0,0,0|2,0,0]=4 1389 B5R0.1 OC(=O)\C=C/I 1P00E99X [1,0,1,0,0,0|2,0,0]=4 1390 B5R0.1 OC(=O)\C=C\Br 1P003CH9 [1,0,1,0,0,0|2,0,0]=4 1391 B5R0.1 OC(=O)\C=C\I 1P003CHA [1,0,1,0,0,0|2,0,0]=4 1392 B5R0.2 C=CCCC=C 1P003E7G [1,0,1,0,0,0|0,0,2]=4 1393 B5R0.2 C=CCCC=C 1P003P92 [1,0,1,0,0,0|0,0,2]=4 1394 B5R0.2 NC\C=C\C=C 1P01FIJ9 [1,0,1,0,0,0|1,0,1]=4 1395 B5R0.3 C=CC(C=C)O 1P0060YF [1,0,1,0,0,0|0,0,1]=3 1396 B7R0.2 C\C(=C\C(=O)O)\C=C 1P01EMNE [0,1,1,0,0,0|2,0,0]=4 1397 B7R0.3 C=CCCC(C=C)O 1P028I4D [0,1,1,0,0,0|0,0,2]=4 1398 B7R0.3 C=CCOC(=O)C=C 1P003O68 [0,1,1,0,0,0|0,0,2]=4 1399 B7R0.5 C=COC(=O)C(=C)C 1P003VRS [0,1,1,0,0,0|1,0,1]=4 1400 B7R0.5 C\C(=C/C=C)\C(=O)O 1P028VMJ [0,1,1,0,0,0|2,0,0]=4 1401 B7R0.7 C=CCC(CC=C)O 1P002X5M [0,1,1,0,0,0|0,0,2]=4 1402 B7R0.7 C=COC(=O)C=CC 1P001LJB [0,1,1,0,0,0|0,0,2]=4 1403 B7R0.10 C=CC(C(C=C)O)O 1P003BHE [0,1,1,0,0,0|0,0,2]=4 1404 B7R0.4 CC(=O)OC=CC=C 1P001NUC [0,1,1,0,0,0|0,0,2]=4 1405 B7R0.4 C\C=C/C=C/C(=O)O 1P0030BP [0,1,1,0,0,0|1,0,0]=3 1406 B7R0.4 C\C=C\C=C\C(=O)C 1P003GC2 [0,1,1,0,0,0|0,0,2]=4 1407 B7R0.4 C\C=C\C=C\C(=O)Cl 1P002SB9 [0,1,1,0,0,0|1,0,1]=4 1408 B7R0.4 C\C=C\C=C\C(=O)O 1P003UVD [0,1,1,0,0,0|1,0,0]=3 1409 B7R0.4 C\C=C\C=C\C(=O)[O-] 1P002PCF [0,1,1,0,0,0|1,0,1]=4 1410 B7R0.4 C\C=C\C=C\C(=O)[O-] 1P003UUR [0,1,1,0,0,0|1,0,1]=4 1411 B7R0.4 C\C=C\C=C\C(=O)[O-] 1P005GWB [0,1,1,0,0,0|1,0,1]=4 1412 B7R0.4 OC(=O)C\C=C\C=C 1P01BSMX [0,1,1,0,0,0|1,0,0]=3 1413 B7R0.6 CC(=O)C=CC(=O)O 1P003414 [0,1,1,0,0,0|1,0,1]=4 1414 B7R0.6 NC(=O)\C=C/C(=O)O 1P0035KY [0,1,1,0,0,0|2,0,0]=4 1415 B7R0.6 OC(=O)\C=C/C(=O)O 1P0039G6 [0,1,1,0,0,0|2,0,0]=4 1416 B7R0.6 OC(=O)\C=C/C(=O)O 1P003RW7 [0,1,1,0,0,0|2,0,0]=4 1417 B7R0.6 OC(=O)\C=C/C(=O)O 1P00FASS [0,1,1,0,0,0|2,0,0]=4 1418 B7R0.6 OC(=O)\C=C\C(=O)O 1P001G63 [0,1,1,0,0,0|2,0,0]=4 1419 B7R0.6 OC(=O)\C=C\C(=O)O 1P002JTO [0,1,1,0,0,0|2,0,0]=4 1420 B7R0.6 OC(=O)\C=C\C(=O)O 1P0035F6 [0,1,1,0,0,0|2,0,0]=4 1421 B7R0.6 OC(=O)\C=C\C(=O)O 1P00BCCL [0,1,1,0,0,0|2,0,0]=4 1422 B7R0.6 OC(=O)\C=C\C(=O)O 1P00G4L9 [0,1,1,0,0,0|2,0,0]=4 1423 B7R0.6 OC(=O)\C=C\C(=O)O 1P00IM4G [0,1,1,0,0,0|2,0,0]=4 1424 B7R0.6 [O-]C(=O)\C=C/C(=O)O 1P0032HL [0,1,1,0,0,0|2,0,0]=4 1425 B7R0.6 [O-]C(=O)\C=C/C(=O)O 1P00FASU [0,1,1,0,0,0|2,0,0]=4 1426 B7R0.6 [O-]C(=O)\C=C\C(=O)O 1P003UTI [0,1,1,0,0,0|2,0,0]=4 1427 B7R0.1 CCC=CC=CC=O 1P00E9KG [0,1,1,0,0,0|0,0,2]=4 1428 B7R0.1 CC\C=C\C=C\C=O 1P003VBB [0,1,1,0,0,0|0,0,2]=4 1429 B7R0.1 OC\C=C\C=C\CO 1P01FIG3 [0,1,1,0,0,0|0,0,2]=4 1430 B7R1.1 BrCc1cccs1 1P003A54 [0,1,0,0,1,0|2,0,0]=4 1431 B7R1.1 BrCc1cocc1 1P00ED8I [0,1,0,0,1,0|2,0,0]=4 1432 B7R1.1 C#C[C-]1C=CC=C1 1P000X4W [0,1,0,0,1,0|1,0,1]=4 1433 B7R1.1 C#Cc1cccs1 1P0038AO [0,1,0,0,1,0|2,0,0]=4 1434 B7R1.1 C#Cc1cocc1 1P00DGD0 [0,1,0,0,1,0|2,0,0]=4 1435 B7R1.1 C#Cc1cscc1 1P003JVK [0,1,0,0,1,0|2,0,0]=4 1436 B7R1.1 C=C[C-]1C=CC=C1 1P000X4U [0,1,0,0,1,0|1,0,1]=4 1437 B7R1.1 C=Cc1ccco1 1P001LLL [0,1,0,0,1,0|2,0,0]=4 1438 B7R1.1 C=Cc1cccs1 1P002FXU [0,1,0,0,1,0|2,0,0]=4 1439 B7R1.1 C=Cc1cscc1 1P0012UB [0,1,0,0,1,0|2,0,0]=4 1440 B7R1.1 C=Cn1cccc1 1P0080L9 [0,1,0,0,1,0|2,0,0]=4 1441 B7R1.1 CC[C-]1C=CC=C1 1P000XD7 [0,1,0,0,1,0|1,0,1]=4 1442 B7R1.1 CC[C-]1C=CC=C1 1P000XD9 [0,1,0,0,1,0|1,0,1]=4 1443 B7R1.1 CCc1c[nH]cc1 1P00APDI [0,1,0,0,1,0|2,0,0]=4 1444 B7R1.1 CCc1ccc[nH]1 1P0033RK [0,1,0,0,1,0|2,0,0]=4 1445 B7R1.1 CCc1ccco1 1P003HOB [0,1,0,0,1,0|2,0,0]=4 1446 B7R1.1 CCc1cccs1 1P003HOV [0,1,0,0,1,0|2,0,0]=4 1447 B7R1.1 CCc1cscc1 1P0027I2 [0,1,0,0,1,0|2,0,0]=4 1448 B7R1.1 CCn1cccc1 1P00EBJW [0,1,0,0,1,0|2,0,0]=4 1449 B7R1.1 CNc1cscc1 1P01B2HP [0,1,0,0,1,0|2,0,0]=4 1450 B7R1.1 CNn1cccc1 1P02902L [0,1,0,0,1,0|2,0,0]=4 1451 B7R1.1 COc1c[nH]cn1 1P0048ET [0,1,0,0,1,0|2,0,0]=4 1452 B7R1.1 COc1c[nH]nc1 1P001LPP [0,1,0,0,1,0|2,0,0]=4 1453 B7R1.1 COc1c[nH]nc1 1P01B6QU [0,1,0,0,1,0|2,0,0]=4 1454 B7R1.1 COc1cc[nH]n1 1P00I4N8 [0,1,0,0,1,0|2,0,0]=4 1455 B7R1.1 COc1cccs1 1P001YI0 [0,1,0,0,1,0|1,0,0]=3 1456 B7R1.1 COc1ccsn1 1P01BDQO [0,1,0,0,1,0|2,0,0]=4 1457 B7R1.1 COc1cscc1 1P0021M3 [0,1,0,0,1,0|1,0,0]=3 1458 B7R1.1 COc1nccs1 1P001DHP [0,1,0,0,1,0|2,0,0]=4 1459 B7R1.1 CSc1ccc[nH]1 1P01ID3L [0,1,0,0,1,0|1,1,0]=4 1460 B7R1.1 CSc1ccco1 1P000WBV [0,1,0,0,1,0|1,1,0]=4 1461 B7R1.1 CSc1cccs1 1P0033CD [0,1,0,0,1,0|1,1,0]=4 1462 B7R1.1 CSc1cscc1 1P002JFX [0,1,0,0,1,0|1,1,0]=4 1463 B7R1.1 ClCc1cccs1 1P005XFR [0,1,0,0,1,0|2,0,0]=4 1464 B7R1.1 ClCc1cscc1 1P00C23C [0,1,0,0,1,0|2,0,0]=4 1465 B7R1.1 N#Cc1c[nH]cc1 1P006ADD [0,1,0,0,1,0|2,0,0]=4 1466 B7R1.1 N#Cc1ccco1 1P003BOZ [0,1,0,0,1,0|2,0,0]=4 1467 B7R1.1 N#Cc1cccs1 1P0001Y6 [0,1,0,0,1,0|2,0,0]=4 1468 B7R1.1 N#Cc1cocc1 1P003JYX [0,1,0,0,1,0|2,0,0]=4 1469 B7R1.1 N#Cc1cscc1 1P001V4K [0,1,0,0,1,0|2,0,0]=4 1470 B7R1.1 NCc1c[nH]cc1 1P008B5V [0,1,0,0,1,0|2,0,0]=4 1471 B7R1.1 NCc1ccc[nH]1 1P0033BP [0,1,0,0,1,0|2,0,0]=4 1472 B7R1.1 NCc1ccc[nH]1 1P006SOC [0,1,0,0,1,0|2,0,0]=4 1473 B7R1.1 NCc1ccco1 1P00IBDE [0,1,0,0,1,0|2,0,0]=4 1474 B7R1.1 NCc1cccs1 1P002V4I [0,1,0,0,1,0|2,0,0]=4 1475 B7R1.1 NCc1cocc1 1P0038AA [0,1,0,0,1,0|2,0,0]=4 1476 B7R1.1 NCc1cocc1 1P009BQA [0,1,0,0,1,0|2,0,0]=4 1477 B7R1.1 NCc1cscc1 1P000GRT [0,1,0,0,1,0|2,0,0]=4 1478 B7R1.1 NCc1cscc1 1P002V4H [0,1,0,0,1,0|2,0,0]=4 1479 B7R1.1 O=C[C-]1C=CC=C1 1P000X4V [0,1,0,0,1,0|0,0,2]=4 1480 B7R1.1 O=Cc1c[nH]cc1 1P00360O [0,1,0,0,1,0|1,0,1]=4 1481 B7R1.1 O=Cc1ccc[nH]1 1P0001Y8 [0,1,0,0,1,0|1,0,1]=4 1482 B7R1.1 O=Cc1ccc[se]1 1P002QYK [0,1,0,0,1,0|1,0,1]=4 1483 B7R1.1 O=Cc1ccco1 1P0033SN [0,1,0,0,1,0|1,0,1]=4 1484 B7R1.1 O=Cc1cccs1 1P0039RD [0,1,0,0,1,0|1,0,1]=4 1485 B7R1.1 O=Cc1cocc1 1P003JYV [0,1,0,0,1,0|1,0,1]=4 1486 B7R1.1 O=Cc1cscc1 1P00348X [0,1,0,0,1,0|1,0,1]=4 1487 B7R1.1 OC[C-]1C=CC=C1 1P000XDA [0,1,0,0,1,0|0,0,1]=3 1488 B7R1.1 OC[C-]1C=CC=C1 1P000ZBP [0,1,0,0,1,0|0,0,1]=3 1489 B7R1.1 OCc1c[nH]cc1 1P00FVQG [0,1,0,0,1,0|1,0,0]=3 1490 B7R1.1 OCc1c[nH]cn1 1P0038JP [0,1,0,0,1,0|2,0,0]=4 1491 B7R1.1 OCc1c[nH]cn1 1P0056GC [0,1,0,0,1,0|2,0,0]=4 1492 B7R1.1 OCc1c[nH]nc1 1P002RF9 [0,1,0,0,1,0|2,0,0]=4 1493 B7R1.1 OCc1cc[nH]n1 1P002O87 [0,1,0,0,1,0|2,0,0]=4 1494 B7R1.1 OCc1ccco1 1P003R60 [0,1,0,0,1,0|1,0,0]=3 1495 B7R1.1 OCc1cccs1 1P003BQJ [0,1,0,0,1,0|1,0,0]=3 1496 B7R1.1 OCc1ccno1 1P006AUF [0,1,0,0,1,0|2,0,0]=4 1497 B7R1.1 OCc1ccns1 1P00ACUC [0,1,0,0,1,0|2,0,0]=4 1498 B7R1.1 OCc1ccon1 1P0036QI [0,1,0,0,1,0|2,0,0]=4 1499 B7R1.1 OCc1ccsn1 1P01V5TO [0,1,0,0,1,0|2,0,0]=4 1500 B7R1.1 OCc1cnco1 1P000X8T [0,1,0,0,1,0|2,0,0]=4 1501 B7R1.1 OCc1cncs1 1P0034R1 [0,1,0,0,1,0|2,0,0]=4 1502 B7R1.1 OCc1cocc1 1P0072QO [0,1,0,0,1,0|1,0,0]=3 1503 B7R1.1 OCc1cocn1 1P001ON1 [0,1,0,0,1,0|2,0,0]=4 1504 B7R1.1 OCc1conc1 1P0038JR [0,1,0,0,1,0|2,0,0]=4 1505 B7R1.1 OCc1cscc1 1P003KDJ [0,1,0,0,1,0|1,0,0]=3 1506 B7R1.1 OCc1cscn1 1P003AEU [0,1,0,0,1,0|2,0,0]=4 1507 B7R1.1 OCc1csnc1 1P00BAEG [0,1,0,0,1,0|2,0,0]=4 1508 B7R1.1 OCc1ncc[nH]1 1P000CAH [0,1,0,0,1,0|2,0,0]=4 1509 B7R1.1 OCc1ncc[nH]1 1P00BYAS [0,1,0,0,1,0|2,0,0]=4 1510 B7R1.1 OCc1ncco1 1P000V32 [0,1,0,0,1,0|2,0,0]=4 1511 B7R1.1 OCc1nccs1 1P001DHQ [0,1,0,0,1,0|2,0,0]=4 1512 B7R1.1 OCn1cccn1 1P007CY4 [0,1,0,0,1,0|2,0,0]=4 1513 B7R1.1 SCc1ccc[nH]1 1P01DX9D [0,1,0,0,1,0|1,1,0]=4 1514 B7R1.1 SCc1ccco1 1P003R61 [0,1,0,0,1,0|1,1,0]=4 1515 B7R1.1 SCc1cccs1 1P003IEO [0,1,0,0,1,0|1,1,0]=4 1516 B7R1.1 SCc1cocc1 1P01Q6AT [0,1,0,0,1,0|1,1,0]=4 1517 B7R1.1 SCc1cscc1 1P001V2D [0,1,0,0,1,0|1,1,0]=4 1518 B7R1.2 Brc1ccc([se]1)Br 1P0021HJ [0,1,0,0,1,0|2,0,0]=4 1519 B7R1.2 Brc1ccc(o1)Br 1P0033GQ [0,1,0,0,1,0|2,0,0]=4 1520 B7R1.2 Brc1ccc(s1)Br 1P003GDK [0,1,0,0,1,0|2,0,0]=4 1521 B7R1.2 Brc1ccc(s1)I 1P002Z2N [0,1,0,0,1,0|2,0,0]=4 1522 B7R1.2 Brc1csc(c1)C 1P002YT6 [0,1,0,0,1,0|2,0,0]=4 1523 B7R1.2 Brc1csc(c1)Cl 1P0037TQ [0,1,0,0,1,0|2,0,0]=4 1524 B7R1.2 Brc1csc(c1)I 1P00ICX3 [0,1,0,0,1,0|2,0,0]=4 1525 B7R1.2 Brc1csc(n1)O 1P00953P [0,1,0,0,1,0|2,0,0]=4 1526 B7R1.2 Brc1scc(c1)Br 1P0033FJ [0,1,0,0,1,0|2,0,0]=4 1527 B7R1.2 Cc1[nH]cc(c1)C 1P0036EO [0,1,0,0,1,0|2,0,0]=4 1528 B7R1.2 Cc1ccc([nH]1)C 1P0033H9 [0,1,0,0,1,0|2,0,0]=4 1529 B7R1.2 Cc1ccc(o1)Br 1P000LMO [0,1,0,0,1,0|2,0,0]=4 1530 B7R1.2 Cc1ccc(o1)C 1P00IBHV [0,1,0,0,1,0|2,0,0]=4 1531 B7R1.2 Cc1ccc(s1)Br 1P003H6V [0,1,0,0,1,0|2,0,0]=4 1532 B7R1.2 Cc1ccc(s1)C 1P0037FV [0,1,0,0,1,0|2,0,0]=4 1533 B7R1.2 Cc1ccc(s1)Cl 1P003BNY [0,1,0,0,1,0|2,0,0]=4 1534 B7R1.2 Cc1ccc(s1)I 1P001VNL [0,1,0,0,1,0|2,0,0]=4 1535 B7R1.2 Cc1ccc(s1)O 1P01DWX2 [0,1,0,0,1,0|1,0,0]=3 1536 B7R1.2 Cc1ccc(s1)S 1P00D0KV [0,1,0,0,1,0|1,1,0]=4 1537 B7R1.2 Cc1ccn(c1)C 1P01BKQP [0,1,0,0,1,0|2,0,0]=4 1538 B7R1.2 Cc1ccn(c1)N 1P024RJW [0,1,0,0,1,0|2,0,0]=4 1539 B7R1.2 Cc1csc(c1)Br 1P00DIEK [0,1,0,0,1,0|2,0,0]=4 1540 B7R1.2 Cc1csc(c1)N 1P001FKH [0,1,0,0,1,0|2,0,0]=4 1541 B7R1.2 Cc1csc(c1)N 1P00H1HI [0,1,0,0,1,0|2,0,0]=4 1542 B7R1.2 Cc1csc(c1)S 1P01BJTY [0,1,0,0,1,0|1,1,0]=4 1543 B7R1.2 Cc1n[nH]c(c1)O 1P0011IB [0,1,0,0,1,0|2,0,0]=4 1544 B7R1.2 Cc1noc(c1)O 1P019SLV [0,1,0,0,1,0|2,0,0]=4 1545 B7R1.2 Cc1occ(c1)C 1P00CVZ8 [0,1,0,0,1,0|2,0,0]=4 1546 B7R1.2 Cc1scc(c1)C 1P00E9VH [0,1,0,0,1,0|2,0,0]=4 1547 B7R1.2 Clc1ccc(s1)Br 1P002WQS [0,1,0,0,1,0|2,0,0]=4 1548 B7R1.2 Clc1ccc(s1)Cl 1P003GEI [0,1,0,0,1,0|2,0,0]=4 1549 B7R1.2 Clc1ccc(s1)I 1P002WOU [0,1,0,0,1,0|2,0,0]=4 1550 B7R1.2 Clc1csc(c1)Br 1P00I6LU [0,1,0,0,1,0|2,0,0]=4 1551 B7R1.2 Clc1csc(c1)I 1P028AXN [0,1,0,0,1,0|2,0,0]=4 1552 B7R1.2 Clc1scc(c1)Cl 1P027EOK [0,1,0,0,1,0|2,0,0]=4 1553 B7R1.2 Cn1cc(cn1)O 1P003AKQ [0,1,0,0,1,0|2,0,0]=4 1554 B7R1.2 Cn1cc(cn1)O 1P01AFQM [0,1,0,0,1,0|2,0,0]=4 1555 B7R1.2 Cn1ccc(c1)N 1P000JBD [0,1,0,0,1,0|2,0,0]=4 1556 B7R1.2 Fc1ccc(s1)Br 1P00CRCX [0,1,0,0,1,0|2,0,0]=4 1557 B7R1.2 Fc1ccc(s1)I 1P01APFB [0,1,0,0,1,0|2,0,0]=4 1558 B7R1.2 Fc1csc(c1)Br 1P00CA59 [0,1,0,0,1,0|2,0,0]=4 1559 B7R1.2 Ic1ccc(s1)I 1P003GFD [0,1,0,0,1,0|2,0,0]=4 1560 B7R1.2 Ic1csc(c1)C 1P001VNM [0,1,0,0,1,0|2,0,0]=4 1561 B7R1.2 Ic1csc(c1)Cl 1P00NK34 [0,1,0,0,1,0|2,0,0]=4 1562 B7R1.2 Nc1csc(c1)Br 1P01LOUQ [0,1,0,0,1,0|2,0,0]=4 1563 B7R1.2 Nc1csc(c1)C 1P00BGJR [0,1,0,0,1,0|2,0,0]=4 1564 B7R1.2 Nc1csc(c1)Cl 1P001DBG [0,1,0,0,1,0|2,0,0]=4 1565 B7R1.2 Nc1n[nH]c(c1)O 1P003418 [0,1,0,0,1,0|2,0,0]=4 1566 B7R1.2 O=C1C=CC(=O)C1 1P003LQK [0,1,0,0,1,0|0,0,2]=4 1567 B7R1.2 O=C1C=CC(=O)N1 1P0035L0 [0,1,0,0,1,0|1,0,1]=4 1568 B7R1.2 O=C1C=CC(=O)O1 1P0035KZ [0,1,0,0,1,0|1,0,1]=4 1569 B7R1.2 O=C1C=CC(=O)O1 1P01G8TR [0,1,0,0,1,0|1,0,1]=4 1570 B7R1.2 OC1=CC(=O)CC1 1P00EEEL [0,1,0,0,1,0|0,0,2]=4 1571 B7R1.2 OC1=CC(=O)NC1 1P00DCWO [0,1,0,0,1,0|1,0,1]=4 1572 B7R1.2 OC1=CC(=O)OC1 1P0034IY [0,1,0,0,1,0|1,0,1]=4 1573 B7R1.2 OC1C=CC(=O)C1 1P00EJSF [0,1,0,0,1,0|0,0,2]=4 1574 B7R1.2 OC1C=CC(=O)O1 1P001CQE [0,1,0,0,1,0|1,0,1]=4 1575 B7R1.2 O[C@H]1C=CC(=O)C1 1P00E9HE [0,1,0,0,1,0|0,0,2]=4 1576 B7R1.2 Oc1c[nH]c(n1)C 1P0292BX [0,1,0,0,1,0|2,0,0]=4 1577 B7R1.2 Oc1ccc(s1)Br 1P000WET [0,1,0,0,1,0|1,0,0]=3 1578 B7R1.2 Oc1csc(n1)N 1P0068D4 [0,1,0,0,1,0|2,0,0]=4 1579 B7R1.2 Oc1n[nH]c(c1)C 1P001L0T [0,1,0,0,1,0|2,0,0]=4 1580 B7R1.2 Oc1n[nH]c(c1)N 1P01KKIY [0,1,0,0,1,0|2,0,0]=4 1581 B7R1.2 On1cc(cn1)I 1P004HFY [0,1,0,0,1,0|2,0,0]=4 1582 B7R1.2 Sc1csc(c1)C 1P01Q2WP [0,1,0,0,1,0|1,1,0]=4 1583 B7R1.4 Brc1ccoc1C 1P004W05 [0,1,0,0,1,0|2,0,0]=4 1584 B7R1.4 Brc1ccoc1I 1P01BK7D [0,1,0,0,1,0|2,0,0]=4 1585 B7R1.4 Brc1ccsc1C 1P00307X [0,1,0,0,1,0|2,0,0]=4 1586 B7R1.4 Brc1ccsc1Cl 1P003JGW [0,1,0,0,1,0|2,0,0]=4 1587 B7R1.4 Brc1ccsc1I 1P00EIUZ [0,1,0,0,1,0|2,0,0]=4 1588 B7R1.4 Brc1cocc1Br 1P003IWC [0,1,0,0,1,0|2,0,0]=4 1589 B7R1.4 Brc1conc1O 1P00CZMB [0,1,0,0,1,0|2,0,0]=4 1590 B7R1.4 Brc1cscc1Br 1P0033YX [0,1,0,0,1,0|2,0,0]=4 1591 B7R1.4 Brc1cscc1C 1P00307Z [0,1,0,0,1,0|2,0,0]=4 1592 B7R1.4 Brc1cscc1Cl 1P00I7MM [0,1,0,0,1,0|2,0,0]=4 1593 B7R1.4 Brc1cscc1N 1P00I28H [0,1,0,0,1,0|2,0,0]=4 1594 B7R1.4 Brc1csnc1O 1P028ND6 [0,1,0,0,1,0|2,0,0]=4 1595 B7R1.4 Brc1sccc1Br 1P0033E9 [0,1,0,0,1,0|2,0,0]=4 1596 B7R1.4 Cc1[nH]ccc1C 1P0037Y2 [0,1,0,0,1,0|2,0,0]=4 1597 B7R1.4 Cc1c[nH]cc1C 1P0036WU [0,1,0,0,1,0|2,0,0]=4 1598 B7R1.4 Cc1c[nH]nc1O 1P00J2YC [0,1,0,0,1,0|2,0,0]=4 1599 B7R1.4 Cc1ccsc1Br 1P003H3U [0,1,0,0,1,0|2,0,0]=4 1600 B7R1.4 Cc1ccsc1Cl 1P003HCL [0,1,0,0,1,0|2,0,0]=4 1601 B7R1.4 Cc1ccsc1I 1P001VNK [0,1,0,0,1,0|2,0,0]=4 1602 B7R1.4 Cc1ccsc1S 1P01BKP7 [0,1,0,0,1,0|1,1,0]=4 1603 B7R1.4 Cc1cocc1C 1P002K4Z [0,1,0,0,1,0|2,0,0]=4 1604 B7R1.4 Cc1cscc1C 1P00E9CW [0,1,0,0,1,0|2,0,0]=4 1605 B7R1.4 Cc1occc1C 1P001LXH [0,1,0,0,1,0|2,0,0]=4 1606 B7R1.4 Clc1ccsc1Br 1P005RPO [0,1,0,0,1,0|2,0,0]=4 1607 B7R1.4 Clc1ccsc1C 1P007WBT [0,1,0,0,1,0|2,0,0]=4 1608 B7R1.4 Clc1ccsc1I 1P01BK8D [0,1,0,0,1,0|2,0,0]=4 1609 B7R1.4 Clc1cscc1N 1P00E9G7 [0,1,0,0,1,0|2,0,0]=4 1610 B7R1.4 Clc1cscc1N 1P01KLJO [0,1,0,0,1,0|2,0,0]=4 1611 B7R1.4 Clc1sccc1Cl 1P003FYK [0,1,0,0,1,0|2,0,0]=4 1612 B7R1.4 Cn1nccc1O 1P003AIK [0,1,0,0,1,0|2,0,0]=4 1613 B7R1.4 Cn1nccc1O 1P003EXW [0,1,0,0,1,0|2,0,0]=4 1614 B7R1.4 Fc1c[nH]cc1F 1P000QNK [0,1,0,0,1,0|2,0,0]=4 1615 B7R1.4 Fc1ccsc1Cl 1P028ZDK [0,1,0,0,1,0|2,0,0]=4 1616 B7R1.4 Fc1ccsc1I 1P027VPP [0,1,0,0,1,0|2,0,0]=4 1617 B7R1.4 Ic1ccsc1Br 1P00BGJV [0,1,0,0,1,0|2,0,0]=4 1618 B7R1.4 Ic1cocc1C 1P01ANWT [0,1,0,0,1,0|2,0,0]=4 1619 B7R1.4 Ic1cscc1Br 1P005B28 [0,1,0,0,1,0|2,0,0]=4 1620 B7R1.4 Ic1sccc1I 1P002GL1 [0,1,0,0,1,0|2,0,0]=4 1621 B7R1.4 Nc1ccsc1Br 1P00IKUH [0,1,0,0,1,0|2,0,0]=4 1622 B7R1.4 Nc1ccsc1C 1P01BRMN [0,1,0,0,1,0|2,0,0]=4 1623 B7R1.4 Nc1ccsc1Cl 1P01AGQV [0,1,0,0,1,0|2,0,0]=4 1624 B7R1.4 Nc1cscc1C 1P00CCYZ [0,1,0,0,1,0|2,0,0]=4 1625 B7R1.4 Nc1cscc1N 1P003V9A [0,1,0,0,1,0|2,0,0]=4 1626 B7R1.4 Nc1cscc1N 1P008MOQ [0,1,0,0,1,0|2,0,0]=4 1627 B7R1.4 Nn1cccc1C 1P028FJN [0,1,0,0,1,0|2,0,0]=4 1628 B7R1.4 O=C1CCC=C1O 1P0036LG [0,1,0,0,1,0|0,0,2]=4 1629 B7R1.4 Oc1cnoc1C 1P027UVL [0,1,0,0,1,0|2,0,0]=4 1630 B7R1.4 Sc1ccoc1C 1P002W7D [0,1,0,0,1,0|1,1,0]=4 1631 B9R1.5 Clc1cccccc1=O 1P00CA25 [0,1,0,0,0,1|0,0,1]=3 1632 B9R1.5 Fc1cccccc1=O 1P0284ZS [0,1,0,0,0,1|0,0,1]=3 1633 B9R1.5 Nc1cccccc1=O 1P00ELGF [0,1,0,0,0,1|0,0,1]=3 1634 B9R1.5 Oc1cccccc1=O 1P003AT6 [0,1,0,0,0,1|0,0,0]=2 1635 B9R1.89 N#CC1C=CC=CC=C1 1P003G30 [0,1,0,0,0,1|1,0,1]=4 1636 B9R1.1 BrCc1ccc(cc1)Br 1P0034EX [0,2,0,0,0,0|1,0,0]=3 1637 B9R1.1 BrCc1ccc(cc1)C 1P003M85 [0,2,0,0,0,0|1,0,0]=3 1638 B9R1.1 BrCc1ccc(cc1)Cl 1P0036O0 [0,2,0,0,0,0|1,0,0]=3 1639 B9R1.1 BrCc1ccc(cc1)F 1P0034I2 [0,2,0,0,0,0|1,0,0]=3 1640 B9R1.1 BrCc1ccc(cc1)I 1P001S36 [0,2,0,0,0,0|1,0,0]=3 1641 B9R1.1 BrCc1ccc(cc1)N 1P00ED7U [0,2,0,0,0,0|1,0,0]=3 1642 B9R1.1 BrCc1ccc(cn1)Br 1P001L4P [0,2,0,0,0,0|2,0,0]=4 1643 B9R1.1 BrCc1ccc(cn1)Br 1P00ARJA [0,2,0,0,0,0|2,0,0]=4 1644 B9R1.1 BrCc1ccc(cn1)C 1P01KL0I [0,2,0,0,0,0|2,0,0]=4 1645 B9R1.1 BrCc1ccc(cn1)Cl 1P001VGA [0,2,0,0,0,0|2,0,0]=4 1646 B9R1.1 BrCc1ccc(cn1)Cl 1P00EIVB [0,2,0,0,0,0|2,0,0]=4 1647 B9R1.1 BrCc1ccc(cn1)F 1P01BE31 [0,2,0,0,0,0|2,0,0]=4 1648 B9R1.1 BrCc1ccc(nc1)Br 1P0006NA [0,2,0,0,0,0|2,0,0]=4 1649 B9R1.1 BrCc1ccc(nc1)C 1P003AJ4 [0,2,0,0,0,0|2,0,0]=4 1650 B9R1.1 BrCc1ccc(nc1)Cl 1P0024PV [0,2,0,0,0,0|2,0,0]=4 1651 B9R1.1 BrCc1ccc(nc1)F 1P008U70 [0,2,0,0,0,0|2,0,0]=4 1652 B9R1.1 BrCc1ccc(nc1)F 1P01FTR4 [0,2,0,0,0,0|2,0,0]=4 1653 B9R1.1 BrCc1ccc(nc1)N 1P01B29T [0,2,0,0,0,0|2,0,0]=4 1654 B9R1.1 Brc1ccc(cc1)[N+]#N 1P003LG6 [0,2,0,0,0,0|1,0,0]=3 1655 B9R1.1 Brc1ccc(cc1)[N+]#[C-] 1P00BZ3W [0,2,0,0,0,0|1,0,0]=3 1656 B9R1.1 C#Cc1ccc(=O)[nH]c1 1P000PTL [0,2,0,0,0,0|1,0,1]=4 1657 B9R1.1 C#Cc1ccc(cc1)Br 1P0038WU [0,2,0,0,0,0|1,0,0]=3 1658 B9R1.1 C#Cc1ccc(cc1)C 1P003LTB [0,2,0,0,0,0|1,0,0]=3 1659 B9R1.1 C#Cc1ccc(cc1)F 1P0034I8 [0,2,0,0,0,0|1,0,0]=3 1660 B9R1.1 C#Cc1ccc(cc1)I 1P005J01 [0,2,0,0,0,0|1,0,0]=3 1661 B9R1.1 C#Cc1ccc(cc1)N 1P0034HG [0,2,0,0,0,0|1,0,0]=3 1662 B9R1.1 C#Cc1ccc(cc1)O 1P00BFTX [0,2,0,0,0,0|0,0,0]=2 1663 B9R1.1 C#Cc1ccc(cn1)Br 1P00HCND [0,2,0,0,0,0|2,0,0]=4 1664 B9R1.1 C#Cc1ccc(cn1)C 1P0030IR [0,2,0,0,0,0|2,0,0]=4 1665 B9R1.1 C#Cc1ccc(cn1)Cl 1P000PRV [0,2,0,0,0,0|2,0,0]=4 1666 B9R1.1 C#Cc1ccc(cn1)Cl 1P00IN3G [0,2,0,0,0,0|2,0,0]=4 1667 B9R1.1 C#Cc1ccc(cn1)F 1P004HS2 [0,2,0,0,0,0|2,0,0]=4 1668 B9R1.1 C#Cc1ccc(cn1)N 1P00A0YZ [0,2,0,0,0,0|2,0,0]=4 1669 B9R1.1 C#Cc1ccc(nc1)Br 1P00EFUK [0,2,0,0,0,0|2,0,0]=4 1670 B9R1.1 C#Cc1ccc(nc1)C 1P0092A5 [0,2,0,0,0,0|2,0,0]=4 1671 B9R1.1 C#Cc1ccc(nc1)C 1P00ARIA [0,2,0,0,0,0|2,0,0]=4 1672 B9R1.1 C#Cc1ccc(nc1)Cl 1P002T37 [0,2,0,0,0,0|2,0,0]=4 1673 B9R1.1 C#Cc1ccc(nc1)F 1P004L78 [0,2,0,0,0,0|2,0,0]=4 1674 B9R1.1 C#Cc1ccc(nc1)N 1P008K1E [0,2,0,0,0,0|2,0,0]=4 1675 B9R1.1 C=Cc1cc[n+](cc1)C 1P023Z9O [0,2,0,0,0,0|2,0,0]=4 1676 B9R1.1 C=Cc1ccc(cc1)Br 1P0029MX [0,2,0,0,0,0|1,0,0]=3 1677 B9R1.1 C=Cc1ccc(cc1)C 1P003M9D [0,2,0,0,0,0|1,0,0]=3 1678 B9R1.1 C=Cc1ccc(cc1)Cl 1P0038SY [0,2,0,0,0,0|1,0,0]=3 1679 B9R1.1 C=Cc1ccc(cc1)F 1P00I8EG [0,2,0,0,0,0|1,0,0]=3 1680 B9R1.1 C=Cc1ccc(cc1)I 1P002NYE [0,2,0,0,0,0|1,0,0]=3 1681 B9R1.1 C=Cc1ccc(cc1)N 1P0038QW [0,2,0,0,0,0|1,0,0]=3 1682 B9R1.1 C=Cc1ccc(cc1)O 1P002T1L [0,2,0,0,0,0|0,0,0]=2 1683 B9R1.1 C=Cc1ccc(cn1)Br 1P00C2U8 [0,2,0,0,0,0|2,0,0]=4 1684 B9R1.1 C=Cc1ccc(cn1)C 1P00BYO4 [0,2,0,0,0,0|2,0,0]=4 1685 B9R1.1 C=Cc1ccc(cn1)C 1P0201WE [0,2,0,0,0,0|2,0,0]=4 1686 B9R1.1 C=Cc1ccc(cn1)Cl 1P00CGW3 [0,2,0,0,0,0|2,0,0]=4 1687 B9R1.1 C=Cc1ccc(nc1)Br 1P01DLDS [0,2,0,0,0,0|2,0,0]=4 1688 B9R1.1 C=Cc1ccc(nc1)C 1P001CDY [0,2,0,0,0,0|2,0,0]=4 1689 B9R1.1 C=Cc1ccc(nc1)Cl 1P001Q28 [0,2,0,0,0,0|2,0,0]=4 1690 B9R1.1 C=Cc1ccc(nc1)Cl 1P028BUU [0,2,0,0,0,0|2,0,0]=4 1691 B9R1.1 C=Cc1ccc(nc1)F 1P0008U5 [0,2,0,0,0,0|2,0,0]=4 1692 B9R1.1 C=Cc1ccc(nc1)O 1P01DH08 [0,2,0,0,0,0|1,0,0]=3 1693 B9R1.1 CC1=CCC(=CC1)CO 1P01DU33 [0,2,0,0,0,0|0,0,2]=4 1694 B9R1.1 CC[n+]1ccc(cc1)C 1P0036F3 [0,2,0,0,0,0|2,0,0]=4 1695 B9R1.1 CCc1cc[n+](cc1)[O-] 1P003LT4 [0,2,0,0,0,0|1,0,1]=4 1696 B9R1.1 CCc1ccc(cc1)Br 1P001QP9 [0,2,0,0,0,0|1,0,0]=3 1697 B9R1.1 CCc1ccc(cc1)C 1P003LT6 [0,2,0,0,0,0|1,0,0]=3 1698 B9R1.1 CCc1ccc(cc1)Cl 1P00337G [0,2,0,0,0,0|1,0,0]=3 1699 B9R1.1 CCc1ccc(cc1)F 1P003ERU [0,2,0,0,0,0|1,0,0]=3 1700 B9R1.1 CCc1ccc(cc1)I 1P003ERV [0,2,0,0,0,0|1,0,0]=3 1701 B9R1.1 CCc1ccc(cc1)N 1P003LSI [0,2,0,0,0,0|1,0,0]=3 1702 B9R1.1 CCc1ccc(cc1)O 1P000KDC [0,2,0,0,0,0|0,0,0]=2 1703 B9R1.1 CCc1ccc(cc1)S 1P003LT5 [0,2,0,0,0,0|0,1,0]=3 1704 B9R1.1 CCc1ccc(cn1)Br 1P00C7IF [0,2,0,0,0,0|2,0,0]=4 1705 B9R1.1 CCc1ccc(cn1)C 1P00235T [0,2,0,0,0,0|2,0,0]=4 1706 B9R1.1 CCc1ccc(cn1)Cl 1P000HRE [0,2,0,0,0,0|2,0,0]=4 1707 B9R1.1 CCc1ccc(cn1)N 1P000TDY [0,2,0,0,0,0|2,0,0]=4 1708 B9R1.1 CCc1ccc(nc1)Br 1P002BZE [0,2,0,0,0,0|2,0,0]=4 1709 B9R1.1 CCc1ccc(nc1)C 1P003N6Q [0,2,0,0,0,0|2,0,0]=4 1710 B9R1.1 CCc1ccc(nc1)Cl 1P00GVTP [0,2,0,0,0,0|2,0,0]=4 1711 B9R1.1 CCc1ccc(nc1)F 1P024ZTD [0,2,0,0,0,0|2,0,0]=4 1712 B9R1.1 CCc1ccc(nc1)N 1P002BZF [0,2,0,0,0,0|2,0,0]=4 1713 B9R1.1 CCc1ccc(nc1)O 1P00D8JL [0,2,0,0,0,0|1,0,0]=3 1714 B9R1.1 CCc1ccc(nn1)O 1P00E29X [0,2,0,0,0,0|2,0,0]=4 1715 B9R1.1 CCc1cnc(nc1)O 1P00EYG6 [0,2,0,0,0,0|2,0,0]=4 1716 B9R1.1 CN=c1ccc(c[nH]1)F 1P00IEPB [0,2,0,0,0,0|2,0,0]=4 1717 B9R1.1 CNc1ccc(cc1)C 1P0034AC [0,2,0,0,0,0|1,0,0]=3 1718 B9R1.1 CNc1ccc(cc1)Cl 1P003270 [0,2,0,0,0,0|1,0,0]=3 1719 B9R1.1 CNc1ccc(cc1)Cl 1P003LO9 [0,2,0,0,0,0|1,0,0]=3 1720 B9R1.1 CNc1ccc(cc1)F 1P003LWA [0,2,0,0,0,0|1,0,0]=3 1721 B9R1.1 CNc1ccc(cc1)I 1P00IB6M [0,2,0,0,0,0|1,0,0]=3 1722 B9R1.1 CNc1ccc(cc1)I 1P019GFT [0,2,0,0,0,0|1,0,0]=3 1723 B9R1.1 CNc1ccc(cc1)N 1P00DF30 [0,2,0,0,0,0|1,0,0]=3 1724 B9R1.1 CNc1ccc(cc1)N 1P00IBGX [0,2,0,0,0,0|1,0,0]=3 1725 B9R1.1 CNc1ccc(cc1)O 1P001MOT [0,2,0,0,0,0|0,0,0]=2 1726 B9R1.1 CNc1ccc(cc1)O 1P003M7V [0,2,0,0,0,0|0,0,0]=2 1727 B9R1.1 CNc1ccc(cc1)S 1P01BL04 [0,2,0,0,0,0|0,1,0]=3 1728 B9R1.1 CNc1ccc(cn1)Br 1P0054DA [0,2,0,0,0,0|2,0,0]=4 1729 B9R1.1 CNc1ccc(cn1)C 1P00DKLV [0,2,0,0,0,0|2,0,0]=4 1730 B9R1.1 CNc1ccc(cn1)Cl 1P007433 [0,2,0,0,0,0|2,0,0]=4 1731 B9R1.1 CNc1ccc(cn1)I 1P00BK8S [0,2,0,0,0,0|2,0,0]=4 1732 B9R1.1 CNc1ccc(cn1)N 1P008V2F [0,2,0,0,0,0|2,0,0]=4 1733 B9R1.1 CNc1ccc(cn1)N 1P00BEJL [0,2,0,0,0,0|2,0,0]=4 1734 B9R1.1 CNc1ccc(cn1)N 1P01FATH [0,2,0,0,0,0|2,0,0]=4 1735 B9R1.1 CNc1ccc(nc1)Br 1P00941T [0,2,0,0,0,0|2,0,0]=4 1736 B9R1.1 CNc1ccc(nc1)C 1P00943F [0,2,0,0,0,0|2,0,0]=4 1737 B9R1.1 CNc1ccc(nc1)Cl 1P008UXG [0,2,0,0,0,0|2,0,0]=4 1738 B9R1.1 CNc1ccc(nc1)F 1P00AOFA [0,2,0,0,0,0|2,0,0]=4 1739 B9R1.1 CNc1ccc(nc1)N 1P019SL4 [0,2,0,0,0,0|2,0,0]=4 1740 B9R1.1 COc1cc[n+](cc1)[O-] 1P002JKL [0,2,0,0,0,0|1,0,0]=3 1741 B9R1.1 COc1cc[n+](cc1)[O-] 1P003M5O [0,2,0,0,0,0|1,0,0]=3 1742 B9R1.1 COc1ccc(=O)[nH]c1 1P00EF6N [0,2,0,0,0,0|1,0,0]=3 1743 B9R1.1 COc1ccc(=O)[nH]n1 1P00B4RM [0,2,0,0,0,0|2,0,0]=4 1744 B9R1.1 COc1ccc(cc1)Br 1P0039GO [0,2,0,0,0,0|0,0,0]=2 1745 B9R1.1 COc1ccc(cc1)C 1P003M7W [0,2,0,0,0,0|0,0,0]=2 1746 B9R1.1 COc1ccc(cc1)Cl 1P003LMY [0,2,0,0,0,0|0,0,0]=2 1747 B9R1.1 COc1ccc(cc1)F 1P0034HW [0,2,0,0,0,0|0,0,0]=2 1748 B9R1.1 COc1ccc(cc1)I 1P003M17 [0,2,0,0,0,0|0,0,0]=2 1749 B9R1.1 COc1ccc(cc1)N 1P0028TX [0,2,0,0,0,0|0,0,0]=2 1750 B9R1.1 COc1ccc(cc1)N 1P0035WX [0,2,0,0,0,0|0,0,0]=2 1751 B9R1.1 COc1ccc(cc1)O 1P001MOS [0,2,0,0,0,0|0,0,0]=2 1752 B9R1.1 COc1ccc(cn1)Br 1P003MY9 [0,2,0,0,0,0|1,0,0]=3 1753 B9R1.1 COc1ccc(cn1)C 1P0070MX [0,2,0,0,0,0|1,0,0]=3 1754 B9R1.1 COc1ccc(cn1)Cl 1P003N3Y [0,2,0,0,0,0|1,0,0]=3 1755 B9R1.1 COc1ccc(cn1)F 1P003N7M [0,2,0,0,0,0|1,0,0]=3 1756 B9R1.1 COc1ccc(cn1)I 1P0032QK [0,2,0,0,0,0|1,0,0]=3 1757 B9R1.1 COc1ccc(cn1)N 1P0033U7 [0,2,0,0,0,0|1,0,0]=3 1758 B9R1.1 COc1ccc(cn1)O 1P003954 [0,2,0,0,0,0|1,0,0]=3 1759 B9R1.1 COc1ccc(cn1)S 1P01L022 [0,2,0,0,0,0|1,0,0]=3 1760 B9R1.1 COc1ccc(nc1)Br 1P0038TC [0,2,0,0,0,0|1,0,0]=3 1761 B9R1.1 COc1ccc(nc1)C 1P00IABL [0,2,0,0,0,0|1,0,0]=3 1762 B9R1.1 COc1ccc(nc1)Cl 1P001BS1 [0,2,0,0,0,0|1,0,0]=3 1763 B9R1.1 COc1ccc(nc1)F 1P00130G [0,2,0,0,0,0|1,0,0]=3 1764 B9R1.1 COc1ccc(nc1)I 1P001U9H [0,2,0,0,0,0|1,0,0]=3 1765 B9R1.1 COc1ccc(nc1)N 1P0005LO [0,2,0,0,0,0|1,0,0]=3 1766 B9R1.1 COc1ccc(nn1)Br 1P001Z6P [0,2,0,0,0,0|2,0,0]=4 1767 B9R1.1 COc1ccc(nn1)C 1P00254Z [0,2,0,0,0,0|2,0,0]=4 1768 B9R1.1 COc1ccc(nn1)Cl 1P007WL3 [0,2,0,0,0,0|2,0,0]=4 1769 B9R1.1 COc1ccc(nn1)F 1P01DZOM [0,2,0,0,0,0|2,0,0]=4 1770 B9R1.1 COc1ccc(nn1)I 1P001Z6N [0,2,0,0,0,0|2,0,0]=4 1771 B9R1.1 COc1ccc(nn1)N 1P001RI7 [0,2,0,0,0,0|2,0,0]=4 1772 B9R1.1 COc1ccc(nn1)N 1P00377J [0,2,0,0,0,0|2,0,0]=4 1773 B9R1.1 COc1cnc(cn1)Br 1P0033MJ [0,2,0,0,0,0|2,0,0]=4 1774 B9R1.1 COc1cnc(cn1)Cl 1P00BZ0W [0,2,0,0,0,0|2,0,0]=4 1775 B9R1.1 COc1cnc(cn1)N 1P003GXX [0,2,0,0,0,0|2,0,0]=4 1776 B9R1.1 COc1cnc(nc1)Br 1P0036KE [0,2,0,0,0,0|2,0,0]=4 1777 B9R1.1 COc1cnc(nc1)Cl 1P003HFS [0,2,0,0,0,0|2,0,0]=4 1778 B9R1.1 COc1cnc(nc1)N 1P009DL2 [0,2,0,0,0,0|2,0,0]=4 1779 B9R1.1 COc1ncc(cn1)Br 1P001CEG [0,2,0,0,0,0|2,0,0]=4 1780 B9R1.1 COc1ncc(cn1)Cl 1P00BXV7 [0,2,0,0,0,0|2,0,0]=4 1781 B9R1.1 COc1ncc(cn1)F 1P00AMWK [0,2,0,0,0,0|2,0,0]=4 1782 B9R1.1 COc1ncc(cn1)I 1P00062U [0,2,0,0,0,0|2,0,0]=4 1783 B9R1.1 COc1ncc(cn1)N 1P003MU2 [0,2,0,0,0,0|2,0,0]=4 1784 B9R1.1 COc1ncc(cn1)O 1P00H58U [0,2,0,0,0,0|2,0,0]=4 1785 B9R1.1 COc1ncc(cn1)S 1P01V0GS [0,2,0,0,0,0|2,0,0]=4 1786 B9R1.1 CSc1ccc(cc1)Br 1P003LHW [0,2,0,0,0,0|0,1,0]=3 1787 B9R1.1 CSc1ccc(cc1)C 1P003CD6 [0,2,0,0,0,0|0,1,0]=3 1788 B9R1.1 CSc1ccc(cc1)Cl 1P000KDA [0,2,0,0,0,0|0,1,0]=3 1789 B9R1.1 CSc1ccc(cc1)F 1P003LX0 [0,2,0,0,0,0|0,1,0]=3 1790 B9R1.1 CSc1ccc(cc1)I 1P00BY6Q [0,2,0,0,0,0|0,1,0]=3 1791 B9R1.1 CSc1ccc(cc1)N 1P003KPS [0,2,0,0,0,0|0,1,0]=3 1792 B9R1.1 CSc1ccc(cc1)O 1P0034AH [0,2,0,0,0,0|0,0,0]=2 1793 B9R1.1 CSc1ccc(cc1)S 1P003KQA [0,2,0,0,0,0|0,1,0]=3 1794 B9R1.1 CSc1ccc(cn1)Br 1P00D8H6 [0,2,0,0,0,0|1,1,0]=4 1795 B9R1.1 CSc1ccc(cn1)N 1P00CFUQ [0,2,0,0,0,0|1,1,0]=4 1796 B9R1.1 CSc1ccc(nc1)Br 1P009EF8 [0,2,0,0,0,0|1,1,0]=4 1797 B9R1.1 CSc1ccc(nc1)Cl 1P00CKSD [0,2,0,0,0,0|1,1,0]=4 1798 B9R1.1 CSc1ccc(nc1)N 1P008P9S [0,2,0,0,0,0|1,1,0]=4 1799 B9R1.1 CSc1ncc(cn1)O 1P003N91 [0,2,0,0,0,0|2,0,0]=4 1800 B9R1.1 Cc1ccc(nn1)CO 1P004R3E [0,2,0,0,0,0|2,0,0]=4 1801 B9R1.1 Cc1ccc(nn1)CO 1P0282HR [0,2,0,0,0,0|2,0,0]=4 1802 B9R1.1 Cc1cnc(cn1)CO 1P00EITF [0,2,0,0,0,0|2,0,0]=4 1803 B9R1.1 ClCc1ccc(cc1)Br 1P003LG2 [0,2,0,0,0,0|1,0,0]=3 1804 B9R1.1 ClCc1ccc(cc1)C 1P007GSP [0,2,0,0,0,0|1,0,0]=3 1805 B9R1.1 ClCc1ccc(cc1)Cl 1P0039GP [0,2,0,0,0,0|1,0,0]=3 1806 B9R1.1 ClCc1ccc(cc1)F 1P003LVW [0,2,0,0,0,0|1,0,0]=3 1807 B9R1.1 ClCc1ccc(cc1)I 1P00DCW1 [0,2,0,0,0,0|1,0,0]=3 1808 B9R1.1 ClCc1ccc(cn1)Br 1P001YS4 [0,2,0,0,0,0|2,0,0]=4 1809 B9R1.1 ClCc1ccc(cn1)Br 1P0037DA [0,2,0,0,0,0|2,0,0]=4 1810 B9R1.1 ClCc1ccc(cn1)C 1P0033Q3 [0,2,0,0,0,0|2,0,0]=4 1811 B9R1.1 ClCc1ccc(cn1)Cl 1P0005WP [0,2,0,0,0,0|2,0,0]=4 1812 B9R1.1 ClCc1ccc(cn1)Cl 1P000MGX [0,2,0,0,0,0|2,0,0]=4 1813 B9R1.1 ClCc1ccc(cn1)F 1P003AH4 [0,2,0,0,0,0|2,0,0]=4 1814 B9R1.1 ClCc1ccc(cn1)F 1P01AD1L [0,2,0,0,0,0|2,0,0]=4 1815 B9R1.1 ClCc1ccc(nc1)Br 1P001YD1 [0,2,0,0,0,0|2,0,0]=4 1816 B9R1.1 ClCc1ccc(nc1)Br 1P0094YF [0,2,0,0,0,0|2,0,0]=4 1817 B9R1.1 ClCc1ccc(nc1)C 1P008YVG [0,2,0,0,0,0|2,0,0]=4 1818 B9R1.1 ClCc1ccc(nc1)Cl 1P00378I [0,2,0,0,0,0|2,0,0]=4 1819 B9R1.1 ClCc1ccc(nc1)F 1P00CMTI [0,2,0,0,0,0|2,0,0]=4 1820 B9R1.1 ClCc1ccc(nc1)N 1P01EIRM [0,2,0,0,0,0|2,0,0]=4 1821 B9R1.1 Cl\N=C\1/C=CC(=O)C=C1 1P003TD5 [0,2,0,0,0,0|0,0,1]=3 1822 B9R1.1 Clc1ccc(cc1)[N+]#N 1P01BKQZ [0,2,0,0,0,0|1,0,0]=3 1823 B9R1.1 Clc1ccc(cc1)[N+]#[C-] 1P002HE4 [0,2,0,0,0,0|1,0,0]=3 1824 B9R1.1 FCc1ccc(cc1)Br 1P00DL86 [0,2,0,0,0,0|1,0,0]=3 1825 B9R1.1 FCc1ccc(nc1)F 1P028KGL [0,2,0,0,0,0|2,0,0]=4 1826 B9R1.1 FCc1ncc(cn1)O 1P00HVWZ [0,2,0,0,0,0|2,0,0]=4 1827 B9R1.1 Fc1ccc(cc1)[N+]#N 1P00D9HV [0,2,0,0,0,0|1,0,0]=3 1828 B9R1.1 Fc1ccc(cc1)[N+]#[C-] 1P007OPG [0,2,0,0,0,0|1,0,0]=3 1829 B9R1.1 ICc1ccc(cc1)Br 1P01B2VK [0,2,0,0,0,0|1,0,0]=3 1830 B9R1.1 ICc1ccc(cc1)Cl 1P01C1RU [0,2,0,0,0,0|1,0,0]=3 1831 B9R1.1 Ic1ccc(cc1)[N+]#N 1P01BKR0 [0,2,0,0,0,0|1,0,0]=3 1832 B9R1.1 N#Cc1cc[n+](cc1)C 1P000J5O [0,2,0,0,0,0|2,0,0]=4 1833 B9R1.1 N#Cc1cc[n+](cc1)[O-] 1P001LUD [0,2,0,0,0,0|1,0,1]=4 1834 B9R1.1 N#Cc1ccc(=O)[nH]c1 1P003781 [0,2,0,0,0,0|1,0,1]=4 1835 B9R1.1 N#Cc1ccc(=O)oc1 1P000ZQS [0,2,0,0,0,0|1,0,1]=4 1836 B9R1.1 N#Cc1ccc(cc1)Br 1P0034EV [0,2,0,0,0,0|1,0,0]=3 1837 B9R1.1 N#Cc1ccc(cc1)C 1P007GS8 [0,2,0,0,0,0|1,0,0]=3 1838 B9R1.1 N#Cc1ccc(cc1)Cl 1P003LNC [0,2,0,0,0,0|1,0,0]=3 1839 B9R1.1 N#Cc1ccc(cc1)F 1P000PNR [0,2,0,0,0,0|1,0,0]=3 1840 B9R1.1 N#Cc1ccc(cc1)I 1P00311V [0,2,0,0,0,0|1,0,0]=3 1841 B9R1.1 N#Cc1ccc(cc1)N 1P0034H9 [0,2,0,0,0,0|1,0,0]=3 1842 B9R1.1 N#Cc1ccc(cc1)O 1P0034IS [0,2,0,0,0,0|0,0,0]=2 1843 B9R1.1 N#Cc1ccc(cc1)S 1P00398E [0,2,0,0,0,0|0,1,0]=3 1844 B9R1.1 N#Cc1ccc(cn1)Br 1P0034P5 [0,2,0,0,0,0|2,0,0]=4 1845 B9R1.1 N#Cc1ccc(cn1)C 1P001T2K [0,2,0,0,0,0|2,0,0]=4 1846 B9R1.1 N#Cc1ccc(cn1)Cl 1P003N30 [0,2,0,0,0,0|2,0,0]=4 1847 B9R1.1 N#Cc1ccc(cn1)F 1P00BZEG [0,2,0,0,0,0|2,0,0]=4 1848 B9R1.1 N#Cc1ccc(cn1)I 1P00CB7O [0,2,0,0,0,0|2,0,0]=4 1849 B9R1.1 N#Cc1ccc(cn1)N 1P003MV8 [0,2,0,0,0,0|2,0,0]=4 1850 B9R1.1 N#Cc1ccc(cn1)O 1P004PZF [0,2,0,0,0,0|1,0,0]=3 1851 B9R1.1 N#Cc1ccc(cn1)S 1P028GQC [0,2,0,0,0,0|1,1,0]=4 1852 B9R1.1 N#Cc1ccc(nc1)Br 1P001BRZ [0,2,0,0,0,0|2,0,0]=4 1853 B9R1.1 N#Cc1ccc(nc1)C 1P00383W [0,2,0,0,0,0|2,0,0]=4 1854 B9R1.1 N#Cc1ccc(nc1)Cl 1P0033OX [0,2,0,0,0,0|2,0,0]=4 1855 B9R1.1 N#Cc1ccc(nc1)F 1P0034Q3 [0,2,0,0,0,0|2,0,0]=4 1856 B9R1.1 N#Cc1ccc(nc1)I 1P002XMK [0,2,0,0,0,0|2,0,0]=4 1857 B9R1.1 N#Cc1ccc(nc1)N 1P00I8N3 [0,2,0,0,0,0|2,0,0]=4 1858 B9R1.1 N#Cc1ccc(nc1)O 1P00IJYR [0,2,0,0,0,0|1,0,0]=3 1859 B9R1.1 N#Cc1ccc(nc1)S 1P00C2IY [0,2,0,0,0,0|1,1,0]=4 1860 B9R1.1 N#Cc1ncc(cn1)O 1P00C7G9 [0,2,0,0,0,0|2,0,0]=4 1861 B9R1.1 NCc1ccc(=O)[nH]c1 1P003MNG [0,2,0,0,0,0|1,0,1]=4 1862 B9R1.1 NCc1ccc(cc1)Br 1P002SK4 [0,2,0,0,0,0|1,0,0]=3 1863 B9R1.1 NCc1ccc(cc1)Br 1P0034EY [0,2,0,0,0,0|1,0,0]=3 1864 B9R1.1 NCc1ccc(cc1)C 1P007GSC [0,2,0,0,0,0|1,0,0]=3 1865 B9R1.1 NCc1ccc(cc1)Cl 1P0034GM [0,2,0,0,0,0|1,0,0]=3 1866 B9R1.1 NCc1ccc(cc1)Cl 1P00CMJJ [0,2,0,0,0,0|1,0,0]=3 1867 B9R1.1 NCc1ccc(cc1)F 1P001CDZ [0,2,0,0,0,0|1,0,0]=3 1868 B9R1.1 NCc1ccc(cc1)F 1P00FB8G [0,2,0,0,0,0|1,0,0]=3 1869 B9R1.1 NCc1ccc(cc1)I 1P003M1E [0,2,0,0,0,0|1,0,0]=3 1870 B9R1.1 NCc1ccc(cc1)I 1P003M1F [0,2,0,0,0,0|1,0,0]=3 1871 B9R1.1 NCc1ccc(cc1)N 1P003L7R [0,2,0,0,0,0|1,0,0]=3 1872 B9R1.1 NCc1ccc(cc1)N 1P00DE7Z [0,2,0,0,0,0|1,0,0]=3 1873 B9R1.1 NCc1ccc(cc1)O 1P0002CY [0,2,0,0,0,0|0,0,0]=2 1874 B9R1.1 NCc1ccc(cc1)O 1P0069EG [0,2,0,0,0,0|0,0,0]=2 1875 B9R1.1 NCc1ccc(cc1)O 1P00GSKB [0,2,0,0,0,0|0,0,0]=2 1876 B9R1.1 NCc1ccc(cc1)O 1P00IM7V [0,2,0,0,0,0|0,0,0]=2 1877 B9R1.1 NCc1ccc(cc1)S 1P01FKXD [0,2,0,0,0,0|0,1,0]=3 1878 B9R1.1 NCc1ccc(cn1)Br 1P000M47 [0,2,0,0,0,0|2,0,0]=4 1879 B9R1.1 NCc1ccc(cn1)Br 1P000NSJ [0,2,0,0,0,0|2,0,0]=4 1880 B9R1.1 NCc1ccc(cn1)Br 1P001ZTJ [0,2,0,0,0,0|2,0,0]=4 1881 B9R1.1 NCc1ccc(cn1)C 1P001W8Q [0,2,0,0,0,0|2,0,0]=4 1882 B9R1.1 NCc1ccc(cn1)C 1P00D9BM [0,2,0,0,0,0|2,0,0]=4 1883 B9R1.1 NCc1ccc(cn1)C 1P00J1OP [0,2,0,0,0,0|2,0,0]=4 1884 B9R1.1 NCc1ccc(cn1)Cl 1P000P3Q [0,2,0,0,0,0|2,0,0]=4 1885 B9R1.1 NCc1ccc(cn1)Cl 1P00FB1Q [0,2,0,0,0,0|2,0,0]=4 1886 B9R1.1 NCc1ccc(cn1)Cl 1P00GWHG [0,2,0,0,0,0|2,0,0]=4 1887 B9R1.1 NCc1ccc(cn1)F 1P003FFL [0,2,0,0,0,0|2,0,0]=4 1888 B9R1.1 NCc1ccc(cn1)I 1P027W72 [0,2,0,0,0,0|2,0,0]=4 1889 B9R1.1 NCc1ccc(cn1)N 1P0055YJ [0,2,0,0,0,0|2,0,0]=4 1890 B9R1.1 NCc1ccc(cn1)N 1P00IHOK [0,2,0,0,0,0|2,0,0]=4 1891 B9R1.1 NCc1ccc(cn1)O 1P000XNW [0,2,0,0,0,0|1,0,0]=3 1892 B9R1.1 NCc1ccc(cn1)O 1P028RPU [0,2,0,0,0,0|1,0,0]=3 1893 B9R1.1 NCc1ccc(nc1)Br 1P000NSI [0,2,0,0,0,0|2,0,0]=4 1894 B9R1.1 NCc1ccc(nc1)Br 1P007Q3R [0,2,0,0,0,0|2,0,0]=4 1895 B9R1.1 NCc1ccc(nc1)C 1P00EEYH [0,2,0,0,0,0|2,0,0]=4 1896 B9R1.1 NCc1ccc(nc1)C 1P00I8VC [0,2,0,0,0,0|2,0,0]=4 1897 B9R1.1 NCc1ccc(nc1)Cl 1P00ARA3 [0,2,0,0,0,0|2,0,0]=4 1898 B9R1.1 NCc1ccc(nc1)Cl 1P00IKCY [0,2,0,0,0,0|2,0,0]=4 1899 B9R1.1 NCc1ccc(nc1)F 1P002ARS [0,2,0,0,0,0|2,0,0]=4 1900 B9R1.1 NCc1ccc(nc1)I 1P027Y1N [0,2,0,0,0,0|2,0,0]=4 1901 B9R1.1 NCc1ccc(nc1)N 1P001PLB [0,2,0,0,0,0|2,0,0]=4 1902 B9R1.1 NCc1ccc(nc1)N 1P00BFS2 [0,2,0,0,0,0|2,0,0]=4 1903 B9R1.1 NCc1ccc(nc1)O 1P01AJNO [0,2,0,0,0,0|1,0,0]=3 1904 B9R1.1 NNc1ccc(cc1)Br 1P0034FB [0,2,0,0,0,0|1,0,0]=3 1905 B9R1.1 NNc1ccc(cc1)Br 1P00EAW1 [0,2,0,0,0,0|1,0,0]=3 1906 B9R1.1 NNc1ccc(cc1)C 1P0036LJ [0,2,0,0,0,0|1,0,0]=3 1907 B9R1.1 NNc1ccc(cc1)C 1P00DESK [0,2,0,0,0,0|1,0,0]=3 1908 B9R1.1 NNc1ccc(cc1)Cl 1P001DWX [0,2,0,0,0,0|1,0,0]=3 1909 B9R1.1 NNc1ccc(cc1)Cl 1P003LOR [0,2,0,0,0,0|1,0,0]=3 1910 B9R1.1 NNc1ccc(cc1)Cl 1P007WRK [0,2,0,0,0,0|1,0,0]=3 1911 B9R1.1 NNc1ccc(cc1)F 1P0034I9 [0,2,0,0,0,0|1,0,0]=3 1912 B9R1.1 NNc1ccc(cc1)F 1P00I7SM [0,2,0,0,0,0|1,0,0]=3 1913 B9R1.1 NNc1ccc(cc1)I 1P000W3L [0,2,0,0,0,0|1,0,0]=3 1914 B9R1.1 NNc1ccc(cc1)I 1P00EL3Q [0,2,0,0,0,0|1,0,0]=3 1915 B9R1.1 NNc1ccc(cc1)O 1P0291QT [0,2,0,0,0,0|0,0,0]=2 1916 B9R1.1 NNc1ccc(cn1)Br 1P003HU6 [0,2,0,0,0,0|2,0,0]=4 1917 B9R1.1 NNc1ccc(cn1)C 1P00DEJR [0,2,0,0,0,0|2,0,0]=4 1918 B9R1.1 NNc1ccc(cn1)C 1P00HVIX [0,2,0,0,0,0|2,0,0]=4 1919 B9R1.1 NNc1ccc(cn1)Cl 1P00BEHW [0,2,0,0,0,0|2,0,0]=4 1920 B9R1.1 NNc1ccc(cn1)Cl 1P01K21L [0,2,0,0,0,0|2,0,0]=4 1921 B9R1.1 NNc1ccc(cn1)F 1P001DZV [0,2,0,0,0,0|2,0,0]=4 1922 B9R1.1 NNc1ccc(cn1)F 1P009X08 [0,2,0,0,0,0|2,0,0]=4 1923 B9R1.1 NNc1ccc(nc1)Br 1P000TVP [0,2,0,0,0,0|2,0,0]=4 1924 B9R1.1 NNc1ccc(nc1)C 1P003UIV [0,2,0,0,0,0|2,0,0]=4 1925 B9R1.1 NNc1ccc(nc1)C 1P028DYO [0,2,0,0,0,0|2,0,0]=4 1926 B9R1.1 NNc1ccc(nc1)Cl 1P001DZW [0,2,0,0,0,0|2,0,0]=4 1927 B9R1.1 NNc1ccc(nc1)F 1P00H108 [0,2,0,0,0,0|2,0,0]=4 1928 B9R1.1 NNc1ccc(nc1)F 1P028K4X [0,2,0,0,0,0|2,0,0]=4 1929 B9R1.1 NOc1ccc(cc1)Br 1P01BJDR [0,2,0,0,0,0|0,0,0]=2 1930 B9R1.1 NOc1ccc(cc1)Cl 1P01B746 [0,2,0,0,0,0|0,0,0]=2 1931 B9R1.1 NOc1ccc(cc1)F 1P01C1SZ [0,2,0,0,0,0|0,0,0]=2 1932 B9R1.1 Nc1ccc(nn1)CO 1P01BSN4 [0,2,0,0,0,0|2,0,0]=4 1933 B9R1.1 Nc1cnc(cn1)CO 1P01A06C [0,2,0,0,0,0|2,0,0]=4 1934 B9R1.1 O=Cc1cc[n+](cc1)C 1P01DWCI [0,2,0,0,0,0|1,0,1]=4 1935 B9R1.1 O=Cc1ccc(=O)[nH]c1 1P0033T4 [0,2,0,0,0,0|1,0,1]=4 1936 B9R1.1 O=Cc1ccc(cc1)Br 1P0034ER [0,2,0,0,0,0|0,0,1]=3 1937 B9R1.1 O=Cc1ccc(cc1)C 1P003UHG [0,2,0,0,0,0|0,0,1]=3 1938 B9R1.1 O=Cc1ccc(cc1)Cl 1P0034GH [0,2,0,0,0,0|0,0,1]=3 1939 B9R1.1 O=Cc1ccc(cc1)F 1P0034HX [0,2,0,0,0,0|0,0,1]=3 1940 B9R1.1 O=Cc1ccc(cc1)I 1P003M18 [0,2,0,0,0,0|0,0,1]=3 1941 B9R1.1 O=Cc1ccc(cc1)N 1P00IV1I [0,2,0,0,0,0|0,0,1]=3 1942 B9R1.1 O=Cc1ccc(cc1)O 1P000KDB [0,2,0,0,0,0|0,0,0]=2 1943 B9R1.1 O=Cc1ccc(cc1)S 1P0037B5 [0,2,0,0,0,0|0,0,1]=3 1944 B9R1.1 O=Cc1ccc(cn1)Br 1P003N1J [0,2,0,0,0,0|1,0,1]=4 1945 B9R1.1 O=Cc1ccc(cn1)C 1P0037VI [0,2,0,0,0,0|1,0,1]=4 1946 B9R1.1 O=Cc1ccc(cn1)Cl 1P0034PX [0,2,0,0,0,0|1,0,1]=4 1947 B9R1.1 O=Cc1ccc(cn1)F 1P0036BB [0,2,0,0,0,0|1,0,1]=4 1948 B9R1.1 O=Cc1ccc(cn1)N 1P0095PU [0,2,0,0,0,0|1,0,1]=4 1949 B9R1.1 O=Cc1ccc(cn1)O 1P00BFVO [0,2,0,0,0,0|1,0,0]=3 1950 B9R1.1 O=Cc1ccc(nc1)Br 1P001MI1 [0,2,0,0,0,0|1,0,1]=4 1951 B9R1.1 O=Cc1ccc(nc1)C 1P003NRI [0,2,0,0,0,0|1,0,1]=4 1952 B9R1.1 O=Cc1ccc(nc1)Cl 1P002MNQ [0,2,0,0,0,0|1,0,1]=4 1953 B9R1.1 O=Cc1ccc(nc1)F 1P0036MR [0,2,0,0,0,0|1,0,1]=4 1954 B9R1.1 O=Cc1ccc(nc1)N 1P001REZ [0,2,0,0,0,0|1,0,1]=4 1955 B9R1.1 O=Cc1ccc(nc1)N 1P00668Q [0,2,0,0,0,0|1,0,1]=4 1956 B9R1.1 O=Nc1ccc(cc1)Br 1P00CPA7 [0,2,0,0,0,0|0,0,1]=3 1957 B9R1.1 OCc1cc[n+](cc1)C 1P00EJQG [0,2,0,0,0,0|1,0,0]=3 1958 B9R1.1 OCc1cc[n+](cc1)[O-] 1P003MHD [0,2,0,0,0,0|1,0,0]=3 1959 B9R1.1 OCc1ccc(=O)[nH]c1 1P007U3P [0,2,0,0,0,0|1,0,0]=3 1960 B9R1.1 OCc1ccc(cc1)Br 1P003LGD [0,2,0,0,0,0|0,0,0]=2 1961 B9R1.1 OCc1ccc(cc1)C 1P003M84 [0,2,0,0,0,0|0,0,0]=2 1962 B9R1.1 OCc1ccc(cc1)Cl 1P003LNJ [0,2,0,0,0,0|0,0,0]=2 1963 B9R1.1 OCc1ccc(cc1)F 1P003LVV [0,2,0,0,0,0|0,0,0]=2 1964 B9R1.1 OCc1ccc(cc1)I 1P0024MX [0,2,0,0,0,0|0,0,0]=2 1965 B9R1.1 OCc1ccc(cc1)N 1P00IBGW [0,2,0,0,0,0|0,0,0]=2 1966 B9R1.1 OCc1ccc(cc1)O 1P0034IT [0,2,0,0,0,0|0,0,0]=2 1967 B9R1.1 OCc1ccc(cc1)S 1P0037SK [0,2,0,0,0,0|0,0,0]=2 1968 B9R1.1 OCc1ccc(cn1)Br 1P0033TK [0,2,0,0,0,0|1,0,0]=3 1969 B9R1.1 OCc1ccc(cn1)C 1P002M2Y [0,2,0,0,0,0|1,0,0]=3 1970 B9R1.1 OCc1ccc(cn1)Cl 1P002KQQ [0,2,0,0,0,0|1,0,0]=3 1971 B9R1.1 OCc1ccc(cn1)F 1P005O1X [0,2,0,0,0,0|1,0,0]=3 1972 B9R1.1 OCc1ccc(cn1)N 1P003MTL [0,2,0,0,0,0|1,0,0]=3 1973 B9R1.1 OCc1ccc(cn1)O 1P003AD7 [0,2,0,0,0,0|1,0,0]=3 1974 B9R1.1 OCc1ccc(cn1)O 1P028BAO [0,2,0,0,0,0|1,0,0]=3 1975 B9R1.1 OCc1ccc(nc1)Br 1P0017JZ [0,2,0,0,0,0|1,0,0]=3 1976 B9R1.1 OCc1ccc(nc1)C 1P003N9G [0,2,0,0,0,0|1,0,0]=3 1977 B9R1.1 OCc1ccc(nc1)Cl 1P003HFN [0,2,0,0,0,0|1,0,0]=3 1978 B9R1.1 OCc1ccc(nc1)F 1P00778N [0,2,0,0,0,0|1,0,0]=3 1979 B9R1.1 OCc1ccc(nc1)N 1P008S78 [0,2,0,0,0,0|1,0,0]=3 1980 B9R1.1 OCc1ccc(nn1)Cl 1P0004AM [0,2,0,0,0,0|2,0,0]=4 1981 B9R1.1 OCc1ccc(nn1)Cl 1P01A7C2 [0,2,0,0,0,0|2,0,0]=4 1982 B9R1.1 OCc1ccc(nn1)O 1P01BGJB [0,2,0,0,0,0|2,0,0]=4 1983 B9R1.1 OCc1cnc(cn1)Br 1P00FGRP [0,2,0,0,0,0|2,0,0]=4 1984 B9R1.1 OCc1cnc(cn1)Cl 1P003HEP [0,2,0,0,0,0|2,0,0]=4 1985 B9R1.1 OCc1cnc(nc1)Br 1P01JSMM [0,2,0,0,0,0|2,0,0]=4 1986 B9R1.1 OCc1cnc(nc1)C 1P0033UT [0,2,0,0,0,0|2,0,0]=4 1987 B9R1.1 OCc1cnc(nc1)Cl 1P008Y6A [0,2,0,0,0,0|2,0,0]=4 1988 B9R1.1 OCc1cnc(nc1)N 1P0075NQ [0,2,0,0,0,0|2,0,0]=4 1989 B9R1.1 OCc1ncc(cn1)Br 1P0034NW [0,2,0,0,0,0|2,0,0]=4 1990 B9R1.1 OCc1ncc(cn1)C 1P00IGSM [0,2,0,0,0,0|2,0,0]=4 1991 B9R1.1 OCc1ncc(cn1)Cl 1P003N2J [0,2,0,0,0,0|2,0,0]=4 1992 B9R1.1 OCc1ncc(cn1)F 1P000JRN [0,2,0,0,0,0|2,0,0]=4 1993 B9R1.1 OCc1ncc(cn1)I 1P028DGG [0,2,0,0,0,0|2,0,0]=4 1994 B9R1.1 OCc1ncc(cn1)N 1P024WA6 [0,2,0,0,0,0|2,0,0]=4 1995 B9R1.1 ONc1ccc(cc1)C 1P00F3HV [0,2,0,0,0,0|0,0,0]=2 1996 B9R1.1 ONc1ccc(cc1)F 1P0076XK [0,2,0,0,0,0|0,0,0]=2 1997 B9R1.1 Oc1ccc(nn1)CCl 1P028PW7 [0,2,0,0,0,0|2,0,0]=4 1998 B9R1.1 SCc1ccc(cc1)Br 1P003LGE [0,2,0,0,0,0|0,1,0]=3 1999 B9R1.1 SCc1ccc(cc1)C 1P003M88 [0,2,0,0,0,0|0,1,0]=3 2000 B9R1.1 SCc1ccc(cc1)Cl 1P0034GJ [0,2,0,0,0,0|0,1,0]=3 2001 B9R1.1 SCc1ccc(cc1)F 1P001RI5 [0,2,0,0,0,0|0,1,0]=3 2002 B9R1.1 SCc1ccc(cc1)I 1P028LXK [0,2,0,0,0,0|0,1,0]=3 2003 B9R1.2 BrC1=CC=CC(=N1)CN 1P01FWU4 [0,2,0,0,0,0|2,0,0]=4 2004 B9R1.2 BrCc1cc[nH]c(=N)c1 1P00IEJC [0,2,0,0,0,0|2,0,0]=4 2005 B9R1.2 BrCc1cccc(c1)Br 1P003JKT [0,2,0,0,0,0|1,0,0]=3 2006 B9R1.2 BrCc1cccc(c1)C 1P003K7H [0,2,0,0,0,0|1,0,0]=3 2007 B9R1.2 BrCc1cccc(c1)Cl 1P003JR7 [0,2,0,0,0,0|1,0,0]=3 2008 B9R1.2 BrCc1cccc(c1)F 1P003469 [0,2,0,0,0,0|1,0,0]=3 2009 B9R1.2 BrCc1cccc(c1)I 1P003DJ8 [0,2,0,0,0,0|1,0,0]=3 2010 B9R1.2 BrCc1cccc(c1)O 1P005WI3 [0,2,0,0,0,0|0,0,0]=2 2011 B9R1.2 BrCc1cccc(n1)Br 1P005E9F [0,2,0,0,0,0|2,0,0]=4 2012 B9R1.2 BrCc1cccc(n1)Br 1P00D1BM [0,2,0,0,0,0|2,0,0]=4 2013 B9R1.2 BrCc1cccc(n1)C 1P003BJ3 [0,2,0,0,0,0|2,0,0]=4 2014 B9R1.2 BrCc1cccc(n1)C 1P00EDKW [0,2,0,0,0,0|2,0,0]=4 2015 B9R1.2 BrCc1cccc(n1)Cl 1P0039W2 [0,2,0,0,0,0|2,0,0]=4 2016 B9R1.2 BrCc1cccc(n1)F 1P0001PJ [0,2,0,0,0,0|2,0,0]=4 2017 B9R1.2 BrCc1cccc(n1)I 1P0285UW [0,2,0,0,0,0|2,0,0]=4 2018 B9R1.2 BrCc1cccc(n1)N 1P01BD5Y [0,2,0,0,0,0|2,0,0]=4 2019 B9R1.2 BrCc1ccnc(c1)Br 1P0036WE [0,2,0,0,0,0|2,0,0]=4 2020 B9R1.2 BrCc1ccnc(c1)Br 1P00D1BL [0,2,0,0,0,0|2,0,0]=4 2021 B9R1.2 BrCc1ccnc(c1)C 1P01EM94 [0,2,0,0,0,0|2,0,0]=4 2022 B9R1.2 BrCc1ccnc(c1)Cl 1P003KN7 [0,2,0,0,0,0|2,0,0]=4 2023 B9R1.2 BrCc1ccnc(c1)F 1P00EM9M [0,2,0,0,0,0|2,0,0]=4 2024 B9R1.2 BrCc1cncc(c1)Br 1P001DTK [0,2,0,0,0,0|2,0,0]=4 2025 B9R1.2 BrCc1cncc(c1)Br 1P01A763 [0,2,0,0,0,0|2,0,0]=4 2026 B9R1.2 BrCc1nccc(c1)Br 1P0096AI [0,2,0,0,0,0|2,0,0]=4 2027 B9R1.2 Brc1cc(C=C)cnc1 1P002FIU [0,2,0,0,0,0|2,0,0]=4 2028 B9R1.2 Brc1cc(C=C)ncc1 1P00DMJL [0,2,0,0,0,0|2,0,0]=4 2029 B9R1.2 Brc1cc(C=O)cnc1 1P0034P6 [0,2,0,0,0,0|1,0,1]=4 2030 B9R1.2 Brc1cc(C=O)ncc1 1P00104V [0,2,0,0,0,0|1,0,1]=4 2031 B9R1.2 Brc1cc(cnc1)C#C 1P00GXWD [0,2,0,0,0,0|2,0,0]=4 2032 B9R1.2 Brc1cc(cnc1)C#N 1P0034P2 [0,2,0,0,0,0|2,0,0]=4 2033 B9R1.2 Brc1cc(ncc1)C#N 1P003HKR [0,2,0,0,0,0|2,0,0]=4 2034 B9R1.2 C#Cc1cc[nH]c(=N)c1 1P019F6Y [0,2,0,0,0,0|2,0,0]=4 2035 B9R1.2 C#Cc1cc[nH]c(=O)c1 1P01FSQC [0,2,0,0,0,0|1,0,1]=4 2036 B9R1.2 C#Cc1ccc[n+](c1)[O-] 1P027RMY [0,2,0,0,0,0|1,0,1]=4 2037 B9R1.2 C#Cc1cccc(=O)[nH]1 1P01XDSA [0,2,0,0,0,0|1,0,1]=4 2038 B9R1.2 C#Cc1cccc(c1)Br 1P003JLK [0,2,0,0,0,0|1,0,0]=3 2039 B9R1.2 C#Cc1cccc(c1)C 1P005WI8 [0,2,0,0,0,0|1,0,0]=3 2040 B9R1.2 C#Cc1cccc(c1)Cl 1P003JRX [0,2,0,0,0,0|1,0,0]=3 2041 B9R1.2 C#Cc1cccc(c1)F 1P00346C [0,2,0,0,0,0|1,0,0]=3 2042 B9R1.2 C#Cc1cccc(c1)N 1P002JCX [0,2,0,0,0,0|1,0,0]=3 2043 B9R1.2 C#Cc1cccc(c1)N 1P003JVF [0,2,0,0,0,0|1,0,0]=3 2044 B9R1.2 C#Cc1cccc(c1)O 1P003JVJ [0,2,0,0,0,0|0,0,0]=2 2045 B9R1.2 C#Cc1cccc(n1)Br 1P007219 [0,2,0,0,0,0|2,0,0]=4 2046 B9R1.2 C#Cc1cccc(n1)C 1P0030IT [0,2,0,0,0,0|2,0,0]=4 2047 B9R1.2 C#Cc1cccc(n1)Cl 1P00GWXF [0,2,0,0,0,0|2,0,0]=4 2048 B9R1.2 C#Cc1cccc(n1)F 1P000KSS [0,2,0,0,0,0|2,0,0]=4 2049 B9R1.2 C#Cc1cccc(n1)N 1P00BAOZ [0,2,0,0,0,0|2,0,0]=4 2050 B9R1.2 C#Cc1ccnc(c1)Br 1P000PTI [0,2,0,0,0,0|2,0,0]=4 2051 B9R1.2 C#Cc1ccnc(c1)C 1P0030IU [0,2,0,0,0,0|2,0,0]=4 2052 B9R1.2 C#Cc1ccnc(c1)Cl 1P005WT7 [0,2,0,0,0,0|2,0,0]=4 2053 B9R1.2 C#Cc1ccnc(c1)F 1P00JT0L [0,2,0,0,0,0|2,0,0]=4 2054 B9R1.2 C=Cc1cccc(c1)Br 1P0029O1 [0,2,0,0,0,0|1,0,0]=3 2055 B9R1.2 C=Cc1cccc(c1)C 1P0000ON [0,2,0,0,0,0|1,0,0]=3 2056 B9R1.2 C=Cc1cccc(c1)Cl 1P0029O2 [0,2,0,0,0,0|1,0,0]=3 2057 B9R1.2 C=Cc1cccc(c1)F 1P00BYPO [0,2,0,0,0,0|1,0,0]=3 2058 B9R1.2 C=Cc1cccc(c1)I 1P00I98Z [0,2,0,0,0,0|1,0,0]=3 2059 B9R1.2 C=Cc1cccc(c1)N 1P003KDV [0,2,0,0,0,0|1,0,0]=3 2060 B9R1.2 C=Cc1cccc(c1)O 1P00EFDF [0,2,0,0,0,0|0,0,0]=2 2061 B9R1.2 C=Cc1cccc(n1)Br 1P006IKD [0,2,0,0,0,0|2,0,0]=4 2062 B9R1.2 C=Cc1cccc(n1)C 1P007C8U [0,2,0,0,0,0|2,0,0]=4 2063 B9R1.2 C=Cc1cccc(n1)F 1P01DP5U [0,2,0,0,0,0|2,0,0]=4 2064 B9R1.2 C=Cc1ccnc(c1)Br 1P0068I0 [0,2,0,0,0,0|2,0,0]=4 2065 B9R1.2 C=Cc1ccnc(c1)F 1P00DKNA [0,2,0,0,0,0|2,0,0]=4 2066 B9R1.2 CC[n+]1cccc(c1)C 1P00337W [0,2,0,0,0,0|2,0,0]=4 2067 B9R1.2 CCc1cc(Br)ccn1 1P001PG2 [0,2,0,0,0,0|2,0,0]=4 2068 B9R1.2 CCc1cc(Br)cnc1 1P009BLX [0,2,0,0,0,0|2,0,0]=4 2069 B9R1.2 CCc1cc(Cl)cnc1 1P01BUJN [0,2,0,0,0,0|2,0,0]=4 2070 B9R1.2 CCc1cc(N)ccn1 1P00DGSU [0,2,0,0,0,0|2,0,0]=4 2071 B9R1.2 CCc1cc(N)cnc1 1P0092A4 [0,2,0,0,0,0|2,0,0]=4 2072 B9R1.2 CCc1cc(O)cnc1 1P01IO5Q [0,2,0,0,0,0|1,0,0]=3 2073 B9R1.2 CCc1cc[nH]c(=O)c1 1P01HJV9 [0,2,0,0,0,0|1,0,1]=4 2074 B9R1.2 CCc1cccc(c1)C 1P00345O [0,2,0,0,0,0|1,0,0]=3 2075 B9R1.2 CCc1cccc(c1)Cl 1P00E960 [0,2,0,0,0,0|1,0,0]=3 2076 B9R1.2 CCc1cccc(c1)F 1P005KEQ [0,2,0,0,0,0|1,0,0]=3 2077 B9R1.2 CCc1cccc(c1)I 1P002FVF [0,2,0,0,0,0|1,0,0]=3 2078 B9R1.2 CCc1cccc(c1)N 1P00345L [0,2,0,0,0,0|1,0,0]=3 2079 B9R1.2 CCc1cccc(c1)O 1P003JVD [0,2,0,0,0,0|0,0,0]=2 2080 B9R1.2 CCc1cccc(c1)S 1P00EC7S [0,2,0,0,0,0|0,1,0]=3 2081 B9R1.2 CCc1cccc(n1)Br 1P00370H [0,2,0,0,0,0|2,0,0]=4 2082 B9R1.2 CCc1cccc(n1)C 1P0083JM [0,2,0,0,0,0|2,0,0]=4 2083 B9R1.2 CCc1cccc(n1)F 1P00KE64 [0,2,0,0,0,0|2,0,0]=4 2084 B9R1.2 CCc1cccc(n1)N 1P003NNZ [0,2,0,0,0,0|2,0,0]=4 2085 B9R1.2 CCc1ccnc(c1)Br 1P00IA74 [0,2,0,0,0,0|2,0,0]=4 2086 B9R1.2 CCc1ccnc(c1)Cl 1P00C9HG [0,2,0,0,0,0|2,0,0]=4 2087 B9R1.2 CCc1ccnc(c1)N 1P00383Q [0,2,0,0,0,0|2,0,0]=4 2088 B9R1.2 CCc1nc(O)ccn1 1P00AI8S [0,2,0,0,0,0|2,0,0]=4 2089 B9R1.2 CN=c1[nH]ccc(c1)C 1P00DKLU [0,2,0,0,0,0|2,0,0]=4 2090 B9R1.2 CNc1cc(Br)ccn1 1P00DKLE [0,2,0,0,0,0|2,0,0]=4 2091 B9R1.2 CNc1cc(Br)cnc1 1P003AL0 [0,2,0,0,0,0|2,0,0]=4 2092 B9R1.2 CNc1cc(Cl)ccn1 1P00G2NA [0,2,0,0,0,0|2,0,0]=4 2093 B9R1.2 CNc1cc(F)ccn1 1P00A16T [0,2,0,0,0,0|2,0,0]=4 2094 B9R1.2 CNc1cc(N)ccn1 1P009X0L [0,2,0,0,0,0|2,0,0]=4 2095 B9R1.2 CNc1cc(O)ncn1 1P0083JN [0,2,0,0,0,0|2,0,0]=4 2096 B9R1.2 CNc1cccc(c1)Br 1P003TMD [0,2,0,0,0,0|1,0,0]=3 2097 B9R1.2 CNc1cccc(c1)Br 1P00FEPZ [0,2,0,0,0,0|1,0,0]=3 2098 B9R1.2 CNc1cccc(c1)C 1P003TOM [0,2,0,0,0,0|1,0,0]=3 2099 B9R1.2 CNc1cccc(c1)Cl 1P003JRL [0,2,0,0,0,0|1,0,0]=3 2100 B9R1.2 CNc1cccc(c1)Cl 1P003JRM [0,2,0,0,0,0|1,0,0]=3 2101 B9R1.2 CNc1cccc(c1)F 1P002BI5 [0,2,0,0,0,0|1,0,0]=3 2102 B9R1.2 CNc1cccc(c1)F 1P00AN6L [0,2,0,0,0,0|1,0,0]=3 2103 B9R1.2 CNc1cccc(c1)I 1P00F5KV [0,2,0,0,0,0|1,0,0]=3 2104 B9R1.2 CNc1cccc(c1)I 1P01S6IV [0,2,0,0,0,0|1,0,0]=3 2105 B9R1.2 CNc1cccc(c1)N 1P00DKBG [0,2,0,0,0,0|1,0,0]=3 2106 B9R1.2 CNc1cccc(c1)O 1P001F0G [0,2,0,0,0,0|0,0,0]=2 2107 B9R1.2 CNc1cccc(c1)S 1P028M43 [0,2,0,0,0,0|0,1,0]=3 2108 B9R1.2 CNc1cccc(n1)Br 1P0088O5 [0,2,0,0,0,0|2,0,0]=4 2109 B9R1.2 CNc1cccc(n1)C 1P01AJJZ [0,2,0,0,0,0|2,0,0]=4 2110 B9R1.2 CNc1cccc(n1)Cl 1P00437Y [0,2,0,0,0,0|2,0,0]=4 2111 B9R1.2 CNc1cccc(n1)F 1P00CLTI [0,2,0,0,0,0|2,0,0]=4 2112 B9R1.2 CNc1cccc(n1)N 1P00GALK [0,2,0,0,0,0|2,0,0]=4 2113 B9R1.2 CNc1cccc(n1)O 1P00BU94 [0,2,0,0,0,0|1,0,0]=3 2114 B9R1.2 CNc1ccnc(c1)Br 1P00G9FU [0,2,0,0,0,0|2,0,0]=4 2115 B9R1.2 CNc1ccnc(c1)Br 1P028RRH [0,2,0,0,0,0|2,0,0]=4 2116 B9R1.2 CNc1ccnc(c1)F 1P01KKLM [0,2,0,0,0,0|2,0,0]=4 2117 B9R1.2 CNc1cncc(c1)C 1P01KHHK [0,2,0,0,0,0|2,0,0]=4 2118 B9R1.2 CNc1nccc(c1)C 1P019S75 [0,2,0,0,0,0|2,0,0]=4 2119 B9R1.2 COc1cc(=O)[nH]cn1 1P00EYFD [0,2,0,0,0,0|2,0,0]=4 2120 B9R1.2 COc1cc(=O)[nH]nc1 1P000LEQ [0,2,0,0,0,0|2,0,0]=4 2121 B9R1.2 COc1cc(Br)ccn1 1P00027I [0,2,0,0,0,0|1,0,0]=3 2122 B9R1.2 COc1cc(Br)cnc1 1P003JJQ [0,2,0,0,0,0|1,0,0]=3 2123 B9R1.2 COc1cc(Br)ncn1 1P005LBC [0,2,0,0,0,0|2,0,0]=4 2124 B9R1.2 COc1cc(Cl)ccn1 1P0033U6 [0,2,0,0,0,0|1,0,0]=3 2125 B9R1.2 COc1cc(Cl)cnc1 1P005XEU [0,2,0,0,0,0|1,0,0]=3 2126 B9R1.2 COc1cc(Cl)ncn1 1P002TQW [0,2,0,0,0,0|2,0,0]=4 2127 B9R1.2 COc1cc(Cl)nnc1 1P000LEP [0,2,0,0,0,0|2,0,0]=4 2128 B9R1.2 COc1cc(F)ccn1 1P00360G [0,2,0,0,0,0|1,0,0]=3 2129 B9R1.2 COc1cc(F)cnc1 1P007ELO [0,2,0,0,0,0|1,0,0]=3 2130 B9R1.2 COc1cc(F)ncn1 1P00E2DV [0,2,0,0,0,0|2,0,0]=4 2131 B9R1.2 COc1cc(I)ccn1 1P0034JF [0,2,0,0,0,0|1,0,0]=3 2132 B9R1.2 COc1cc(I)cnc1 1P003K23 [0,2,0,0,0,0|1,0,0]=3 2133 B9R1.2 COc1cc(I)ncn1 1P00APKX [0,2,0,0,0,0|2,0,0]=4 2134 B9R1.2 COc1cc(N)ccn1 1P0034CU [0,2,0,0,0,0|1,0,0]=3 2135 B9R1.2 COc1cc(N)cnc1 1P003JDA [0,2,0,0,0,0|1,0,0]=3 2136 B9R1.2 COc1cc(N)ncn1 1P00ICF2 [0,2,0,0,0,0|2,0,0]=4 2137 B9R1.2 COc1cc(O)ccn1 1P00FCFK [0,2,0,0,0,0|1,0,0]=3 2138 B9R1.2 COc1cc(O)cnc1 1P003NB5 [0,2,0,0,0,0|1,0,0]=3 2139 B9R1.2 COc1cc(S)ccn1 1P028W86 [0,2,0,0,0,0|1,0,0]=3 2140 B9R1.2 COc1cc[nH]c(=O)c1 1P00D8H9 [0,2,0,0,0,0|1,0,0]=3 2141 B9R1.2 COc1cccc(=O)[nH]1 1P00BEPL [0,2,0,0,0,0|1,0,0]=3 2142 B9R1.2 COc1cccc(c1)Br 1P003JKL [0,2,0,0,0,0|0,0,0]=2 2143 B9R1.2 COc1cccc(c1)C 1P0000OJ [0,2,0,0,0,0|0,0,0]=2 2144 B9R1.2 COc1cccc(c1)Cl 1P003JQZ [0,2,0,0,0,0|0,0,0]=2 2145 B9R1.2 COc1cccc(c1)F 1P003JXQ [0,2,0,0,0,0|0,0,0]=2 2146 B9R1.2 COc1cccc(c1)I 1P003K27 [0,2,0,0,0,0|0,0,0]=2 2147 B9R1.2 COc1cccc(c1)N 1P003RX0 [0,2,0,0,0,0|0,0,0]=2 2148 B9R1.2 COc1cccc(c1)N 1P00IA0Z [0,2,0,0,0,0|0,0,0]=2 2149 B9R1.2 COc1cccc(c1)O 1P001MO6 [0,2,0,0,0,0|0,0,0]=2 2150 B9R1.2 COc1cccc(c1)S 1P001OLM [0,2,0,0,0,0|0,0,0]=2 2151 B9R1.2 COc1cccc(n1)Br 1P003H7O [0,2,0,0,0,0|1,0,0]=3 2152 B9R1.2 COc1cccc(n1)C 1P003I0A [0,2,0,0,0,0|1,0,0]=3 2153 B9R1.2 COc1cccc(n1)Cl 1P0033PJ [0,2,0,0,0,0|1,0,0]=3 2154 B9R1.2 COc1cccc(n1)F 1P000CH1 [0,2,0,0,0,0|1,0,0]=3 2155 B9R1.2 COc1cccc(n1)I 1P00240L [0,2,0,0,0,0|1,0,0]=3 2156 B9R1.2 COc1cccc(n1)N 1P0027BO [0,2,0,0,0,0|1,0,0]=3 2157 B9R1.2 COc1ccnc(c1)Br 1P0041ZQ [0,2,0,0,0,0|1,0,0]=3 2158 B9R1.2 COc1ccnc(c1)C 1P006XU2 [0,2,0,0,0,0|1,0,0]=3 2159 B9R1.2 COc1ccnc(c1)Cl 1P00AP4E [0,2,0,0,0,0|1,0,0]=3 2160 B9R1.2 COc1ccnc(c1)F 1P0021S2 [0,2,0,0,0,0|1,0,0]=3 2161 B9R1.2 COc1ccnc(c1)N 1P0006S9 [0,2,0,0,0,0|1,0,0]=3 2162 B9R1.2 COc1ccnc(n1)Br 1P00H7YB [0,2,0,0,0,0|2,0,0]=4 2163 B9R1.2 COc1ccnc(n1)C 1P005RCN [0,2,0,0,0,0|2,0,0]=4 2164 B9R1.2 COc1ccnc(n1)Cl 1P007OST [0,2,0,0,0,0|2,0,0]=4 2165 B9R1.2 COc1ccnc(n1)F 1P00772D [0,2,0,0,0,0|2,0,0]=4 2166 B9R1.2 COc1ccnc(n1)I 1P002SUG [0,2,0,0,0,0|2,0,0]=4 2167 B9R1.2 COc1ccnc(n1)N 1P001O07 [0,2,0,0,0,0|2,0,0]=4 2168 B9R1.2 COc1cncc(n1)Br 1P006RQE [0,2,0,0,0,0|2,0,0]=4 2169 B9R1.2 COc1cncc(n1)C 1P002X48 [0,2,0,0,0,0|2,0,0]=4 2170 B9R1.2 COc1cncc(n1)Cl 1P007GOB [0,2,0,0,0,0|2,0,0]=4 2171 B9R1.2 COc1cncc(n1)I 1P00EA5I [0,2,0,0,0,0|2,0,0]=4 2172 B9R1.2 COc1cncc(n1)N 1P003NQM [0,2,0,0,0,0|2,0,0]=4 2173 B9R1.2 COc1nc(Br)ccn1 1P00H6PR [0,2,0,0,0,0|2,0,0]=4 2174 B9R1.2 COc1nc(Cl)ccn1 1P00388H [0,2,0,0,0,0|2,0,0]=4 2175 B9R1.2 COc1nc(N)ccn1 1P00C823 [0,2,0,0,0,0|2,0,0]=4 2176 B9R1.2 COc1nccc(=O)[nH]1 1P006VNT [0,2,0,0,0,0|2,0,0]=4 2177 B9R1.2 COc1nccc(c1)C 1P0003HE [0,2,0,0,0,0|1,0,0]=3 2178 B9R1.2 COc1nccc(n1)C 1P001CEL [0,2,0,0,0,0|2,0,0]=4 2179 B9R1.2 COc1nncc(c1)Cl 1P01XFP3 [0,2,0,0,0,0|2,0,0]=4 2180 B9R1.2 COc1nncc(c1)N 1P01QHU7 [0,2,0,0,0,0|2,0,0]=4 2181 B9R1.2 CSc1cc(Br)cnc1 1P007ZGD [0,2,0,0,0,0|1,1,0]=4 2182 B9R1.2 CSc1cc(Cl)ccn1 1P00CL7Q [0,2,0,0,0,0|1,1,0]=4 2183 B9R1.2 CSc1cc(N)ccn1 1P003L4L [0,2,0,0,0,0|1,1,0]=4 2184 B9R1.2 CSc1cc(N)ccn1 1P01BV4Y [0,2,0,0,0,0|1,1,0]=4 2185 B9R1.2 CSc1cc(N)cnc1 1P00CGZQ [0,2,0,0,0,0|1,1,0]=4 2186 B9R1.2 CSc1cc(O)ccn1 1P01EMTA [0,2,0,0,0,0|1,0,0]=3 2187 B9R1.2 CSc1cccc(c1)Br 1P003JLZ [0,2,0,0,0,0|0,1,0]=3 2188 B9R1.2 CSc1cccc(c1)Cl 1P003JSF [0,2,0,0,0,0|0,1,0]=3 2189 B9R1.2 CSc1cccc(c1)F 1P003JYJ [0,2,0,0,0,0|0,1,0]=3 2190 B9R1.2 CSc1cccc(c1)I 1P000UUQ [0,2,0,0,0,0|0,1,0]=3 2191 B9R1.2 CSc1cccc(c1)N 1P0026DI [0,2,0,0,0,0|0,1,0]=3 2192 B9R1.2 CSc1cccc(c1)O 1P00C8UY [0,2,0,0,0,0|0,0,0]=2 2193 B9R1.2 CSc1cccc(n1)Br 1P005ECU [0,2,0,0,0,0|1,1,0]=4 2194 B9R1.2 CSc1cccc(n1)Cl 1P005QNO [0,2,0,0,0,0|1,1,0]=4 2195 B9R1.2 CSc1cccc(n1)N 1P01BBLS [0,2,0,0,0,0|1,1,0]=4 2196 B9R1.2 CSc1ccnc(c1)Cl 1P00670J [0,2,0,0,0,0|1,1,0]=4 2197 B9R1.2 CSc1ccnc(c1)N 1P00CJHF [0,2,0,0,0,0|1,1,0]=4 2198 B9R1.2 CSc1cncc(c1)N 1P01C2IP [0,2,0,0,0,0|1,1,0]=4 2199 B9R1.2 Cc1cc(C=C)cnc1 1P00DF2A [0,2,0,0,0,0|2,0,0]=4 2200 B9R1.2 Cc1cc(C=C)ncc1 1P001BT8 [0,2,0,0,0,0|2,0,0]=4 2201 B9R1.2 Cc1cc(C=O)cnc1 1P0003MU [0,2,0,0,0,0|1,0,1]=4 2202 B9R1.2 Cc1cc(C=O)ncc1 1P003M99 [0,2,0,0,0,0|1,0,1]=4 2203 B9R1.2 Cc1cc(CBr)cnc1 1P000L78 [0,2,0,0,0,0|2,0,0]=4 2204 B9R1.2 Cc1cc(CCl)cnc1 1P00035F [0,2,0,0,0,0|2,0,0]=4 2205 B9R1.2 Cc1cc(CCl)ncc1 1P005R6Z [0,2,0,0,0,0|2,0,0]=4 2206 B9R1.2 Cc1cc(CN)cnc1 1P0055YH [0,2,0,0,0,0|2,0,0]=4 2207 B9R1.2 Cc1cc(CN)cnc1 1P00HXPI [0,2,0,0,0,0|2,0,0]=4 2208 B9R1.2 Cc1cc(CN)ncc1 1P000P3N [0,2,0,0,0,0|2,0,0]=4 2209 B9R1.2 Cc1cc(CN)ncc1 1P000U56 [0,2,0,0,0,0|2,0,0]=4 2210 B9R1.2 Cc1cc(CO)cnc1 1P00071U [0,2,0,0,0,0|1,0,0]=3 2211 B9R1.2 Cc1cc(CO)cnc1 1P028PCG [0,2,0,0,0,0|1,0,0]=3 2212 B9R1.2 Cc1cc(CO)ncc1 1P00BYNN [0,2,0,0,0,0|1,0,0]=3 2213 B9R1.2 Cc1cc(CO)ncn1 1P005K5A [0,2,0,0,0,0|2,0,0]=4 2214 B9R1.2 Cc1cc(NN)ncc1 1P007151 [0,2,0,0,0,0|2,0,0]=4 2215 B9R1.2 Cc1cc(NN)ncc1 1P00J3E9 [0,2,0,0,0,0|2,0,0]=4 2216 B9R1.2 Cc1cc(cnc1)C#C 1P0030IW [0,2,0,0,0,0|2,0,0]=4 2217 B9R1.2 Cc1cc(cnc1)C#N 1P00345F [0,2,0,0,0,0|2,0,0]=4 2218 B9R1.2 Cc1cc(ncc1)C#C 1P0030IV [0,2,0,0,0,0|2,0,0]=4 2219 B9R1.2 Cc1cc(ncc1)C#N 1P001T2L [0,2,0,0,0,0|2,0,0]=4 2220 B9R1.2 Cc1ccnc(n1)CO 1P007LEM [0,2,0,0,0,0|2,0,0]=4 2221 B9R1.2 ClCc1cc(Br)ccn1 1P0001KM [0,2,0,0,0,0|2,0,0]=4 2222 B9R1.2 ClCc1cc(Br)cnc1 1P003JJ4 [0,2,0,0,0,0|2,0,0]=4 2223 B9R1.2 ClCc1cc(Br)cnc1 1P007QU3 [0,2,0,0,0,0|2,0,0]=4 2224 B9R1.2 ClCc1cc[nH]c(=O)c1 1P009QH3 [0,2,0,0,0,0|1,0,1]=4 2225 B9R1.2 ClCc1ccc[n+](c1)[O-] 1P004XG3 [0,2,0,0,0,0|1,0,1]=4 2226 B9R1.2 ClCc1cccc(c1)Br 1P003JKU [0,2,0,0,0,0|1,0,0]=3 2227 B9R1.2 ClCc1cccc(c1)C 1P003K7I [0,2,0,0,0,0|1,0,0]=3 2228 B9R1.2 ClCc1cccc(c1)Cl 1P0034WS [0,2,0,0,0,0|1,0,0]=3 2229 B9R1.2 ClCc1cccc(c1)F 1P003JXZ [0,2,0,0,0,0|1,0,0]=3 2230 B9R1.2 ClCc1cccc(c1)I 1P00EE36 [0,2,0,0,0,0|1,0,0]=3 2231 B9R1.2 ClCc1cccc(c1)N 1P01ALW2 [0,2,0,0,0,0|1,0,0]=3 2232 B9R1.2 ClCc1cccc(c1)O 1P00EE37 [0,2,0,0,0,0|0,0,0]=2 2233 B9R1.2 ClCc1cccc(n1)Br 1P003H76 [0,2,0,0,0,0|2,0,0]=4 2234 B9R1.2 ClCc1cccc(n1)C 1P0032BK [0,2,0,0,0,0|2,0,0]=4 2235 B9R1.2 ClCc1cccc(n1)C 1P0032BL [0,2,0,0,0,0|2,0,0]=4 2236 B9R1.2 ClCc1cccc(n1)Cl 1P003HGJ [0,2,0,0,0,0|2,0,0]=4 2237 B9R1.2 ClCc1cccc(n1)F 1P00BYN9 [0,2,0,0,0,0|2,0,0]=4 2238 B9R1.2 ClCc1ccnc(c1)Br 1P00IEJB [0,2,0,0,0,0|2,0,0]=4 2239 B9R1.2 ClCc1ccnc(c1)Cl 1P0006N4 [0,2,0,0,0,0|2,0,0]=4 2240 B9R1.2 ClCc1ccnc(c1)Cl 1P0094A6 [0,2,0,0,0,0|2,0,0]=4 2241 B9R1.2 ClCc1ccnc(c1)F 1P00B9BA [0,2,0,0,0,0|2,0,0]=4 2242 B9R1.2 ClCc1ccnc(c1)N 1P003GUW [0,2,0,0,0,0|2,0,0]=4 2243 B9R1.2 ClCc1cncc(c1)Cl 1P00G8NV [0,2,0,0,0,0|2,0,0]=4 2244 B9R1.2 ClCc1nccc(c1)Cl 1P0005WR [0,2,0,0,0,0|2,0,0]=4 2245 B9R1.2 ClCc1nccc(c1)Cl 1P000J59 [0,2,0,0,0,0|2,0,0]=4 2246 B9R1.2 Clc1cc(C=C)ncc1 1P0068T3 [0,2,0,0,0,0|2,0,0]=4 2247 B9R1.2 Clc1cc(C=O)cnc1 1P007RRE [0,2,0,0,0,0|1,0,1]=4 2248 B9R1.2 Clc1cc(C=O)ncc1 1P003LP1 [0,2,0,0,0,0|1,0,1]=4 2249 B9R1.2 Clc1cc(CBr)cnc1 1P01B78L [0,2,0,0,0,0|2,0,0]=4 2250 B9R1.2 Clc1cc(CBr)ncc1 1P01E7ZN [0,2,0,0,0,0|2,0,0]=4 2251 B9R1.2 Clc1cc(cnc1)C#C 1P00BZEM [0,2,0,0,0,0|2,0,0]=4 2252 B9R1.2 Clc1cc(cnc1)C#N 1P0034PN [0,2,0,0,0,0|2,0,0]=4 2253 B9R1.2 Clc1cc(ncc1)C#N 1P002GC7 [0,2,0,0,0,0|2,0,0]=4 2254 B9R1.2 FCc1cccc(c1)Br 1P01JKXE [0,2,0,0,0,0|1,0,0]=3 2255 B9R1.2 FCc1cccc(c1)I 1P01C30N [0,2,0,0,0,0|1,0,0]=3 2256 B9R1.2 FCc1cccc(c1)N 1P003IOW [0,2,0,0,0,0|1,0,0]=3 2257 B9R1.2 FCc1cccc(n1)Br 1P004RYQ [0,2,0,0,0,0|2,0,0]=4 2258 B9R1.2 Fc1cc(C=C)cnc1 1P0008U4 [0,2,0,0,0,0|2,0,0]=4 2259 B9R1.2 Fc1cc(C=C)ncc1 1P028XRN [0,2,0,0,0,0|2,0,0]=4 2260 B9R1.2 Fc1cc(C=O)cnc1 1P00778O [0,2,0,0,0,0|1,0,1]=4 2261 B9R1.2 Fc1cc(C=O)cnc1 1P01AG2V [0,2,0,0,0,0|1,0,1]=4 2262 B9R1.2 Fc1cc(C=O)ncc1 1P008ZJK [0,2,0,0,0,0|1,0,1]=4 2263 B9R1.2 Fc1cc(CBr)cnc1 1P009I3P [0,2,0,0,0,0|2,0,0]=4 2264 B9R1.2 Fc1cc(CBr)ncc1 1P01KLG4 [0,2,0,0,0,0|2,0,0]=4 2265 B9R1.2 Fc1cc(CCl)cnc1 1P0017GY [0,2,0,0,0,0|2,0,0]=4 2266 B9R1.2 Fc1cc(CCl)ncc1 1P01BJOB [0,2,0,0,0,0|2,0,0]=4 2267 B9R1.2 Fc1cc(cnc1)C#C 1P00GWPO [0,2,0,0,0,0|2,0,0]=4 2268 B9R1.2 Fc1cc(cnc1)C#N 1P00371W [0,2,0,0,0,0|2,0,0]=4 2269 B9R1.2 Fc1cc(ncc1)C#C 1P01KL8L [0,2,0,0,0,0|2,0,0]=4 2270 B9R1.2 Fc1cc(ncc1)C#N 1P008H6V [0,2,0,0,0,0|2,0,0]=4 2271 B9R1.2 ICc1cccc(c1)Cl 1P005V3N [0,2,0,0,0,0|1,0,0]=3 2272 B9R1.2 Ic1cc(C=O)cnc1 1P004H9C [0,2,0,0,0,0|1,0,1]=4 2273 B9R1.2 N#Cc1cc[nH]c(=O)c1 1P00374Y [0,2,0,0,0,0|1,0,1]=4 2274 B9R1.2 N#Cc1ccc[n+](c1)C 1P019MGL [0,2,0,0,0,0|2,0,0]=4 2275 B9R1.2 N#Cc1ccc[n+](c1)[O-] 1P001LU9 [0,2,0,0,0,0|1,0,1]=4 2276 B9R1.2 N#Cc1cccc(c1)Br 1P00343F [0,2,0,0,0,0|1,0,0]=3 2277 B9R1.2 N#Cc1cccc(c1)C 1P00IBF3 [0,2,0,0,0,0|1,0,0]=3 2278 B9R1.2 N#Cc1cccc(c1)Cl 1P00344X [0,2,0,0,0,0|1,0,0]=3 2279 B9R1.2 N#Cc1cccc(c1)F 1P003JXW [0,2,0,0,0,0|1,0,0]=3 2280 B9R1.2 N#Cc1cccc(c1)I 1P003K2A [0,2,0,0,0,0|1,0,0]=3 2281 B9R1.2 N#Cc1cccc(c1)N 1P006YMU [0,2,0,0,0,0|1,0,0]=3 2282 B9R1.2 N#Cc1cccc(c1)O 1P003JT1 [0,2,0,0,0,0|0,0,0]=2 2283 B9R1.2 N#Cc1cccc(c1)S 1P019Z6E [0,2,0,0,0,0|0,1,0]=3 2284 B9R1.2 N#Cc1cccc(n1)Br 1P000K8B [0,2,0,0,0,0|2,0,0]=4 2285 B9R1.2 N#Cc1cccc(n1)C 1P001T2M [0,2,0,0,0,0|2,0,0]=4 2286 B9R1.2 N#Cc1cccc(n1)Cl 1P00I6YD [0,2,0,0,0,0|2,0,0]=4 2287 B9R1.2 N#Cc1cccc(n1)F 1P0033QL [0,2,0,0,0,0|2,0,0]=4 2288 B9R1.2 N#Cc1cccc(n1)N 1P003GZ0 [0,2,0,0,0,0|2,0,0]=4 2289 B9R1.2 N#Cc1cccc(n1)O 1P0040AN [0,2,0,0,0,0|1,0,0]=3 2290 B9R1.2 N#Cc1ccnc(c1)Br 1P003H4P [0,2,0,0,0,0|2,0,0]=4 2291 B9R1.2 N#Cc1ccnc(c1)C 1P0039CH [0,2,0,0,0,0|2,0,0]=4 2292 B9R1.2 N#Cc1ccnc(c1)Cl 1P0033OQ [0,2,0,0,0,0|2,0,0]=4 2293 B9R1.2 N#Cc1ccnc(c1)F 1P0036G3 [0,2,0,0,0,0|2,0,0]=4 2294 B9R1.2 N#Cc1ccnc(c1)I 1P000FRT [0,2,0,0,0,0|2,0,0]=4 2295 B9R1.2 N#Cc1ccnc(c1)N 1P0033JZ [0,2,0,0,0,0|2,0,0]=4 2296 B9R1.2 N#Cc1ccnc(c1)S 1P00A7LZ [0,2,0,0,0,0|1,1,0]=4 2297 B9R1.2 NCc1[nH]ccc(=O)c1 1P00J1X6 [0,2,0,0,0,0|1,0,1]=4 2298 B9R1.2 NCc1cc(Br)ccn1 1P0036UF [0,2,0,0,0,0|2,0,0]=4 2299 B9R1.2 NCc1cc(Br)cnc1 1P0038KX [0,2,0,0,0,0|2,0,0]=4 2300 B9R1.2 NCc1cc(Cl)ccn1 1P0022S5 [0,2,0,0,0,0|2,0,0]=4 2301 B9R1.2 NCc1cc(Cl)cnc1 1P00196S [0,2,0,0,0,0|2,0,0]=4 2302 B9R1.2 NCc1cc(F)cnc1 1P002O92 [0,2,0,0,0,0|2,0,0]=4 2303 B9R1.2 NCc1cc(F)cnc1 1P00IEIR [0,2,0,0,0,0|2,0,0]=4 2304 B9R1.2 NCc1cc(O)cnc1 1P000MC8 [0,2,0,0,0,0|1,0,0]=3 2305 B9R1.2 NCc1cc[nH]c(=O)c1 1P006BTS [0,2,0,0,0,0|1,0,1]=4 2306 B9R1.2 NCc1cc[nH]c(=O)c1 1P009I31 [0,2,0,0,0,0|1,0,1]=4 2307 B9R1.2 NCc1cc[nH]c(=O)c1 1P01JVQ8 [0,2,0,0,0,0|1,0,1]=4 2308 B9R1.2 NCc1ccc[n+](c1)[O-] 1P01BSKK [0,2,0,0,0,0|1,0,1]=4 2309 B9R1.2 NCc1ccc[n+](c1)[O-] 1P01EIK3 [0,2,0,0,0,0|1,0,1]=4 2310 B9R1.2 NCc1cccc(=O)[nH]1 1P01A4RU [0,2,0,0,0,0|1,0,1]=4 2311 B9R1.2 NCc1cccc(=O)[nH]1 1P01KLL7 [0,2,0,0,0,0|1,0,1]=4 2312 B9R1.2 NCc1cccc(c1)Br 1P0008LR [0,2,0,0,0,0|1,0,0]=3 2313 B9R1.2 NCc1cccc(c1)Br 1P003JKW [0,2,0,0,0,0|1,0,0]=3 2314 B9R1.2 NCc1cccc(c1)C 1P0000OM [0,2,0,0,0,0|1,0,0]=3 2315 B9R1.2 NCc1cccc(c1)Cl 1P003JR8 [0,2,0,0,0,0|1,0,0]=3 2316 B9R1.2 NCc1cccc(c1)F 1P0000OL [0,2,0,0,0,0|1,0,0]=3 2317 B9R1.2 NCc1cccc(c1)F 1P01K78D [0,2,0,0,0,0|1,0,0]=3 2318 B9R1.2 NCc1cccc(c1)I 1P003K2D [0,2,0,0,0,0|1,0,0]=3 2319 B9R1.2 NCc1cccc(c1)I 1P00I7SX [0,2,0,0,0,0|1,0,0]=3 2320 B9R1.2 NCc1cccc(c1)N 1P003JDZ [0,2,0,0,0,0|1,0,0]=3 2321 B9R1.2 NCc1cccc(c1)O 1P0011H8 [0,2,0,0,0,0|0,0,0]=2 2322 B9R1.2 NCc1cccc(c1)O 1P003IMZ [0,2,0,0,0,0|0,0,0]=2 2323 B9R1.2 NCc1cccc(n1)Br 1P0074ZD [0,2,0,0,0,0|2,0,0]=4 2324 B9R1.2 NCc1cccc(n1)Br 1P00GSVK [0,2,0,0,0,0|2,0,0]=4 2325 B9R1.2 NCc1cccc(n1)Br 1P01FJ5Z [0,2,0,0,0,0|2,0,0]=4 2326 B9R1.2 NCc1cccc(n1)C 1P0012KB [0,2,0,0,0,0|2,0,0]=4 2327 B9R1.2 NCc1cccc(n1)C 1P004RKH [0,2,0,0,0,0|2,0,0]=4 2328 B9R1.2 NCc1cccc(n1)C 1P006OMB [0,2,0,0,0,0|2,0,0]=4 2329 B9R1.2 NCc1cccc(n1)Cl 1P001ONV [0,2,0,0,0,0|2,0,0]=4 2330 B9R1.2 NCc1cccc(n1)Cl 1P00AOJ9 [0,2,0,0,0,0|2,0,0]=4 2331 B9R1.2 NCc1cccc(n1)Cl 1P01BCK3 [0,2,0,0,0,0|2,0,0]=4 2332 B9R1.2 NCc1cccc(n1)F 1P000P2X [0,2,0,0,0,0|2,0,0]=4 2333 B9R1.2 NCc1cccc(n1)F 1P001ILO [0,2,0,0,0,0|2,0,0]=4 2334 B9R1.2 NCc1cccc(n1)N 1P001XQU [0,2,0,0,0,0|2,0,0]=4 2335 B9R1.2 NCc1cccc(n1)N 1P01CAT0 [0,2,0,0,0,0|2,0,0]=4 2336 B9R1.2 NCc1cccc(n1)O 1P01DEY1 [0,2,0,0,0,0|1,0,0]=3 2337 B9R1.2 NCc1ccnc(c1)Br 1P004XV2 [0,2,0,0,0,0|2,0,0]=4 2338 B9R1.2 NCc1ccnc(c1)Br 1P01BW3U [0,2,0,0,0,0|2,0,0]=4 2339 B9R1.2 NCc1ccnc(c1)Br 1P01EE6S [0,2,0,0,0,0|2,0,0]=4 2340 B9R1.2 NCc1ccnc(c1)C 1P00A0HX [0,2,0,0,0,0|2,0,0]=4 2341 B9R1.2 NCc1ccnc(c1)C 1P00IILX [0,2,0,0,0,0|2,0,0]=4 2342 B9R1.2 NCc1ccnc(c1)Cl 1P001KSS [0,2,0,0,0,0|2,0,0]=4 2343 B9R1.2 NCc1ccnc(c1)Cl 1P006G2L [0,2,0,0,0,0|2,0,0]=4 2344 B9R1.2 NCc1ccnc(c1)Cl 1P01C3Q0 [0,2,0,0,0,0|2,0,0]=4 2345 B9R1.2 NCc1ccnc(c1)F 1P00FDO6 [0,2,0,0,0,0|2,0,0]=4 2346 B9R1.2 NCc1ccnc(c1)F 1P01BRHN [0,2,0,0,0,0|2,0,0]=4 2347 B9R1.2 NCc1ccnc(c1)N 1P002CH8 [0,2,0,0,0,0|2,0,0]=4 2348 B9R1.2 NCc1ccnc(c1)O 1P01A90Q [0,2,0,0,0,0|1,0,0]=3 2349 B9R1.2 NCc1cncc(c1)Br 1P008SBV [0,2,0,0,0,0|2,0,0]=4 2350 B9R1.2 NCc1cncc(c1)C 1P027OFD [0,2,0,0,0,0|2,0,0]=4 2351 B9R1.2 NCc1cncc(c1)Cl 1P009XZW [0,2,0,0,0,0|2,0,0]=4 2352 B9R1.2 NCc1cncc(c1)N 1P00EF6P [0,2,0,0,0,0|2,0,0]=4 2353 B9R1.2 NCc1cncc(c1)O 1P028V18 [0,2,0,0,0,0|1,0,0]=3 2354 B9R1.2 NCc1cncc(n1)O 1P0293RL [0,2,0,0,0,0|2,0,0]=4 2355 B9R1.2 NCc1nccc(c1)Br 1P0001JX [0,2,0,0,0,0|2,0,0]=4 2356 B9R1.2 NCc1nccc(c1)C 1P00I7JX [0,2,0,0,0,0|2,0,0]=4 2357 B9R1.2 NCc1nccc(c1)F 1P00AAS2 [0,2,0,0,0,0|2,0,0]=4 2358 B9R1.2 NCc1nccc(c1)N 1P01EKJ0 [0,2,0,0,0,0|2,0,0]=4 2359 B9R1.2 NN=c1cccc([nH]1)C 1P008Y49 [0,2,0,0,0,0|2,0,0]=4 2360 B9R1.2 NNc1cc(Br)ccn1 1P0006N2 [0,2,0,0,0,0|2,0,0]=4 2361 B9R1.2 NNc1cc(Br)cnc1 1P00G8MJ [0,2,0,0,0,0|2,0,0]=4 2362 B9R1.2 NNc1cc(F)cnc1 1P01JX7A [0,2,0,0,0,0|2,0,0]=4 2363 B9R1.2 NNc1cc(I)ccn1 1P00943H [0,2,0,0,0,0|2,0,0]=4 2364 B9R1.2 NNc1cc(O)ncn1 1P00C2G6 [0,2,0,0,0,0|2,0,0]=4 2365 B9R1.2 NNc1cc[nH]c(=O)c1 1P00957K [0,2,0,0,0,0|1,0,1]=4 2366 B9R1.2 NNc1cccc(c1)Br 1P00343O [0,2,0,0,0,0|1,0,0]=3 2367 B9R1.2 NNc1cccc(c1)C 1P003484 [0,2,0,0,0,0|1,0,0]=3 2368 B9R1.2 NNc1cccc(c1)C 1P003SN5 [0,2,0,0,0,0|1,0,0]=3 2369 B9R1.2 NNc1cccc(c1)Cl 1P002MPK [0,2,0,0,0,0|1,0,0]=3 2370 B9R1.2 NNc1cccc(c1)Cl 1P003JRY [0,2,0,0,0,0|1,0,0]=3 2371 B9R1.2 NNc1cccc(c1)F 1P002YAH [0,2,0,0,0,0|1,0,0]=3 2372 B9R1.2 NNc1cccc(c1)F 1P00FBTT [0,2,0,0,0,0|1,0,0]=3 2373 B9R1.2 NNc1cccc(c1)O 1P00GAL3 [0,2,0,0,0,0|0,0,0]=2 2374 B9R1.2 NNc1cccc(c1)O 1P01B79V [0,2,0,0,0,0|0,0,0]=2 2375 B9R1.2 NNc1cccc(n1)Br 1P003H7K [0,2,0,0,0,0|2,0,0]=4 2376 B9R1.2 NNc1cccc(n1)Br 1P00J300 [0,2,0,0,0,0|2,0,0]=4 2377 B9R1.2 NNc1cccc(n1)C 1P00DDPS [0,2,0,0,0,0|2,0,0]=4 2378 B9R1.2 NNc1cccc(n1)C 1P00J2JN [0,2,0,0,0,0|2,0,0]=4 2379 B9R1.2 NNc1cccc(n1)Cl 1P003HH9 [0,2,0,0,0,0|2,0,0]=4 2380 B9R1.2 NNc1ccnc(c1)Br 1P01ADAI [0,2,0,0,0,0|2,0,0]=4 2381 B9R1.2 NNc1ccnc(c1)C 1P00J221 [0,2,0,0,0,0|2,0,0]=4 2382 B9R1.2 NNc1ccnc(c1)C 1P01BVOB [0,2,0,0,0,0|2,0,0]=4 2383 B9R1.2 NNc1ccnc(c1)Cl 1P005GEI [0,2,0,0,0,0|2,0,0]=4 2384 B9R1.2 NNc1ccnc(c1)F 1P008ISO [0,2,0,0,0,0|2,0,0]=4 2385 B9R1.2 NNc1cncc(c1)Br 1P009KEQ [0,2,0,0,0,0|2,0,0]=4 2386 B9R1.2 NNc1cncc(c1)C 1P0284S0 [0,2,0,0,0,0|2,0,0]=4 2387 B9R1.2 NOc1cccc(c1)Br 1P028VDB [0,2,0,0,0,0|0,0,0]=2 2388 B9R1.2 NOc1cccc(c1)Cl 1P024WNO [0,2,0,0,0,0|0,0,0]=2 2389 B9R1.2 N\N=c/1\cc(Cl)cc[nH]1 1P0033AX [0,2,0,0,0,0|2,0,0]=4 2390 B9R1.2 N\N=c\1/cccc([nH]1)F 1P008MLV [0,2,0,0,0,0|2,0,0]=4 2391 B9R1.2 Nc1cc(C=C)ncc1 1P0006QG [0,2,0,0,0,0|2,0,0]=4 2392 B9R1.2 Nc1cc(CBr)cnc1 1P01KLTB [0,2,0,0,0,0|2,0,0]=4 2393 B9R1.2 Nc1cc(CO)cnc1 1P00DEEH [0,2,0,0,0,0|1,0,0]=3 2394 B9R1.2 Nc1cc(CO)ncc1 1P0001GT [0,2,0,0,0,0|1,0,0]=3 2395 B9R1.2 Nc1cc(CO)ncc1 1P00A3VD [0,2,0,0,0,0|1,0,0]=3 2396 B9R1.2 Nc1cc(cnc1)C#C 1P00FE6Q [0,2,0,0,0,0|2,0,0]=4 2397 B9R1.2 Nc1cc(cnc1)C#N 1P003MUJ [0,2,0,0,0,0|2,0,0]=4 2398 B9R1.2 Nc1cc(ncc1)C#C 1P006IAF [0,2,0,0,0,0|2,0,0]=4 2399 B9R1.2 Nc1cc(ncc1)C#C 1P00HUTT [0,2,0,0,0,0|2,0,0]=4 2400 B9R1.2 Nc1cc(ncc1)C#N 1P006TZF [0,2,0,0,0,0|2,0,0]=4 2401 B9R1.2 Nc1ccnc(n1)CO 1P027PA4 [0,2,0,0,0,0|2,0,0]=4 2402 B9R1.2 Nc1cncc(n1)CO 1P01C27B [0,2,0,0,0,0|2,0,0]=4 2403 B9R1.2 O=Cc1cc[nH]c(=O)c1 1P002HFI [0,2,0,0,0,0|1,0,1]=4 2404 B9R1.2 O=Cc1cccc(=O)[nH]1 1P00CBKE [0,2,0,0,0,0|1,0,1]=4 2405 B9R1.2 O=Cc1cccc(c1)Br 1P00343C [0,2,0,0,0,0|0,0,1]=3 2406 B9R1.2 O=Cc1cccc(c1)C 1P003K77 [0,2,0,0,0,0|0,0,1]=3 2407 B9R1.2 O=Cc1cccc(c1)Cl 1P00IAWD [0,2,0,0,0,0|0,0,1]=3 2408 B9R1.2 O=Cc1cccc(c1)F 1P003465 [0,2,0,0,0,0|0,0,1]=3 2409 B9R1.2 O=Cc1cccc(c1)I 1P003475 [0,2,0,0,0,0|0,0,1]=3 2410 B9R1.2 O=Cc1cccc(c1)N 1P000X9L [0,2,0,0,0,0|0,0,1]=3 2411 B9R1.2 O=Cc1cccc(c1)O 1P0000OK [0,2,0,0,0,0|0,0,0]=2 2412 B9R1.2 O=Cc1cccc(c1)S 1P01A8YV [0,2,0,0,0,0|0,0,1]=3 2413 B9R1.2 O=Cc1cccc(n1)Br 1P0034T5 [0,2,0,0,0,0|1,0,1]=4 2414 B9R1.2 O=Cc1cccc(n1)C 1P003NRK [0,2,0,0,0,0|1,0,1]=4 2415 B9R1.2 O=Cc1cccc(n1)Cl 1P00DEFF [0,2,0,0,0,0|1,0,1]=4 2416 B9R1.2 O=Cc1cccc(n1)F 1P002JY1 [0,2,0,0,0,0|1,0,1]=4 2417 B9R1.2 O=Cc1cccc(n1)N 1P00CBAY [0,2,0,0,0,0|1,0,1]=4 2418 B9R1.2 O=Cc1ccnc(c1)Br 1P003H5M [0,2,0,0,0,0|1,0,1]=4 2419 B9R1.2 O=Cc1ccnc(c1)C 1P0037DJ [0,2,0,0,0,0|1,0,1]=4 2420 B9R1.2 O=Cc1ccnc(c1)Cl 1P000448 [0,2,0,0,0,0|1,0,1]=4 2421 B9R1.2 O=Cc1ccnc(c1)Cl 1P000K6W [0,2,0,0,0,0|1,0,1]=4 2422 B9R1.2 O=Cc1ccnc(c1)F 1P00104Q [0,2,0,0,0,0|1,0,1]=4 2423 B9R1.2 OCc1cc(=N)[nH]cn1 1P00DLDW [0,2,0,0,0,0|2,0,0]=4 2424 B9R1.2 OCc1cc(=O)[nH]cn1 1P0003SE [0,2,0,0,0,0|2,0,0]=4 2425 B9R1.2 OCc1cc(Br)ccn1 1P00103V [0,2,0,0,0,0|1,0,0]=3 2426 B9R1.2 OCc1cc(Br)cnc1 1P003JK1 [0,2,0,0,0,0|1,0,0]=3 2427 B9R1.2 OCc1cc(Br)cnc1 1P006XP9 [0,2,0,0,0,0|1,0,0]=3 2428 B9R1.2 OCc1cc(Cl)ccn1 1P003CC4 [0,2,0,0,0,0|1,0,0]=3 2429 B9R1.2 OCc1cc(Cl)ccn1 1P00J1WS [0,2,0,0,0,0|1,0,0]=3 2430 B9R1.2 OCc1cc(Cl)cnc1 1P006XPA [0,2,0,0,0,0|1,0,0]=3 2431 B9R1.2 OCc1cc(Cl)ncn1 1P00084K [0,2,0,0,0,0|2,0,0]=4 2432 B9R1.2 OCc1cc(F)ccn1 1P00HH5P [0,2,0,0,0,0|1,0,0]=3 2433 B9R1.2 OCc1cc(F)cnc1 1P006XPB [0,2,0,0,0,0|1,0,0]=3 2434 B9R1.2 OCc1cc[nH]c(=O)c1 1P000XX1 [0,2,0,0,0,0|1,0,0]=3 2435 B9R1.2 OCc1ccc[n+](c1)[O-] 1P003KCZ [0,2,0,0,0,0|1,0,0]=3 2436 B9R1.2 OCc1cccc(=O)[nH]1 1P007ETW [0,2,0,0,0,0|1,0,0]=3 2437 B9R1.2 OCc1cccc(c1)Br 1P001QQM [0,2,0,0,0,0|0,0,0]=2 2438 B9R1.2 OCc1cccc(c1)C 1P003K7G [0,2,0,0,0,0|0,0,0]=2 2439 B9R1.2 OCc1cccc(c1)Cl 1P003JR6 [0,2,0,0,0,0|0,0,0]=2 2440 B9R1.2 OCc1cccc(c1)F 1P003JXY [0,2,0,0,0,0|0,0,0]=2 2441 B9R1.2 OCc1cccc(c1)I 1P003K2C [0,2,0,0,0,0|0,0,0]=2 2442 B9R1.2 OCc1cccc(c1)N 1P0039D9 [0,2,0,0,0,0|0,0,0]=2 2443 B9R1.2 OCc1cccc(c1)O 1P003K0Z [0,2,0,0,0,0|0,0,0]=2 2444 B9R1.2 OCc1cccc(c1)S 1P00566D [0,2,0,0,0,0|0,0,0]=2 2445 B9R1.2 OCc1cccc(n1)Br 1P003H7T [0,2,0,0,0,0|1,0,0]=3 2446 B9R1.2 OCc1cccc(n1)C 1P007C8T [0,2,0,0,0,0|1,0,0]=3 2447 B9R1.2 OCc1cccc(n1)Cl 1P003CFI [0,2,0,0,0,0|1,0,0]=3 2448 B9R1.2 OCc1cccc(n1)Cl 1P003NM0 [0,2,0,0,0,0|1,0,0]=3 2449 B9R1.2 OCc1cccc(n1)F 1P003NO6 [0,2,0,0,0,0|1,0,0]=3 2450 B9R1.2 OCc1cccc(n1)N 1P003NJ2 [0,2,0,0,0,0|1,0,0]=3 2451 B9R1.2 OCc1ccnc(c1)Br 1P008RSZ [0,2,0,0,0,0|1,0,0]=3 2452 B9R1.2 OCc1ccnc(c1)C 1P007XDG [0,2,0,0,0,0|1,0,0]=3 2453 B9R1.2 OCc1ccnc(c1)Cl 1P00035P [0,2,0,0,0,0|1,0,0]=3 2454 B9R1.2 OCc1ccnc(c1)F 1P00104Y [0,2,0,0,0,0|1,0,0]=3 2455 B9R1.2 OCc1ccnc(c1)N 1P003C2A [0,2,0,0,0,0|1,0,0]=3 2456 B9R1.2 OCc1ccnc(n1)C 1P008T10 [0,2,0,0,0,0|2,0,0]=4 2457 B9R1.2 OCc1ccnc(n1)Cl 1P00CMNH [0,2,0,0,0,0|2,0,0]=4 2458 B9R1.2 OCc1ccnc(n1)N 1P00BFQP [0,2,0,0,0,0|2,0,0]=4 2459 B9R1.2 OCc1cncc(c1)O 1P00DGST [0,2,0,0,0,0|1,0,0]=3 2460 B9R1.2 OCc1cncc(n1)Br 1P009MAH [0,2,0,0,0,0|2,0,0]=4 2461 B9R1.2 OCc1cncc(n1)Cl 1P000LYW [0,2,0,0,0,0|2,0,0]=4 2462 B9R1.2 OCc1nc(Br)ccn1 1P02874M [0,2,0,0,0,0|2,0,0]=4 2463 B9R1.2 OCc1nc(Cl)ccn1 1P0096F4 [0,2,0,0,0,0|2,0,0]=4 2464 B9R1.2 OCc1nccc(=O)[nH]1 1P00CYET [0,2,0,0,0,0|2,0,0]=4 2465 B9R1.2 OCc1nccc(c1)O 1P01DL28 [0,2,0,0,0,0|1,0,0]=3 2466 B9R1.2 OCc1nccc(n1)O 1P028LSQ [0,2,0,0,0,0|2,0,0]=4 2467 B9R1.2 OCc1nncc(c1)C 1P0026U6 [0,2,0,0,0,0|2,0,0]=4 2468 B9R1.2 ONc1ccnc(=O)[nH]1 1P002ANF [0,2,0,0,0,0|2,0,0]=4 2469 B9R1.2 Oc1cc(C=O)cnc1 1P003N9K [0,2,0,0,0,0|1,0,0]=3 2470 B9R1.2 Oc1cc(CCl)ncn1 1P01EMWL [0,2,0,0,0,0|2,0,0]=4 2471 B9R1.2 Oc1cc(cnc1)C#C 1P028XYK [0,2,0,0,0,0|1,0,0]=3 2472 B9R1.2 Oc1cc(cnc1)C#N 1P0034R2 [0,2,0,0,0,0|1,0,0]=3 2473 B9R1.2 Oc1cc(ncc1)C#N 1P00DIFJ [0,2,0,0,0,0|1,0,0]=3 2474 B9R1.2 Oc1cc(ncn1)C#N 1P01AG7T [0,2,0,0,0,0|2,0,0]=4 2475 B9R1.2 Oc1ccnc(n1)C#N 1P01AGKE [0,2,0,0,0,0|2,0,0]=4 2476 B9R1.2 SCc1cccc(c1)Br 1P003JKV [0,2,0,0,0,0|0,1,0]=3 2477 B9R1.2 SCc1cccc(c1)C 1P003K7K [0,2,0,0,0,0|0,1,0]=3 2478 B9R1.2 SCc1cccc(c1)Cl 1P00BIQ5 [0,2,0,0,0,0|0,1,0]=3 2479 B9R1.2 SCc1cccc(c1)F 1P00C7RA [0,2,0,0,0,0|0,1,0]=3 2480 B9R1.2 SCc1cccc(c1)I 1P0290H9 [0,2,0,0,0,0|0,1,0]=3 2481 B9R1.2 [C-]#[N+]c1cccc(c1)Br 1P001LP6 [0,2,0,0,0,0|1,0,0]=3 2482 B9R1.2 [C-]#[N+]c1cccc(c1)Cl 1P00CPGW [0,2,0,0,0,0|1,0,0]=3 2483 B9R1.2 [C-]#[N+]c1cccc(c1)F 1P00BLRO [0,2,0,0,0,0|1,0,0]=3 2484 B9R1.6 BrC(=C)c1ccccc1 1P003AO1 [0,2,0,0,0,0|1,0,0]=3 2485 B9R1.6 BrC(=O)c1ccccc1 1P003OJM [0,2,0,0,0,0|0,0,1]=3 2486 B9R1.6 C(=O)([2H])c1ccccc1 1P00CKBV [0,2,0,0,0,0|0,0,1]=3 2487 B9R1.6 CC(=C)c1ccccn1 1P00ELW9 [0,2,0,0,0,0|2,0,0]=4 2488 B9R1.6 CC(=C)c1cccnc1 1P00B5O7 [0,2,0,0,0,0|2,0,0]=4 2489 B9R1.6 CC(=O)c1ccccc1 1P0036AX [0,2,0,0,0,0|0,0,1]=3 2490 B9R1.6 CC(=O)c1ccccn1 1P003GS6 [0,2,0,0,0,0|1,0,1]=4 2491 B9R1.6 CC(=O)c1cccnc1 1P003JA6 [0,2,0,0,0,0|1,0,1]=4 2492 B9R1.6 CC(=O)c1ccncc1 1P003L3Q [0,2,0,0,0,0|1,0,1]=4 2493 B9R1.6 CC([n+]1ccccc1)C 1P01ERR5 [0,2,0,0,0,0|2,0,0]=4 2494 B9R1.6 CC(c1ccccc1)Br 1P003BVV [0,2,0,0,0,0|1,0,0]=3 2495 B9R1.6 CC(c1ccccc1)C 1P0032S0 [0,2,0,0,0,0|1,0,0]=3 2496 B9R1.6 CC(c1ccccc1)Cl 1P003ENS [0,2,0,0,0,0|1,0,0]=3 2497 B9R1.6 CC(c1ccccc1)N 1P00369W [0,2,0,0,0,0|1,0,0]=3 2498 B9R1.6 CC(c1ccccc1)N 1P009X79 [0,2,0,0,0,0|1,0,0]=3 2499 B9R1.6 CC(c1ccccc1)S 1P003COW [0,2,0,0,0,0|0,1,0]=3 2500 B9R1.6 CC(c1ccccn1)Br 1P005XKU [0,2,0,0,0,0|2,0,0]=4 2501 B9R1.6 CC(c1ccccn1)Br 1P019XVD [0,2,0,0,0,0|2,0,0]=4 2502 B9R1.6 CC(c1ccccn1)C 1P00E98K [0,2,0,0,0,0|2,0,0]=4 2503 B9R1.6 CC(c1ccccn1)Cl 1P00AO5F [0,2,0,0,0,0|2,0,0]=4 2504 B9R1.6 CC(c1ccccn1)N 1P0039UO [0,2,0,0,0,0|2,0,0]=4 2505 B9R1.6 CC(c1ccccn1)N 1P003DC9 [0,2,0,0,0,0|2,0,0]=4 2506 B9R1.6 CC(c1ccccn1)O 1P003F63 [0,2,0,0,0,0|1,0,0]=3 2507 B9R1.6 CC(c1cccnc1)Br 1P019XJX [0,2,0,0,0,0|2,0,0]=4 2508 B9R1.6 CC(c1cccnc1)Cl 1P0169EF [0,2,0,0,0,0|2,0,0]=4 2509 B9R1.6 CC(c1cccnc1)N 1P000HRO [0,2,0,0,0,0|2,0,0]=4 2510 B9R1.6 CC(c1cccnc1)N 1P003DEG [0,2,0,0,0,0|2,0,0]=4 2511 B9R1.6 CC(c1cccnc1)O 1P003IG7 [0,2,0,0,0,0|1,0,0]=3 2512 B9R1.6 CC(c1cccnn1)O 1P00HZKK [0,2,0,0,0,0|2,0,0]=4 2513 B9R1.6 CC(c1ccncc1)Br 1P019XJY [0,2,0,0,0,0|2,0,0]=4 2514 B9R1.6 CC(c1ccncc1)C 1P003M2H [0,2,0,0,0,0|2,0,0]=4 2515 B9R1.6 CC(c1ccncc1)Cl 1P0169EG [0,2,0,0,0,0|2,0,0]=4 2516 B9R1.6 CC(c1ccncc1)N 1P001ZXP [0,2,0,0,0,0|2,0,0]=4 2517 B9R1.6 CC(c1ccncc1)N 1P003DHP [0,2,0,0,0,0|2,0,0]=4 2518 B9R1.6 CC(c1ccncc1)N 1P01C1JO [0,2,0,0,0,0|2,0,0]=4 2519 B9R1.6 CC(c1ccncc1)O 1P002NIX [0,2,0,0,0,0|1,0,0]=3 2520 B9R1.6 CC(c1ccnnc1)O 1P0282XW [0,2,0,0,0,0|2,0,0]=4 2521 B9R1.6 CC(c1cnccn1)O 1P00IIZX [0,2,0,0,0,0|2,0,0]=4 2522 B9R1.6 CC(c1cncnc1)O 1P00G5BU [0,2,0,0,0,0|2,0,0]=4 2523 B9R1.6 CC(c1ncccn1)O 1P00E3YR [0,2,0,0,0,0|2,0,0]=4 2524 B9R1.6 CN(c1ccccc1)C 1P003T1K [0,2,0,0,0,0|1,0,0]=3 2525 B9R1.6 CN(c1ccccc1)N 1P003EY0 [0,2,0,0,0,0|1,0,0]=3 2526 B9R1.6 CN(c1ccccc1)N 1P00EKZW [0,2,0,0,0,0|1,0,0]=3 2527 B9R1.6 CN(c1ccccn1)C 1P003BOB [0,2,0,0,0,0|2,0,0]=4 2528 B9R1.6 CN(c1ccccn1)N 1P00736N [0,2,0,0,0,0|2,0,0]=4 2529 B9R1.6 CN(c1cccnc1)C 1P0075WN [0,2,0,0,0,0|2,0,0]=4 2530 B9R1.6 CN(c1ccncc1)C 1P0034HE [0,2,0,0,0,0|2,0,0]=4 2531 B9R1.6 CN(c1ccncc1)C 1P003LRE [0,2,0,0,0,0|2,0,0]=4 2532 B9R1.6 CN(c1ccncc1)N 1P01E1AT [0,2,0,0,0,0|2,0,0]=4 2533 B9R1.6 CP(c1ccccc1)C 1P003Q45 [0,2,0,0,0,0|1,0,0]=3 2534 B9R1.6 CP(c1ccccc1)C 1P00BHDQ [0,2,0,0,0,0|1,0,0]=3 2535 B9R1.6 CP(c1ccncc1)C 1P028LIG [0,2,0,0,0,0|2,0,0]=4 2536 B9R1.6 CS(=O)c1ccccc1 1P000J0D [0,2,0,0,0,0|0,0,1]=3 2537 B9R1.6 CS(=O)c1ccccn1 1P006YWW [0,2,0,0,0,0|1,0,1]=4 2538 B9R1.6 C[C@@H](c1ccccc1)N 1P0032WG [0,2,0,0,0,0|1,0,0]=3 2539 B9R1.6 C[C@@H](c1ccccc1)O 1P00HXJL [0,2,0,0,0,0|0,0,0]=2 2540 B9R1.6 C[C@@H](c1ccccc1)S 1P01BVUY [0,2,0,0,0,0|0,1,0]=3 2541 B9R1.6 C[C@@H](c1ccccn1)N 1P002VEV [0,2,0,0,0,0|2,0,0]=4 2542 B9R1.6 C[C@@H](c1ccccn1)N 1P00CJBI [0,2,0,0,0,0|2,0,0]=4 2543 B9R1.6 C[C@@H](c1ccccn1)O 1P003CZH [0,2,0,0,0,0|1,0,0]=3 2544 B9R1.6 C[C@@H](c1cccnc1)N 1P002VEU [0,2,0,0,0,0|2,0,0]=4 2545 B9R1.6 C[C@@H](c1cccnc1)N 1P00I8C2 [0,2,0,0,0,0|2,0,0]=4 2546 B9R1.6 C[C@@H](c1cccnc1)O 1P003CZF [0,2,0,0,0,0|1,0,0]=3 2547 B9R1.6 C[C@@H](c1ccncc1)N 1P002VET [0,2,0,0,0,0|2,0,0]=4 2548 B9R1.6 C[C@@H](c1ccncc1)N 1P00CNEB [0,2,0,0,0,0|2,0,0]=4 2549 B9R1.6 C[C@@H](c1ccncc1)O 1P003CZI [0,2,0,0,0,0|1,0,0]=3 2550 B9R1.6 C[C@@H](c1ccncn1)O 1P01C1ND [0,2,0,0,0,0|2,0,0]=4 2551 B9R1.6 C[C@@H](c1cnccn1)O 1P01AJZA [0,2,0,0,0,0|2,0,0]=4 2552 B9R1.6 C[C@@H](c1ncccn1)O 1P01JV8C [0,2,0,0,0,0|2,0,0]=4 2553 B9R1.6 C[C@H](c1ccccc1)N 1P0032UU [0,2,0,0,0,0|1,0,0]=3 2554 B9R1.6 C[C@H](c1ccccc1)N 1P00BC58 [0,2,0,0,0,0|1,0,0]=3 2555 B9R1.6 C[C@H](c1ccccc1)O 1P0032UN [0,2,0,0,0,0|0,0,0]=2 2556 B9R1.6 C[C@H](c1ccccc1)S 1P01DWTD [0,2,0,0,0,0|0,1,0]=3 2557 B9R1.6 C[C@H](c1ccccn1)N 1P009I22 [0,2,0,0,0,0|2,0,0]=4 2558 B9R1.6 C[C@H](c1ccccn1)N 1P00DBIS [0,2,0,0,0,0|2,0,0]=4 2559 B9R1.6 C[C@H](c1ccccn1)O 1P0032W5 [0,2,0,0,0,0|1,0,0]=3 2560 B9R1.6 C[C@H](c1cccnc1)N 1P000DVB [0,2,0,0,0,0|2,0,0]=4 2561 B9R1.6 C[C@H](c1cccnc1)N 1P00CKTS [0,2,0,0,0,0|2,0,0]=4 2562 B9R1.6 C[C@H](c1cccnc1)N 1P00I8C1 [0,2,0,0,0,0|2,0,0]=4 2563 B9R1.6 C[C@H](c1cccnc1)O 1P003CNM [0,2,0,0,0,0|1,0,0]=3 2564 B9R1.6 C[C@H](c1cccnn1)O 1P024TVV [0,2,0,0,0,0|2,0,0]=4 2565 B9R1.6 C[C@H](c1ccncc1)N 1P0004FL [0,2,0,0,0,0|2,0,0]=4 2566 B9R1.6 C[C@H](c1ccncc1)N 1P00DLCH [0,2,0,0,0,0|2,0,0]=4 2567 B9R1.6 C[C@H](c1ccncc1)O 1P002VEW [0,2,0,0,0,0|1,0,0]=3 2568 B9R1.6 C[C@H](c1cnccn1)O 1P01AJZ9 [0,2,0,0,0,0|2,0,0]=4 2569 B9R1.6 C[C@H](c1ncccn1)O 1P00CKTT [0,2,0,0,0,0|2,0,0]=4 2570 B9R1.6 C[Si](c1ccccc1)C 1P00358B [0,2,0,0,0,0|1,0,0]=3 2571 B9R1.6 ClB(c1ccccc1)Cl 1P004HX5 [0,2,0,0,0,0|1,0,0]=3 2572 B9R1.6 ClC(=O)c1ccccc1 1P00374M [0,2,0,0,0,0|0,0,1]=3 2573 B9R1.6 ClC(=O)c1ccccn1 1P002ZQS [0,2,0,0,0,0|1,0,1]=4 2574 B9R1.6 ClC(=O)c1ccccn1 1P003UJ3 [0,2,0,0,0,0|1,0,1]=4 2575 B9R1.6 ClC(=O)c1cccnc1 1P0028T1 [0,2,0,0,0,0|1,0,1]=4 2576 B9R1.6 ClC(=O)c1cccnc1 1P008RIG [0,2,0,0,0,0|1,0,1]=4 2577 B9R1.6 ClC(=O)c1ccncc1 1P003RKP [0,2,0,0,0,0|1,0,1]=4 2578 B9R1.6 ClC(=S)c1ccccc1 1P01E7HC [0,2,0,0,0,0|0,1,0]=3 2579 B9R1.6 ClC(c1ccccc1)Cl 1P00IKXY [0,2,0,0,0,0|1,0,0]=3 2580 B9R1.6 ClC(c1ccccn1)Cl 1P00DBTE [0,2,0,0,0,0|2,0,0]=4 2581 B9R1.6 ClP(c1ccccc1)Cl 1P0035XX [0,2,0,0,0,0|1,0,0]=3 2582 B9R1.6 ClS(=O)c1ccccc1 1P00DHD9 [0,2,0,0,0,0|0,0,1]=3 2583 B9R1.6 Cl[I](c1ccccc1)Cl 1P0037A2 [0,2,0,0,0,0|1,0,0]=3 2584 B9R1.6 FC(=C)c1ccccc1 1P005W4Z [0,2,0,0,0,0|1,0,0]=3 2585 B9R1.6 FC(=O)c1ccccc1 1P00D8I4 [0,2,0,0,0,0|0,0,1]=3 2586 B9R1.6 FC(c1ccccc1)Br 1P020M24 [0,2,0,0,0,0|1,0,0]=3 2587 B9R1.6 FC(c1ccccc1)F 1P00DCHS [0,2,0,0,0,0|1,0,0]=3 2588 B9R1.6 FC(c1ccccn1)F 1P000EX6 [0,2,0,0,0,0|2,0,0]=4 2589 B9R1.6 FC(c1cccnc1)F 1P005KXX [0,2,0,0,0,0|2,0,0]=4 2590 B9R1.6 FC(c1ccncc1)F 1P003KO8 [0,2,0,0,0,0|2,0,0]=4 2591 B9R1.6 NC(=N)c1ccccc1 1P002J4G [0,2,0,0,0,0|1,0,0]=3 2592 B9R1.6 NC(=N)c1ccccc1 1P0034Y8 [0,2,0,0,0,0|1,0,0]=3 2593 B9R1.6 NC(=N)c1ccccc1 1P003OH8 [0,2,0,0,0,0|1,0,0]=3 2594 B9R1.6 NC(=N)c1ccccc1 1P00FJIS [0,2,0,0,0,0|1,0,0]=3 2595 B9R1.6 NC(=N)c1ccccn1 1P0035Y9 [0,2,0,0,0,0|2,0,0]=4 2596 B9R1.6 NC(=N)c1cccnc1 1P002N4J [0,2,0,0,0,0|2,0,0]=4 2597 B9R1.6 NC(=N)c1cccnc1 1P003KCV [0,2,0,0,0,0|2,0,0]=4 2598 B9R1.6 NC(=N)c1cccnc1 1P00EEAY [0,2,0,0,0,0|2,0,0]=4 2599 B9R1.6 NC(=N)c1ccncc1 1P0035IL [0,2,0,0,0,0|2,0,0]=4 2600 B9R1.6 NC(=N)c1ccncc1 1P00EDM3 [0,2,0,0,0,0|2,0,0]=4 2601 B9R1.6 NC(=O)c1ccccc1 1P00DOQ9 [0,2,0,0,0,0|0,0,1]=3 2602 B9R1.6 NC(=O)c1ccccn1 1P003U8O [0,2,0,0,0,0|1,0,1]=4 2603 B9R1.6 NC(=O)c1cccnc1 1P00IKH0 [0,2,0,0,0,0|1,0,1]=4 2604 B9R1.6 NC(=O)c1ccncc1 1P001L8G [0,2,0,0,0,0|1,0,1]=4 2605 B9R1.6 NC(=S)c1ccccc1 1P00365I [0,2,0,0,0,0|0,1,0]=3 2606 B9R1.6 NC(=S)c1ccccn1 1P00IA0A [0,2,0,0,0,0|1,1,0]=4 2607 B9R1.6 NC(=S)c1cccnc1 1P00I915 [0,2,0,0,0,0|1,1,0]=4 2608 B9R1.6 NC(=S)c1ccncc1 1P003V92 [0,2,0,0,0,0|1,1,0]=4 2609 B9R1.6 NS(=O)c1ccccc1 1P001SKC [0,2,0,0,0,0|0,0,1]=3 2610 B9R1.6 O=N(=O)c1ccccc1 1P003TLR [0,2,0,0,0,0|0,0,1]=3 2611 B9R1.6 OB(c1ccccc1)O 1P0035XS [0,2,0,0,0,0|0,0,0]=2 2612 B9R1.6 OB(c1ccccn1)O 1P002BN5 [0,2,0,0,0,0|1,0,0]=3 2613 B9R1.6 OB(c1cccnc1)O 1P001Z1A [0,2,0,0,0,0|1,0,0]=3 2614 B9R1.6 OB(c1cccnc1)O 1P002U6U [0,2,0,0,0,0|1,0,0]=3 2615 B9R1.6 OB(c1cccnn1)O 1P0039U9 [0,2,0,0,0,0|2,0,0]=4 2616 B9R1.6 OB(c1ccncc1)O 1P001Z1D [0,2,0,0,0,0|1,0,0]=3 2617 B9R1.6 OB(c1ccncc1)O 1P006O18 [0,2,0,0,0,0|1,0,0]=3 2618 B9R1.6 OB(c1ccncn1)O 1P0038UT [0,2,0,0,0,0|2,0,0]=4 2619 B9R1.6 OB(c1cncnc1)O 1P0034RT [0,2,0,0,0,0|2,0,0]=4 2620 B9R1.6 OB(c1nccnc1)O 1P005S03 [0,2,0,0,0,0|2,0,0]=4 2621 B9R1.6 OC(=O)c1ccccc1 1P0034YN [0,2,0,0,0,0|0,0,0]=2 2622 B9R1.6 OC(=O)c1ccccc1 1P003U1P [0,2,0,0,0,0|0,0,0]=2 2623 B9R1.6 OC(=O)c1ccccc1 1P0080KJ [0,2,0,0,0,0|0,0,0]=2 2624 B9R1.6 OC(=O)c1ccccc1 1P00GSC1 [0,2,0,0,0,0|0,0,0]=2 2625 B9R1.6 OC(=O)c1ccccc1 1P01JV1A [0,2,0,0,0,0|0,0,0]=2 2626 B9R1.6 OC(=O)c1ccccn1 1P0035Y8 [0,2,0,0,0,0|1,0,0]=3 2627 B9R1.6 OC(=O)c1ccccn1 1P003U8P [0,2,0,0,0,0|1,0,0]=3 2628 B9R1.6 OC(=O)c1cccnc1 1P00EZXS [0,2,0,0,0,0|1,0,0]=3 2629 B9R1.6 OC(=O)c1cccnc1 1P00IBTV [0,2,0,0,0,0|1,0,0]=3 2630 B9R1.6 OC(=O)c1cccnn1 1P00BCBL [0,2,0,0,0,0|2,0,0]=4 2631 B9R1.6 OC(=O)c1cccnn1 1P01Z9RM [0,2,0,0,0,0|2,0,0]=4 2632 B9R1.6 OC(=O)c1ccncc1 1P0035IK [0,2,0,0,0,0|1,0,0]=3 2633 B9R1.6 OC(=O)c1ccncn1 1P003UJM [0,2,0,0,0,0|2,0,0]=4 2634 B9R1.6 OC(=O)c1ccnnc1 1P0034LS [0,2,0,0,0,0|2,0,0]=4 2635 B9R1.6 OC(=O)c1cnccn1 1P0033WC [0,2,0,0,0,0|2,0,0]=4 2636 B9R1.6 OC(=O)c1cncnc1 1P003NF7 [0,2,0,0,0,0|2,0,0]=4 2637 B9R1.6 OC(=O)c1ncccn1 1P003UJL [0,2,0,0,0,0|2,0,0]=4 2638 B9R1.6 OC(=O)c1ncccn1 1P01AJVA [0,2,0,0,0,0|2,0,0]=4 2639 B9R1.6 OC(=S)c1ccccc1 1P00365J [0,2,0,0,0,0|0,0,0]=2 2640 B9R1.6 OP(=O)c1ccccc1 1P00262L [0,2,0,0,0,0|0,0,0]=2 2641 B9R1.6 OS(=O)c1ccccc1 1P00IBDR [0,2,0,0,0,0|0,0,0]=2 2642 B9R1.6 O[Se](=O)c1ccccc1 1P003OHL [0,2,0,0,0,0|0,0,0]=2 2643 B9R1.6 [O-]C(=O)c1ccccc1 1P001YXL [0,2,0,0,0,0|0,0,1]=3 2644 B9R1.6 [O-]C(=O)c1ccccc1 1P00361Z [0,2,0,0,0,0|0,0,1]=3 2645 B9R1.6 [O-]C(=O)c1ccccc1 1P003OB0 [0,2,0,0,0,0|0,0,1]=3 2646 B9R1.6 [O-]C(=O)c1ccccc1 1P003RRN [0,2,0,0,0,0|0,0,1]=3 2647 B9R1.6 [O-]C(=O)c1ccccc1 1P003UCI [0,2,0,0,0,0|0,0,1]=3 2648 B9R1.6 [O-]C(=O)c1ccccc1 1P003UPU [0,2,0,0,0,0|0,0,1]=3 2649 B9R1.6 [O-]C(=O)c1ccccc1 1P00C9FZ [0,2,0,0,0,0|0,0,1]=3 2650 B9R1.6 [O-]C(=O)c1ccccc1 1P00D9FZ [0,2,0,0,0,0|0,0,1]=3 2651 B9R1.6 [O-]C(=O)c1ccccc1 1P01DORW [0,2,0,0,0,0|0,0,1]=3 2652 B9R1.6 [O-]C(=O)c1ccccn1 1P001FPK [0,2,0,0,0,0|1,0,1]=4 2653 B9R1.6 [O-]C(=O)c1ccccn1 1P003PCW [0,2,0,0,0,0|1,0,1]=4 2654 B9R1.6 [O-]C(=O)c1ccccn1 1P003U8R [0,2,0,0,0,0|1,0,1]=4 2655 B9R1.6 [O-]C(=O)c1cccnc1 1P003UTW [0,2,0,0,0,0|1,0,1]=4 2656 B9R1.6 [O-]C(=O)c1ccncc1 1P003US2 [0,2,0,0,0,0|1,0,1]=4 2657 B9R1.6 [O-]S(=O)c1ccccc1 1P002RKI [0,2,0,0,0,0|0,0,1]=3 2658 B9R1.6 [O-]S(=O)c1ccccc1 1P00388M [0,2,0,0,0,0|0,0,1]=3 2659 B9R1.6 [O-]S(=O)c1ccccc1 1P004L8X [0,2,0,0,0,0|0,0,1]=3 2660 B9R1.6 [O-]S(=O)c1ccccn1 1P00I55G [0,2,0,0,0,0|1,0,1]=4 2661 B9R1.6 [O-]S(=O)c1ccccn1 1P01AGPS [0,2,0,0,0,0|1,0,1]=4 2662 B9R1.6 [O-]S(=O)c1cccnc1 1P00A6VE [0,2,0,0,0,0|1,0,1]=4 2663 B9R1.6 [O-]S(=O)c1cccnc1 1P027XAI [0,2,0,0,0,0|1,0,1]=4 2664 B9R1.6 [O-]S(=O)c1ccncc1 1P01FNTD [0,2,0,0,0,0|1,0,1]=4 2665 B9R1.6 [O-][N+](=O)c1ccccn1 1P001MRG [0,2,0,0,0,0|1,0,1]=4 2666 B9R1.6 [O-][N+](=O)c1cccnc1 1P003KAJ [0,2,0,0,0,0|1,0,1]=4 2667 B9R1.6 [O-][N+](=O)c1ccncc1 1P007C8Z [0,2,0,0,0,0|1,0,1]=4 2668 B9R1.8 BrC#Cc1ccccc1 1P00GZ49 [0,2,0,0,0,0|1,0,0]=3 2669 B9R1.8 BrCCc1ccccc1 1P003EKU [0,2,0,0,0,0|1,0,0]=3 2670 B9R1.8 BrCCc1ccccn1 1P0033B6 [0,2,0,0,0,0|2,0,0]=4 2671 B9R1.8 BrCCc1cccnc1 1P00CJF9 [0,2,0,0,0,0|2,0,0]=4 2672 B9R1.8 BrCCc1ccncc1 1P01BGQT [0,2,0,0,0,0|2,0,0]=4 2673 B9R1.8 Br\C=C/c1cccnc1 1P00A7DJ [0,2,0,0,0,0|2,0,0]=4 2674 B9R1.8 Br\C=C\c1ccccc1 1P003OMN [0,2,0,0,0,0|1,0,0]=3 2675 B9R1.8 C#C[I+2]=C1[CH-]C=CC=C1 1P000XUX [0,2,0,0,0,0|1,0,1]=4 2676 B9R1.8 C=CCc1ccccc1 1P003O6X [0,2,0,0,0,0|1,0,0]=3 2677 B9R1.8 C=CCc1cccnc1 1P005DFA [0,2,0,0,0,0|2,0,0]=4 2678 B9R1.8 C=COc1ccccc1 1P005W2F [0,2,0,0,0,0|0,0,0]=2 2679 B9R1.8 C=COc1cccnc1 1P009TFJ [0,2,0,0,0,0|1,0,0]=3 2680 B9R1.8 C=CSc1ccccc1 1P0023XU [0,2,0,0,0,0|0,1,0]=3 2681 B9R1.8 CC#Cc1ccccc1 1P000515 [0,2,0,0,0,0|1,0,0]=3 2682 B9R1.8 CCC[n+]1ccccc1 1P002N7W [0,2,0,0,0,0|2,0,0]=4 2683 B9R1.8 CCCc1ccccc1 1P003UGP [0,2,0,0,0,0|1,0,0]=3 2684 B9R1.8 CCCc1ccccn1 1P003IDJ [0,2,0,0,0,0|2,0,0]=4 2685 B9R1.8 CCCc1cccnc1 1P00DG48 [0,2,0,0,0,0|2,0,0]=4 2686 B9R1.8 CCCc1ccncc1 1P003MH0 [0,2,0,0,0,0|2,0,0]=4 2687 B9R1.8 CCNc1ccccc1 1P0035UD [0,2,0,0,0,0|1,0,0]=3 2688 B9R1.8 CCNc1ccccn1 1P003FIU [0,2,0,0,0,0|2,0,0]=4 2689 B9R1.8 CCNc1cccnc1 1P00CN8W [0,2,0,0,0,0|2,0,0]=4 2690 B9R1.8 CCNc1ccncc1 1P00I7EH [0,2,0,0,0,0|2,0,0]=4 2691 B9R1.8 CCOc1ccccc1 1P003U4U [0,2,0,0,0,0|0,0,0]=2 2692 B9R1.8 CCOc1ccccn1 1P001L8A [0,2,0,0,0,0|1,0,0]=3 2693 B9R1.8 CCOc1cccnc1 1P00ANFG [0,2,0,0,0,0|1,0,0]=3 2694 B9R1.8 CCOc1cccnn1 1P003HNA [0,2,0,0,0,0|2,0,0]=4 2695 B9R1.8 CCOc1ccncc1 1P00C0Z1 [0,2,0,0,0,0|1,0,0]=3 2696 B9R1.8 CCSc1ccccc1 1P003QX8 [0,2,0,0,0,0|0,1,0]=3 2697 B9R1.8 CCSc1ccccn1 1P002EQQ [0,2,0,0,0,0|1,1,0]=4 2698 B9R1.8 CNCc1ccccc1 1P0035T0 [0,2,0,0,0,0|1,0,0]=3 2699 B9R1.8 CNCc1ccccn1 1P002L6V [0,2,0,0,0,0|2,0,0]=4 2700 B9R1.8 CNCc1ccccn1 1P00H9TS [0,2,0,0,0,0|2,0,0]=4 2701 B9R1.8 CNCc1cccnc1 1P003IN0 [0,2,0,0,0,0|2,0,0]=4 2702 B9R1.8 CNCc1cccnc1 1P00JLQD [0,2,0,0,0,0|2,0,0]=4 2703 B9R1.8 CNCc1ccncc1 1P003TOO [0,2,0,0,0,0|2,0,0]=4 2704 B9R1.8 CNCc1ccncc1 1P009DU1 [0,2,0,0,0,0|2,0,0]=4 2705 B9R1.8 CNNc1ccccc1 1P00H3DS [0,2,0,0,0,0|1,0,0]=3 2706 B9R1.8 COCc1ccccc1 1P003OL0 [0,2,0,0,0,0|0,0,0]=2 2707 B9R1.8 COCc1ccccn1 1P002O7L [0,2,0,0,0,0|1,0,0]=3 2708 B9R1.8 COCc1ccncc1 1P00FGIA [0,2,0,0,0,0|1,0,0]=3 2709 B9R1.8 CSCc1ccccc1 1P003OL2 [0,2,0,0,0,0|0,1,0]=3 2710 B9R1.8 CSCc1ccccn1 1P00K0NO [0,2,0,0,0,0|1,1,0]=4 2711 B9R1.8 CSCc1cccnc1 1P01DX2J [0,2,0,0,0,0|1,1,0]=4 2712 B9R1.8 C\C=C/c1ccccc1 1P003PGJ [0,2,0,0,0,0|1,0,0]=3 2713 B9R1.8 C\C=C\c1ccccc1 1P003VFF [0,2,0,0,0,0|1,0,0]=3 2714 B9R1.8 C\N=C\c1ccccc1 1P003T8J [0,2,0,0,0,0|1,0,0]=3 2715 B9R1.8 ClCCc1ccccc1 1P0032NZ [0,2,0,0,0,0|1,0,0]=3 2716 B9R1.8 ClCCc1ccccn1 1P00AQES [0,2,0,0,0,0|2,0,0]=4 2717 B9R1.8 ClCCc1ccccn1 1P00CB7K [0,2,0,0,0,0|2,0,0]=4 2718 B9R1.8 ClCCc1cccnc1 1P00CLVG [0,2,0,0,0,0|2,0,0]=4 2719 B9R1.8 ClCCc1ccncc1 1P00G7HW [0,2,0,0,0,0|2,0,0]=4 2720 B9R1.8 ClCSc1ccccc1 1P003PAU [0,2,0,0,0,0|0,1,0]=3 2721 B9R1.8 ClC[SiH2]c1ccccc1 1P001U85 [0,2,0,0,0,0|1,0,0]=3 2722 B9R1.8 IC#Cc1ccccc1 1P006HO6 [0,2,0,0,0,0|1,0,0]=3 2723 B9R1.8 ICCc1ccccc1 1P001ZMC [0,2,0,0,0,0|1,0,0]=3 2724 B9R1.8 ICCc1cccnc1 1P01APKH [0,2,0,0,0,0|2,0,0]=4 2725 B9R1.8 N#CC[n+]1ccccc1 1P003SUV [0,2,0,0,0,0|2,0,0]=4 2726 B9R1.8 N#CC[n+]1ccccc1 1P01EYAJ [0,2,0,0,0,0|2,0,0]=4 2727 B9R1.8 N#CCc1ccccn1 1P0033WF [0,2,0,0,0,0|2,0,0]=4 2728 B9R1.8 N#CCc1cccnc1 1P003FL3 [0,2,0,0,0,0|2,0,0]=4 2729 B9R1.8 N#CCc1ccncc1 1P000W7U [0,2,0,0,0,0|2,0,0]=4 2730 B9R1.8 N#CCc1ccncc1 1P003MHC [0,2,0,0,0,0|2,0,0]=4 2731 B9R1.8 N#CNc1ccccc1 1P00F3HT [0,2,0,0,0,0|1,0,0]=3 2732 B9R1.8 N#COc1ccccc1 1P003U5M [0,2,0,0,0,0|0,0,0]=2 2733 B9R1.8 N#CSc1ccccc1 1P00E15Y [0,2,0,0,0,0|0,1,0]=3 2734 B9R1.8 NCCc1ccccc1 1P001OVX [0,2,0,0,0,0|1,0,0]=3 2735 B9R1.8 NCCc1ccccc1 1P00AL3F [0,2,0,0,0,0|1,0,0]=3 2736 B9R1.8 NCCc1ccccn1 1P0033BC [0,2,0,0,0,0|2,0,0]=4 2737 B9R1.8 NCCc1cccnc1 1P0031LS [0,2,0,0,0,0|2,0,0]=4 2738 B9R1.8 NCCc1cccnc1 1P007RI3 [0,2,0,0,0,0|2,0,0]=4 2739 B9R1.8 NCCc1cccnc1 1P00G4HF [0,2,0,0,0,0|2,0,0]=4 2740 B9R1.8 NCCc1ccncc1 1P0011CE [0,2,0,0,0,0|2,0,0]=4 2741 B9R1.8 NCCc1ccncc1 1P00EB7D [0,2,0,0,0,0|2,0,0]=4 2742 B9R1.8 NNCc1ccccc1 1P002AS6 [0,2,0,0,0,0|1,0,0]=3 2743 B9R1.8 NNCc1ccccc1 1P003OLM [0,2,0,0,0,0|1,0,0]=3 2744 B9R1.8 NNCc1ccccc1 1P00VUSV [0,2,0,0,0,0|1,0,0]=3 2745 B9R1.8 NNCc1ccccn1 1P00BJY5 [0,2,0,0,0,0|2,0,0]=4 2746 B9R1.8 NNCc1ccccn1 1P00IG9V [0,2,0,0,0,0|2,0,0]=4 2747 B9R1.8 NNCc1cccnc1 1P0033XM [0,2,0,0,0,0|2,0,0]=4 2748 B9R1.8 NNCc1cccnc1 1P00EM3P [0,2,0,0,0,0|2,0,0]=4 2749 B9R1.8 NNCc1cccnc1 1P00FT0X [0,2,0,0,0,0|2,0,0]=4 2750 B9R1.8 NNCc1ccncc1 1P00GVVL [0,2,0,0,0,0|2,0,0]=4 2751 B9R1.8 NOCc1ccccc1 1P0035W0 [0,2,0,0,0,0|0,0,0]=2 2752 B9R1.8 NOCc1ccccc1 1P003TWF [0,2,0,0,0,0|0,0,0]=2 2753 B9R1.8 NOCc1ccccn1 1P01C2PM [0,2,0,0,0,0|1,0,0]=3 2754 B9R1.8 NOCc1cccnc1 1P00I7X0 [0,2,0,0,0,0|1,0,0]=3 2755 B9R1.8 N\N=C\c1ccccc1 1P00DGB6 [0,2,0,0,0,0|1,0,0]=3 2756 B9R1.8 O=C=Nc1ccccn1 1P00DM5D [0,2,0,0,0,0|1,0,1]=4 2757 B9R1.8 O=C=Nc1cccnc1 1P003477 [0,2,0,0,0,0|1,0,1]=4 2758 B9R1.8 O=CCc1ccccc1 1P00170M [0,2,0,0,0,0|0,0,1]=3 2759 B9R1.8 O=CNc1ccccc1 1P003R5D [0,2,0,0,0,0|0,0,1]=3 2760 B9R1.8 O=CNc1ccccn1 1P00C130 [0,2,0,0,0,0|1,0,1]=4 2761 B9R1.8 O=COc1ccccc1 1P0035XN [0,2,0,0,0,0|0,0,0]=2 2762 B9R1.8 O=S=Nc1ccccc1 1P003TUI [0,2,0,0,0,0|0,0,1]=3 2763 B9R1.8 OCCc1ccccc1 1P0033W3 [0,2,0,0,0,0|0,0,0]=2 2764 B9R1.8 OCCc1ccccn1 1P0038HY [0,2,0,0,0,0|1,0,0]=3 2765 B9R1.8 OCCc1cccnc1 1P003FB1 [0,2,0,0,0,0|1,0,0]=3 2766 B9R1.8 OCCc1ccncc1 1P003FL5 [0,2,0,0,0,0|1,0,0]=3 2767 B9R1.8 OCCc1ccncc1 1P00CHZZ [0,2,0,0,0,0|1,0,0]=3 2768 B9R1.8 OCCc1ccncn1 1P005N7W [0,2,0,0,0,0|2,0,0]=4 2769 B9R1.8 OCCc1cnccn1 1P003F8L [0,2,0,0,0,0|2,0,0]=4 2770 B9R1.8 OCCc1cncnc1 1P008CL3 [0,2,0,0,0,0|2,0,0]=4 2771 B9R1.8 OCCc1ncccn1 1P000AX7 [0,2,0,0,0,0|2,0,0]=4 2772 B9R1.8 ON=Cc1ccccn1 1P000PNF [0,2,0,0,0,0|1,0,0]=3 2773 B9R1.8 ON=Cc1cccnc1 1P000J0C [0,2,0,0,0,0|1,0,0]=3 2774 B9R1.8 ON=Cc1cccnn1 1P028I9I [0,2,0,0,0,0|2,0,0]=4 2775 B9R1.8 ON=Cc1ccncc1 1P003MH3 [0,2,0,0,0,0|1,0,0]=3 2776 B9R1.8 ON=Cc1cnccn1 1P028X05 [0,2,0,0,0,0|2,0,0]=4 2777 B9R1.8 ONCc1ccccc1 1P002ZBQ [0,2,0,0,0,0|0,0,0]=2 2778 B9R1.8 ONCc1ccccc1 1P003920 [0,2,0,0,0,0|0,0,0]=2 2779 B9R1.8 O\N=C/c1ccccc1 1P00EASV [0,2,0,0,0,0|0,0,0]=2 2780 B9R1.8 O\N=C\c1ccccc1 1P003OH6 [0,2,0,0,0,0|0,0,0]=2 2781 B9R1.8 O\N=C\c1ccccn1 1P003UJ6 [0,2,0,0,0,0|1,0,0]=3 2782 B9R1.8 O\N=C\c1ccncc1 1P00AZF2 [0,2,0,0,0,0|1,0,0]=3 2783 B9R1.8 O\N=C\c1ccncn1 1P00954Y [0,2,0,0,0,0|2,0,0]=4 2784 B9R1.8 S=C=Nc1ccccc1 1P003RMC [0,2,0,0,0,0|0,1,0]=3 2785 B9R1.8 S=C=Nc1cccnc1 1P00207D [0,2,0,0,0,0|1,1,0]=4 2786 B9R1.8 S=C=Nc1ccncc1 1P0058C7 [0,2,0,0,0,0|1,1,0]=4 2787 B9R1.8 SCCc1ccccc1 1P00DCX2 [0,2,0,0,0,0|0,1,0]=3 2788 B9R1.8 SCCc1ccccn1 1P0029Y7 [0,2,0,0,0,0|1,1,0]=4 2789 B9R1.8 SCCc1ccncc1 1P003MH7 [0,2,0,0,0,0|1,1,0]=4 2790 B9R1.8 [C-]#[N+]Cc1ccccc1 1P003OKW [0,2,0,0,0,0|1,0,0]=3 2791 B9R1.8 [C-]#[N+]Cc1cccnc1 1P00EAA0 [0,2,0,0,0,0|2,0,0]=4 2792 B9R1.8 [C-]#[N+]Cc1ccncc1 1P00EBP6 [0,2,0,0,0,0|2,0,0]=4 2793 B9R1.8 [CH2-]\C=C\c1ccccc1 1P0035WW [0,2,0,0,0,0|1,0,0]=3 2794 B9R1.8 [Cu]C#Cc1ccccc1 1P000WOP [0,2,0,0,0,0|1,0,0]=3 2795 B9R1.8 [N-]=[N+]=Cc1ccccc1 1P008PXQ [0,2,0,0,0,0|1,0,0]=3 2796 B9R1.8 [N-]=[N+]=Nc1ccccc1 1P003OEN [0,2,0,0,0,0|1,0,0]=3 2797 B9R1.8 [N-]=[N+]=Nc1ccccn1 1P01AMK5 [0,2,0,0,0,0|2,0,0]=4 2798 B9R1.8 [N-]=[N+]=Nc1cccnc1 1P01AB18 [0,2,0,0,0,0|2,0,0]=4 2799 B9R1.8 [N-]=[N+]=Nc1ccncc1 1P01BF7Y [0,2,0,0,0,0|2,0,0]=4 2800 B9R1.15 BrCc1ccccc1Br 1P0033MT [0,2,0,0,0,0|1,0,0]=3 2801 B9R1.15 BrCc1ccccc1C 1P0032QO [0,2,0,0,0,0|1,0,0]=3 2802 B9R1.15 BrCc1ccccc1Cl 1P00IB9Q [0,2,0,0,0,0|1,0,0]=3 2803 B9R1.15 BrCc1ccccc1F 1P0033SD [0,2,0,0,0,0|1,0,0]=3 2804 B9R1.15 BrCc1ccccc1I 1P0073H5 [0,2,0,0,0,0|1,0,0]=3 2805 B9R1.15 BrCc1cccnc1Br 1P003H34 [0,2,0,0,0,0|2,0,0]=4 2806 B9R1.15 BrCc1cccnc1Br 1P01K18U [0,2,0,0,0,0|2,0,0]=4 2807 B9R1.15 BrCc1cccnc1C 1P0019R8 [0,2,0,0,0,0|2,0,0]=4 2808 B9R1.15 BrCc1cccnc1Cl 1P003INP [0,2,0,0,0,0|2,0,0]=4 2809 B9R1.15 BrCc1cccnc1F 1P0030IZ [0,2,0,0,0,0|2,0,0]=4 2810 B9R1.15 BrCc1cccnc1N 1P01BH5R [0,2,0,0,0,0|2,0,0]=4 2811 B9R1.15 BrCc1ccncc1Br 1P01BSNB [0,2,0,0,0,0|2,0,0]=4 2812 B9R1.15 BrCc1ccncc1C 1P01KKKR [0,2,0,0,0,0|2,0,0]=4 2813 B9R1.15 BrCc1ccncc1Cl 1P01AD9N [0,2,0,0,0,0|2,0,0]=4 2814 B9R1.15 BrCc1ccncc1F 1P024V4W [0,2,0,0,0,0|2,0,0]=4 2815 B9R1.15 BrCc1cnccc1C 1P0019R7 [0,2,0,0,0,0|2,0,0]=4 2816 B9R1.15 BrCc1cnccc1Cl 1P027ZHG [0,2,0,0,0,0|2,0,0]=4 2817 B9R1.15 BrCc1cnccc1O 1P0291ZL [0,2,0,0,0,0|1,0,0]=3 2818 B9R1.15 BrCc1ncccc1Br 1P003AGB [0,2,0,0,0,0|2,0,0]=4 2819 B9R1.15 BrCc1ncccc1Br 1P01DX0S [0,2,0,0,0,0|2,0,0]=4 2820 B9R1.15 BrCc1ncccc1C 1P0091H2 [0,2,0,0,0,0|2,0,0]=4 2821 B9R1.15 BrCc1ncccc1Cl 1P000JRC [0,2,0,0,0,0|2,0,0]=4 2822 B9R1.15 BrCc1ncccc1F 1P0017JV [0,2,0,0,0,0|2,0,0]=4 2823 B9R1.15 BrCc1ncccc1F 1P009E6T [0,2,0,0,0,0|2,0,0]=4 2824 B9R1.15 Br[Mg]c1ccccc1C 1P00IKYX [0,2,0,0,0,0|1,0,0]=3 2825 B9R1.15 C#Cc1ccccc1Br 1P0033NH [0,2,0,0,0,0|1,0,0]=3 2826 B9R1.15 C#Cc1ccccc1Cl 1P003379 [0,2,0,0,0,0|1,0,0]=3 2827 B9R1.15 C#Cc1ccccc1F 1P003ESB [0,2,0,0,0,0|1,0,0]=3 2828 B9R1.15 C#Cc1ccccc1N 1P00DG3G [0,2,0,0,0,0|1,0,0]=3 2829 B9R1.15 C#Cc1ccccc1O 1P006V78 [0,2,0,0,0,0|0,0,0]=2 2830 B9R1.15 C#Cc1cccnc1Br 1P01Q8N6 [0,2,0,0,0,0|2,0,0]=4 2831 B9R1.15 C#Cc1cccnc1C 1P01DWS5 [0,2,0,0,0,0|2,0,0]=4 2832 B9R1.15 C#Cc1cccnc1Cl 1P008XA5 [0,2,0,0,0,0|2,0,0]=4 2833 B9R1.15 C#Cc1cccnc1F 1P00II22 [0,2,0,0,0,0|2,0,0]=4 2834 B9R1.15 C#Cc1cccnc1N 1P00IC61 [0,2,0,0,0,0|2,0,0]=4 2835 B9R1.15 C#Cc1cccnc1O 1P009GXT [0,2,0,0,0,0|1,0,0]=3 2836 B9R1.15 C#Cc1ccncc1Br 1P023PDN [0,2,0,0,0,0|2,0,0]=4 2837 B9R1.15 C#Cc1ccncc1C 1P01QLIR [0,2,0,0,0,0|2,0,0]=4 2838 B9R1.15 C#Cc1ccncc1Cl 1P01DD7W [0,2,0,0,0,0|2,0,0]=4 2839 B9R1.15 C#Cc1ccncc1F 1P01B9QZ [0,2,0,0,0,0|2,0,0]=4 2840 B9R1.15 C#Cc1cnccc1C 1P00C31H [0,2,0,0,0,0|2,0,0]=4 2841 B9R1.15 C#Cc1cnccc1Cl 1P01C3NO [0,2,0,0,0,0|2,0,0]=4 2842 B9R1.15 C#Cc1cnccc1N 1P01FPD6 [0,2,0,0,0,0|2,0,0]=4 2843 B9R1.15 C#Cc1ncccc1Br 1P00IK9U [0,2,0,0,0,0|2,0,0]=4 2844 B9R1.15 C#Cc1ncccc1C 1P0030IS [0,2,0,0,0,0|2,0,0]=4 2845 B9R1.15 C#Cc1ncccc1Cl 1P018PQD [0,2,0,0,0,0|2,0,0]=4 2846 B9R1.15 C#Cc1ncccc1F 1P00HW89 [0,2,0,0,0,0|2,0,0]=4 2847 B9R1.15 C#Cc1ncccc1N 1P01K10R [0,2,0,0,0,0|2,0,0]=4 2848 B9R1.15 C=Cc1ccccc1Br 1P0029NZ [0,2,0,0,0,0|1,0,0]=3 2849 B9R1.15 C=Cc1ccccc1Cl 1P0029O0 [0,2,0,0,0,0|1,0,0]=3 2850 B9R1.15 C=Cc1ccccc1F 1P0033SL [0,2,0,0,0,0|1,0,0]=3 2851 B9R1.15 C=Cc1ccccc1I 1P006XAK [0,2,0,0,0,0|1,0,0]=3 2852 B9R1.15 C=Cc1ccccc1N 1P0037RP [0,2,0,0,0,0|1,0,0]=3 2853 B9R1.15 C=Cc1ccccc1N 1P00775F [0,2,0,0,0,0|1,0,0]=3 2854 B9R1.15 C=Cc1cccnc1C 1P00I8ZR [0,2,0,0,0,0|2,0,0]=4 2855 B9R1.15 C=Cc1cccnc1F 1P00HX8N [0,2,0,0,0,0|2,0,0]=4 2856 B9R1.15 C=Cc1ccncc1Br 1P028WIA [0,2,0,0,0,0|2,0,0]=4 2857 B9R1.15 C=Cc1ccncc1C 1P01C42S [0,2,0,0,0,0|2,0,0]=4 2858 B9R1.15 C=Cc1ncccc1Br 1P004ZQ3 [0,2,0,0,0,0|2,0,0]=4 2859 B9R1.15 C=Cc1ncccc1C 1P00CC7K [0,2,0,0,0,0|2,0,0]=4 2860 B9R1.15 C=Cc1ncccc1F 1P01B626 [0,2,0,0,0,0|2,0,0]=4 2861 B9R1.15 CC[n+]1ccccc1Br 1P003H2Q [0,2,0,0,0,0|2,0,0]=4 2862 B9R1.15 CC[n+]1ccccc1C 1P00IMY1 [0,2,0,0,0,0|2,0,0]=4 2863 B9R1.15 CCc1c[nH]ccc1=N 1P01AIO6 [0,2,0,0,0,0|2,0,0]=4 2864 B9R1.15 CCc1cccc[n+]1[O-] 1P00DCC2 [0,2,0,0,0,0|1,0,1]=4 2865 B9R1.15 CCc1ccccc1Br 1P002B7A [0,2,0,0,0,0|1,0,0]=3 2866 B9R1.15 CCc1ccccc1C 1P003HOX [0,2,0,0,0,0|1,0,0]=3 2867 B9R1.15 CCc1ccccc1F 1P00DDKE [0,2,0,0,0,0|1,0,0]=3 2868 B9R1.15 CCc1ccccc1I 1P0024MY [0,2,0,0,0,0|1,0,0]=3 2869 B9R1.15 CCc1ccccc1N 1P0037MR [0,2,0,0,0,0|1,0,0]=3 2870 B9R1.15 CCc1ccccc1S 1P003HO5 [0,2,0,0,0,0|0,1,0]=3 2871 B9R1.15 CCc1cccnc1Br 1P01CAQK [0,2,0,0,0,0|2,0,0]=4 2872 B9R1.15 CCc1cccnc1Cl 1P00IK9V [0,2,0,0,0,0|2,0,0]=4 2873 B9R1.15 CCc1cccnc1F 1P027X3Q [0,2,0,0,0,0|2,0,0]=4 2874 B9R1.15 CCc1cccnc1N 1P00BYMN [0,2,0,0,0,0|2,0,0]=4 2875 B9R1.15 CCc1cccnc1O 1P00EIVR [0,2,0,0,0,0|1,0,0]=3 2876 B9R1.15 CCc1ccncc1Br 1P0078N0 [0,2,0,0,0,0|2,0,0]=4 2877 B9R1.15 CCc1ccncc1F 1P0013FK [0,2,0,0,0,0|2,0,0]=4 2878 B9R1.15 CCc1ccncc1N 1P008Z8R [0,2,0,0,0,0|2,0,0]=4 2879 B9R1.15 CCc1cnccc1Br 1P0023NT [0,2,0,0,0,0|2,0,0]=4 2880 B9R1.15 CCc1cnccc1Br 1P00ILG0 [0,2,0,0,0,0|2,0,0]=4 2881 B9R1.15 CCc1cnccc1O 1P00DYDN [0,2,0,0,0,0|1,0,0]=3 2882 B9R1.15 CCc1ncccc1Br 1P00CJAY [0,2,0,0,0,0|2,0,0]=4 2883 B9R1.15 CCc1ncccc1N 1P01C6YI [0,2,0,0,0,0|2,0,0]=4 2884 B9R1.15 CCc1ncccc1O 1P00EJRY [0,2,0,0,0,0|1,0,0]=3 2885 B9R1.15 CCc1ncncc1O 1P028W1X [0,2,0,0,0,0|2,0,0]=4 2886 B9R1.15 CN=c1cc[nH]cc1N 1P00AO6C [0,2,0,0,0,0|2,0,0]=4 2887 B9R1.15 CNc1ccccc1Br 1P003H96 [0,2,0,0,0,0|1,0,0]=3 2888 B9R1.15 CNc1ccccc1Br 1P00IJUS [0,2,0,0,0,0|1,0,0]=3 2889 B9R1.15 CNc1ccccc1C 1P003TP2 [0,2,0,0,0,0|1,0,0]=3 2890 B9R1.15 CNc1ccccc1Cl 1P006I47 [0,2,0,0,0,0|1,0,0]=3 2891 B9R1.15 CNc1ccccc1F 1P002BI4 [0,2,0,0,0,0|1,0,0]=3 2892 B9R1.15 CNc1ccccc1I 1P019XX6 [0,2,0,0,0,0|1,0,0]=3 2893 B9R1.15 CNc1ccccc1N 1P002R3W [0,2,0,0,0,0|1,0,0]=3 2894 B9R1.15 CNc1ccccc1N 1P003T4H [0,2,0,0,0,0|1,0,0]=3 2895 B9R1.15 CNc1ccccc1O 1P0033UU [0,2,0,0,0,0|0,0,0]=2 2896 B9R1.15 CNc1ccccc1O 1P01K0W3 [0,2,0,0,0,0|0,0,0]=2 2897 B9R1.15 CNc1cccnc1Br 1P00GSNK [0,2,0,0,0,0|2,0,0]=4 2898 B9R1.15 CNc1cccnc1C 1P009SR0 [0,2,0,0,0,0|2,0,0]=4 2899 B9R1.15 CNc1cccnc1C 1P01AM0N [0,2,0,0,0,0|2,0,0]=4 2900 B9R1.15 CNc1cccnc1C 1P01FKVI [0,2,0,0,0,0|2,0,0]=4 2901 B9R1.15 CNc1cccnc1Cl 1P00I8HE [0,2,0,0,0,0|2,0,0]=4 2902 B9R1.15 CNc1cccnc1N 1P00ELAM [0,2,0,0,0,0|2,0,0]=4 2903 B9R1.15 CNc1ccncc1Br 1P00G8MG [0,2,0,0,0,0|2,0,0]=4 2904 B9R1.15 CNc1ccncc1C 1P01BE54 [0,2,0,0,0,0|2,0,0]=4 2905 B9R1.15 CNc1ccncc1I 1P00G2A7 [0,2,0,0,0,0|2,0,0]=4 2906 B9R1.15 CNc1ccncc1N 1P028Q65 [0,2,0,0,0,0|2,0,0]=4 2907 B9R1.15 CNc1cnccc1Br 1P01R0KB [0,2,0,0,0,0|2,0,0]=4 2908 B9R1.15 CNc1cnccc1C 1P005RQH [0,2,0,0,0,0|2,0,0]=4 2909 B9R1.15 CNc1cnccc1Cl 1P021R1K [0,2,0,0,0,0|2,0,0]=4 2910 B9R1.15 CNc1cnccc1N 1P00B4SE [0,2,0,0,0,0|2,0,0]=4 2911 B9R1.15 CNc1ncccc1Br 1P00BDBE [0,2,0,0,0,0|2,0,0]=4 2912 B9R1.15 CNc1ncccc1C 1P00B9IM [0,2,0,0,0,0|2,0,0]=4 2913 B9R1.15 CNc1ncccc1Cl 1P00DKL6 [0,2,0,0,0,0|2,0,0]=4 2914 B9R1.15 CNc1ncccc1F 1P00BJFB [0,2,0,0,0,0|2,0,0]=4 2915 B9R1.15 CNc1ncccc1I 1P000AOR [0,2,0,0,0,0|2,0,0]=4 2916 B9R1.15 CNc1ncccc1N 1P00DEDZ [0,2,0,0,0,0|2,0,0]=4 2917 B9R1.15 CNc1ncccc1N 1P019XCU [0,2,0,0,0,0|2,0,0]=4 2918 B9R1.15 COc1ccc[nH]c1=O 1P002KM2 [0,2,0,0,0,0|1,0,0]=3 2919 B9R1.15 COc1ccccc1Br 1P003H81 [0,2,0,0,0,0|0,0,0]=2 2920 B9R1.15 COc1ccccc1C 1P003I55 [0,2,0,0,0,0|0,0,0]=2 2921 B9R1.15 COc1ccccc1Cl 1P0033PR [0,2,0,0,0,0|0,0,0]=2 2922 B9R1.15 COc1ccccc1F 1P003HS1 [0,2,0,0,0,0|0,0,0]=2 2923 B9R1.15 COc1ccccc1I 1P0033TS [0,2,0,0,0,0|0,0,0]=2 2924 B9R1.15 COc1ccccc1N 1P003TWA [0,2,0,0,0,0|0,0,0]=2 2925 B9R1.15 COc1ccccc1N 1P003TWB [0,2,0,0,0,0|0,0,0]=2 2926 B9R1.15 COc1ccccc1O 1P003AR5 [0,2,0,0,0,0|0,0,0]=2 2927 B9R1.15 COc1ccccc1S 1P0033UE [0,2,0,0,0,0|0,0,0]=2 2928 B9R1.15 COc1cccnc1Br 1P006XU3 [0,2,0,0,0,0|1,0,0]=3 2929 B9R1.15 COc1cccnc1C 1P002TI0 [0,2,0,0,0,0|1,0,0]=3 2930 B9R1.15 COc1cccnc1Cl 1P00I9VJ [0,2,0,0,0,0|1,0,0]=3 2931 B9R1.15 COc1cccnc1F 1P001UE8 [0,2,0,0,0,0|1,0,0]=3 2932 B9R1.15 COc1cccnc1I 1P0062GY [0,2,0,0,0,0|1,0,0]=3 2933 B9R1.15 COc1cccnc1N 1P0006SA [0,2,0,0,0,0|1,0,0]=3 2934 B9R1.15 COc1cccnc1O 1P00I1BE [0,2,0,0,0,0|1,0,0]=3 2935 B9R1.15 COc1cccnc1S 1P00B36V [0,2,0,0,0,0|1,0,0]=3 2936 B9R1.15 COc1ccncc1Br 1P008LO8 [0,2,0,0,0,0|1,0,0]=3 2937 B9R1.15 COc1ccncc1C 1P00IKAY [0,2,0,0,0,0|1,0,0]=3 2938 B9R1.15 COc1ccncc1Cl 1P003WU7 [0,2,0,0,0,0|1,0,0]=3 2939 B9R1.15 COc1ccncc1F 1P0084WY [0,2,0,0,0,0|1,0,0]=3 2940 B9R1.15 COc1ccncc1I 1P0058Y7 [0,2,0,0,0,0|1,0,0]=3 2941 B9R1.15 COc1ccncc1N 1P00BYYL [0,2,0,0,0,0|1,0,0]=3 2942 B9R1.15 COc1ccncc1O 1P007IYM [0,2,0,0,0,0|1,0,0]=3 2943 B9R1.15 COc1ccnnc1Cl 1P00KCV8 [0,2,0,0,0,0|2,0,0]=4 2944 B9R1.15 COc1ccnnc1N 1P01A698 [0,2,0,0,0,0|2,0,0]=4 2945 B9R1.15 COc1cnccc1Br 1P0038MU [0,2,0,0,0,0|1,0,0]=3 2946 B9R1.15 COc1cnccc1I 1P0014UJ [0,2,0,0,0,0|1,0,0]=3 2947 B9R1.15 COc1cnccc1N 1P00DBRZ [0,2,0,0,0,0|1,0,0]=3 2948 B9R1.15 COc1cncnc1Cl 1P00FCPO [0,2,0,0,0,0|2,0,0]=4 2949 B9R1.15 COc1cncnc1N 1P005WSA [0,2,0,0,0,0|2,0,0]=4 2950 B9R1.15 COc1cnncc1N 1P028BUQ [0,2,0,0,0,0|2,0,0]=4 2951 B9R1.15 COc1ncccc1Br 1P003JHD [0,2,0,0,0,0|1,0,0]=3 2952 B9R1.15 COc1ncccc1C 1P002GA3 [0,2,0,0,0,0|1,0,0]=3 2953 B9R1.15 COc1ncccc1Cl 1P003JNS [0,2,0,0,0,0|1,0,0]=3 2954 B9R1.15 COc1ncccc1F 1P004K0C [0,2,0,0,0,0|1,0,0]=3 2955 B9R1.15 COc1ncccc1I 1P003K1W [0,2,0,0,0,0|1,0,0]=3 2956 B9R1.15 COc1ncccc1N 1P003I18 [0,2,0,0,0,0|1,0,0]=3 2957 B9R1.15 COc1ncccc1O 1P009FJH [0,2,0,0,0,0|1,0,0]=3 2958 B9R1.15 COc1ncccc1S 1P01L01U [0,2,0,0,0,0|1,0,0]=3 2959 B9R1.15 COc1nccnc1Br 1P008ZI9 [0,2,0,0,0,0|2,0,0]=4 2960 B9R1.15 COc1nccnc1C 1P002VX2 [0,2,0,0,0,0|2,0,0]=4 2961 B9R1.15 COc1nccnc1C 1P00FAVU [0,2,0,0,0,0|2,0,0]=4 2962 B9R1.15 COc1nccnc1Cl 1P0075I4 [0,2,0,0,0,0|2,0,0]=4 2963 B9R1.15 COc1nccnc1F 1P023J7U [0,2,0,0,0,0|2,0,0]=4 2964 B9R1.15 COc1nccnc1I 1P00EHP1 [0,2,0,0,0,0|2,0,0]=4 2965 B9R1.15 COc1nccnc1N 1P00D9E1 [0,2,0,0,0,0|2,0,0]=4 2966 B9R1.15 COc1ncncc1Br 1P00DICH [0,2,0,0,0,0|2,0,0]=4 2967 B9R1.15 COc1ncncc1C 1P00ALUB [0,2,0,0,0,0|2,0,0]=4 2968 B9R1.15 COc1ncncc1Cl 1P000FZI [0,2,0,0,0,0|2,0,0]=4 2969 B9R1.15 COc1ncncc1F 1P008Z73 [0,2,0,0,0,0|2,0,0]=4 2970 B9R1.15 COc1ncncc1I 1P00I4QX [0,2,0,0,0,0|2,0,0]=4 2971 B9R1.15 COc1ncncc1N 1P001ONJ [0,2,0,0,0,0|2,0,0]=4 2972 B9R1.15 COc1nnccc1N 1P009X7F [0,2,0,0,0,0|2,0,0]=4 2973 B9R1.15 CSc1ccccc1Br 1P003H9R [0,2,0,0,0,0|0,1,0]=3 2974 B9R1.15 CSc1ccccc1C 1P001G42 [0,2,0,0,0,0|0,1,0]=3 2975 B9R1.15 CSc1ccccc1Cl 1P0025PI [0,2,0,0,0,0|0,1,0]=3 2976 B9R1.15 CSc1ccccc1F 1P003HSY [0,2,0,0,0,0|0,1,0]=3 2977 B9R1.15 CSc1ccccc1I 1P003HXO [0,2,0,0,0,0|0,1,0]=3 2978 B9R1.15 CSc1ccccc1N 1P003BJ8 [0,2,0,0,0,0|0,1,0]=3 2979 B9R1.15 CSc1ccccc1O 1P003HWT [0,2,0,0,0,0|0,0,0]=2 2980 B9R1.15 CSc1cccnc1Br 1P00J3CE [0,2,0,0,0,0|1,1,0]=4 2981 B9R1.15 CSc1cccnc1Cl 1P006P9R [0,2,0,0,0,0|1,1,0]=4 2982 B9R1.15 CSc1cccnc1F 1P00CGDU [0,2,0,0,0,0|1,1,0]=4 2983 B9R1.15 CSc1cccnc1N 1P00BB9C [0,2,0,0,0,0|1,1,0]=4 2984 B9R1.15 CSc1ccncc1Br 1P0056GB [0,2,0,0,0,0|1,1,0]=4 2985 B9R1.15 CSc1ccncc1N 1P019YSY [0,2,0,0,0,0|1,1,0]=4 2986 B9R1.15 CSc1cnccc1N 1P01DL3L [0,2,0,0,0,0|1,1,0]=4 2987 B9R1.15 CSc1ncccc1Br 1P00DAU5 [0,2,0,0,0,0|1,1,0]=4 2988 B9R1.15 CSc1ncccc1C 1P01BWA1 [0,2,0,0,0,0|1,1,0]=4 2989 B9R1.15 CSc1ncccc1Cl 1P01DNYD [0,2,0,0,0,0|1,1,0]=4 2990 B9R1.15 CSc1ncccc1N 1P00J30S [0,2,0,0,0,0|1,1,0]=4 2991 B9R1.15 ClCc1cccc[n+]1[O-] 1P00CNBP [0,2,0,0,0,0|1,0,1]=4 2992 B9R1.15 ClCc1ccccc1Cl 1P003BO7 [0,2,0,0,0,0|1,0,0]=3 2993 B9R1.15 ClCc1ccccc1F 1P003HSB [0,2,0,0,0,0|1,0,0]=3 2994 B9R1.15 ClCc1ccccc1I 1P003DJH [0,2,0,0,0,0|1,0,0]=3 2995 B9R1.15 ClCc1cccnc1C 1P00EKAT [0,2,0,0,0,0|2,0,0]=4 2996 B9R1.15 ClCc1cccnc1Cl 1P003HBI [0,2,0,0,0,0|2,0,0]=4 2997 B9R1.15 ClCc1cccnc1Cl 1P0093D5 [0,2,0,0,0,0|2,0,0]=4 2998 B9R1.15 ClCc1cccnc1F 1P00CM25 [0,2,0,0,0,0|2,0,0]=4 2999 B9R1.15 ClCc1cccnc1N 1P004OOU [0,2,0,0,0,0|2,0,0]=4 3000 B9R1.15 ClCc1cccnc1N 1P00G8NW [0,2,0,0,0,0|2,0,0]=4 3001 B9R1.15 ClCc1ccncc1Br 1P001HOR [0,2,0,0,0,0|2,0,0]=4 3002 B9R1.15 ClCc1ccncc1C 1P008ZLU [0,2,0,0,0,0|2,0,0]=4 3003 B9R1.15 ClCc1ccncc1Cl 1P019SIT [0,2,0,0,0,0|2,0,0]=4 3004 B9R1.15 ClCc1ccncc1F 1P00958P [0,2,0,0,0,0|2,0,0]=4 3005 B9R1.15 ClCc1ccncc1F 1P00HUT4 [0,2,0,0,0,0|2,0,0]=4 3006 B9R1.15 ClCc1cnccc1C 1P001EJT [0,2,0,0,0,0|2,0,0]=4 3007 B9R1.15 ClCc1cnccc1Cl 1P01BD8C [0,2,0,0,0,0|2,0,0]=4 3008 B9R1.15 ClCc1ncccc1Br 1P000K2H [0,2,0,0,0,0|2,0,0]=4 3009 B9R1.15 ClCc1ncccc1Br 1P001I6I [0,2,0,0,0,0|2,0,0]=4 3010 B9R1.15 ClCc1ncccc1C 1P00DBUW [0,2,0,0,0,0|2,0,0]=4 3011 B9R1.15 ClCc1ncccc1C 1P00DD4J [0,2,0,0,0,0|2,0,0]=4 3012 B9R1.15 ClCc1ncccc1Cl 1P000MGW [0,2,0,0,0,0|2,0,0]=4 3013 B9R1.15 ClCc1ncccc1Cl 1P003JMY [0,2,0,0,0,0|2,0,0]=4 3014 B9R1.15 ClCc1ncccc1F 1P001M6W [0,2,0,0,0,0|2,0,0]=4 3015 B9R1.15 ClCc1ncccc1F 1P001M7B [0,2,0,0,0,0|2,0,0]=4 3016 B9R1.15 ClCc1ncccc1O 1P005N12 [0,2,0,0,0,0|1,0,0]=3 3017 B9R1.15 FCc1ccccc1Br 1P01JKVP [0,2,0,0,0,0|1,0,0]=3 3018 B9R1.15 ICc1ccccc1Cl 1P005V3O [0,2,0,0,0,0|1,0,0]=3 3019 B9R1.15 N#Cc1cccc[n+]1C 1P024ZR1 [0,2,0,0,0,0|2,0,0]=4 3020 B9R1.15 N#Cc1ccccc1Br 1P0029SV [0,2,0,0,0,0|1,0,0]=3 3021 B9R1.15 N#Cc1ccccc1C 1P003A6S [0,2,0,0,0,0|1,0,0]=3 3022 B9R1.15 N#Cc1ccccc1Cl 1P003HIG [0,2,0,0,0,0|1,0,0]=3 3023 B9R1.15 N#Cc1ccccc1F 1P0033SC [0,2,0,0,0,0|1,0,0]=3 3024 B9R1.15 N#Cc1ccccc1I 1P003HXH [0,2,0,0,0,0|1,0,0]=3 3025 B9R1.15 N#Cc1ccccc1N 1P002HEF [0,2,0,0,0,0|1,0,0]=3 3026 B9R1.15 N#Cc1ccccc1O 1P003HVY [0,2,0,0,0,0|0,0,0]=2 3027 B9R1.15 N#Cc1cccnc1Br 1P002ATH [0,2,0,0,0,0|2,0,0]=4 3028 B9R1.15 N#Cc1cccnc1C 1P00APLN [0,2,0,0,0,0|2,0,0]=4 3029 B9R1.15 N#Cc1cccnc1Cl 1P003HC0 [0,2,0,0,0,0|2,0,0]=4 3030 B9R1.15 N#Cc1cccnc1F 1P003JSK [0,2,0,0,0,0|2,0,0]=4 3031 B9R1.15 N#Cc1cccnc1N 1P002OUS [0,2,0,0,0,0|2,0,0]=4 3032 B9R1.15 N#Cc1cccnc1O 1P005X0B [0,2,0,0,0,0|1,0,0]=3 3033 B9R1.15 N#Cc1cccnc1S 1P00DD4P [0,2,0,0,0,0|1,1,0]=4 3034 B9R1.15 N#Cc1ccncc1Br 1P001BRL [0,2,0,0,0,0|2,0,0]=4 3035 B9R1.15 N#Cc1ccncc1C 1P00G3UF [0,2,0,0,0,0|2,0,0]=4 3036 B9R1.15 N#Cc1ccncc1Cl 1P003JOJ [0,2,0,0,0,0|2,0,0]=4 3037 B9R1.15 N#Cc1ccncc1F 1P000A3A [0,2,0,0,0,0|2,0,0]=4 3038 B9R1.15 N#Cc1ccncc1N 1P003JC6 [0,2,0,0,0,0|2,0,0]=4 3039 B9R1.15 N#Cc1ccncc1O 1P004KDV [0,2,0,0,0,0|1,0,0]=3 3040 B9R1.15 N#Cc1cnccc1Br 1P007Y3B [0,2,0,0,0,0|2,0,0]=4 3041 B9R1.15 N#Cc1cnccc1C 1P00IA6Z [0,2,0,0,0,0|2,0,0]=4 3042 B9R1.15 N#Cc1cnccc1Cl 1P0038TX [0,2,0,0,0,0|2,0,0]=4 3043 B9R1.15 N#Cc1cnccc1F 1P0084X0 [0,2,0,0,0,0|2,0,0]=4 3044 B9R1.15 N#Cc1cnccc1I 1P006WEY [0,2,0,0,0,0|2,0,0]=4 3045 B9R1.15 N#Cc1cnccc1N 1P001QK6 [0,2,0,0,0,0|2,0,0]=4 3046 B9R1.15 N#Cc1cnccc1O 1P00GV46 [0,2,0,0,0,0|1,0,0]=3 3047 B9R1.15 N#Cc1cnccc1S 1P01B5ML [0,2,0,0,0,0|1,1,0]=4 3048 B9R1.15 N#Cc1cncnc1O 1P00706R [0,2,0,0,0,0|2,0,0]=4 3049 B9R1.15 N#Cc1ncccc1Br 1P003JGX [0,2,0,0,0,0|2,0,0]=4 3050 B9R1.15 N#Cc1ncccc1C 1P002KUH [0,2,0,0,0,0|2,0,0]=4 3051 B9R1.15 N#Cc1ncccc1F 1P0033QJ [0,2,0,0,0,0|2,0,0]=4 3052 B9R1.15 N#Cc1ncccc1I 1P003K2H [0,2,0,0,0,0|2,0,0]=4 3053 B9R1.15 N#Cc1ncccc1N 1P003JBA [0,2,0,0,0,0|2,0,0]=4 3054 B9R1.15 N#Cc1ncccc1O 1P0033QK [0,2,0,0,0,0|1,0,0]=3 3055 B9R1.15 N#[N+]c1ccccc1Cl 1P021RNX [0,2,0,0,0,0|1,0,0]=3 3056 B9R1.15 NCc1ccc[nH]c1=O 1P008FIL [0,2,0,0,0,0|1,0,1]=4 3057 B9R1.15 NCc1ccc[nH]c1=O 1P00AI7Z [0,2,0,0,0,0|1,0,1]=4 3058 B9R1.15 NCc1ccccc1Br 1P003H8D [0,2,0,0,0,0|1,0,0]=3 3059 B9R1.15 NCc1ccccc1Br 1P003H8E [0,2,0,0,0,0|1,0,0]=3 3060 B9R1.15 NCc1ccccc1C 1P0037DE [0,2,0,0,0,0|1,0,0]=3 3061 B9R1.15 NCc1ccccc1Cl 1P0033PV [0,2,0,0,0,0|1,0,0]=3 3062 B9R1.15 NCc1ccccc1Cl 1P00BGK2 [0,2,0,0,0,0|1,0,0]=3 3063 B9R1.15 NCc1ccccc1F 1P0033SE [0,2,0,0,0,0|1,0,0]=3 3064 B9R1.15 NCc1ccccc1I 1P007333 [0,2,0,0,0,0|1,0,0]=3 3065 B9R1.15 NCc1ccccc1I 1P00C7RL [0,2,0,0,0,0|1,0,0]=3 3066 B9R1.15 NCc1ccccc1N 1P00DEQ7 [0,2,0,0,0,0|1,0,0]=3 3067 B9R1.15 NCc1ccccc1O 1P003FFO [0,2,0,0,0,0|0,0,0]=2 3068 B9R1.15 NCc1ccccc1O 1P00EIWG [0,2,0,0,0,0|0,0,0]=2 3069 B9R1.15 NCc1ccccc1O 1P01DLDC [0,2,0,0,0,0|0,0,0]=2 3070 B9R1.15 NCc1cccnc1Br 1P002ARU [0,2,0,0,0,0|2,0,0]=4 3071 B9R1.15 NCc1cccnc1Br 1P028CUY [0,2,0,0,0,0|2,0,0]=4 3072 B9R1.15 NCc1cccnc1C 1P00EDWW [0,2,0,0,0,0|2,0,0]=4 3073 B9R1.15 NCc1cccnc1C 1P00IAV8 [0,2,0,0,0,0|2,0,0]=4 3074 B9R1.15 NCc1cccnc1Cl 1P002ARV [0,2,0,0,0,0|2,0,0]=4 3075 B9R1.15 NCc1cccnc1Cl 1P00A0HW [0,2,0,0,0,0|2,0,0]=4 3076 B9R1.15 NCc1cccnc1Cl 1P00AAIK [0,2,0,0,0,0|2,0,0]=4 3077 B9R1.15 NCc1cccnc1F 1P002ART [0,2,0,0,0,0|2,0,0]=4 3078 B9R1.15 NCc1cccnc1F 1P004N9V [0,2,0,0,0,0|2,0,0]=4 3079 B9R1.15 NCc1cccnc1I 1P028H2F [0,2,0,0,0,0|2,0,0]=4 3080 B9R1.15 NCc1cccnc1N 1P001JPL [0,2,0,0,0,0|2,0,0]=4 3081 B9R1.15 NCc1ccncc1Br 1P004CWE [0,2,0,0,0,0|2,0,0]=4 3082 B9R1.15 NCc1ccncc1Br 1P01C11A [0,2,0,0,0,0|2,0,0]=4 3083 B9R1.15 NCc1ccncc1Br 1P01EDYH [0,2,0,0,0,0|2,0,0]=4 3084 B9R1.15 NCc1ccncc1C 1P00665P [0,2,0,0,0,0|2,0,0]=4 3085 B9R1.15 NCc1ccncc1C 1P00IE0H [0,2,0,0,0,0|2,0,0]=4 3086 B9R1.15 NCc1ccncc1Cl 1P00H1FA [0,2,0,0,0,0|2,0,0]=4 3087 B9R1.15 NCc1ccncc1Cl 1P00HHLV [0,2,0,0,0,0|2,0,0]=4 3088 B9R1.15 NCc1ccncc1F 1P008EEF [0,2,0,0,0,0|2,0,0]=4 3089 B9R1.15 NCc1ccncc1F 1P00A0HY [0,2,0,0,0,0|2,0,0]=4 3090 B9R1.15 NCc1ccncc1N 1P001JPK [0,2,0,0,0,0|2,0,0]=4 3091 B9R1.15 NCc1ccncc1O 1P002A71 [0,2,0,0,0,0|1,0,0]=3 3092 B9R1.15 NCc1cnccc1Br 1P00A1FX [0,2,0,0,0,0|2,0,0]=4 3093 B9R1.15 NCc1cnccc1C 1P001JR8 [0,2,0,0,0,0|2,0,0]=4 3094 B9R1.15 NCc1cnccc1C 1P01C1KV [0,2,0,0,0,0|2,0,0]=4 3095 B9R1.15 NCc1cnccc1Cl 1P00K2ZK [0,2,0,0,0,0|2,0,0]=4 3096 B9R1.15 NCc1cnccc1Cl 1P019FAL [0,2,0,0,0,0|2,0,0]=4 3097 B9R1.15 NCc1cnccc1N 1P01AGC1 [0,2,0,0,0,0|2,0,0]=4 3098 B9R1.15 NCc1cnccc1O 1P02056P [0,2,0,0,0,0|1,0,0]=3 3099 B9R1.15 NCc1ncccc1Br 1P008XMS [0,2,0,0,0,0|2,0,0]=4 3100 B9R1.15 NCc1ncccc1Br 1P01B5Q6 [0,2,0,0,0,0|2,0,0]=4 3101 B9R1.15 NCc1ncccc1Br 1P01B673 [0,2,0,0,0,0|2,0,0]=4 3102 B9R1.15 NCc1ncccc1C 1P0038IX [0,2,0,0,0,0|2,0,0]=4 3103 B9R1.15 NCc1ncccc1C 1P003AQ0 [0,2,0,0,0,0|2,0,0]=4 3104 B9R1.15 NCc1ncccc1C 1P00IN6R [0,2,0,0,0,0|2,0,0]=4 3105 B9R1.15 NCc1ncccc1Cl 1P007HCB [0,2,0,0,0,0|2,0,0]=4 3106 B9R1.15 NCc1ncccc1Cl 1P00DGS6 [0,2,0,0,0,0|2,0,0]=4 3107 B9R1.15 NCc1ncccc1F 1P000S1P [0,2,0,0,0,0|2,0,0]=4 3108 B9R1.15 NCc1ncccc1F 1P0039LA [0,2,0,0,0,0|2,0,0]=4 3109 B9R1.15 NCc1ncccc1F 1P00CBG3 [0,2,0,0,0,0|2,0,0]=4 3110 B9R1.15 NCc1ncccc1N 1P001JPJ [0,2,0,0,0,0|2,0,0]=4 3111 B9R1.15 NCc1ncccc1O 1P00BBSC [0,2,0,0,0,0|1,0,0]=3 3112 B9R1.15 NCc1ncccc1O 1P01FIC3 [0,2,0,0,0,0|1,0,0]=3 3113 B9R1.15 NCc1nccnc1O 1P028A3M [0,2,0,0,0,0|2,0,0]=4 3114 B9R1.15 NNc1ccccc1Br 1P001XRH [0,2,0,0,0,0|1,0,0]=3 3115 B9R1.15 NNc1ccccc1Br 1P0033NI [0,2,0,0,0,0|1,0,0]=3 3116 B9R1.15 NNc1ccccc1C 1P003TYZ [0,2,0,0,0,0|1,0,0]=3 3117 B9R1.15 NNc1ccccc1Cl 1P0033Q9 [0,2,0,0,0,0|1,0,0]=3 3118 B9R1.15 NNc1ccccc1F 1P002OLG [0,2,0,0,0,0|1,0,0]=3 3119 B9R1.15 NNc1ccccc1F 1P002YAI [0,2,0,0,0,0|1,0,0]=3 3120 B9R1.15 NNc1ccccc1I 1P00DBVY [0,2,0,0,0,0|1,0,0]=3 3121 B9R1.15 NNc1ccccc1I 1P00EZL5 [0,2,0,0,0,0|1,0,0]=3 3122 B9R1.15 NNc1cccnc1C 1P00IMPU [0,2,0,0,0,0|2,0,0]=4 3123 B9R1.15 NNc1cccnc1Cl 1P000E63 [0,2,0,0,0,0|2,0,0]=4 3124 B9R1.15 NNc1cccnc1F 1P0240I2 [0,2,0,0,0,0|2,0,0]=4 3125 B9R1.15 NNc1ccncc1Br 1P00IN68 [0,2,0,0,0,0|2,0,0]=4 3126 B9R1.15 NNc1ccncc1C 1P008VKW [0,2,0,0,0,0|2,0,0]=4 3127 B9R1.15 NNc1ccncc1C 1P01X5LC [0,2,0,0,0,0|2,0,0]=4 3128 B9R1.15 NNc1ccncc1Cl 1P019ZC5 [0,2,0,0,0,0|2,0,0]=4 3129 B9R1.15 NNc1ccncc1F 1P01B5SR [0,2,0,0,0,0|2,0,0]=4 3130 B9R1.15 NNc1ncccc1Br 1P00DFZM [0,2,0,0,0,0|2,0,0]=4 3131 B9R1.15 NNc1ncccc1C 1P00DDGM [0,2,0,0,0,0|2,0,0]=4 3132 B9R1.15 NNc1ncccc1Cl 1P003JNN [0,2,0,0,0,0|2,0,0]=4 3133 B9R1.15 NNc1ncccc1F 1P0036QS [0,2,0,0,0,0|2,0,0]=4 3134 B9R1.15 NNc1ncccc1N 1P01B6SP [0,2,0,0,0,0|2,0,0]=4 3135 B9R1.15 NOc1ccccc1Cl 1P01B91N [0,2,0,0,0,0|0,0,0]=2 3136 B9R1.15 NOc1ccccc1Cl 1P01BFN7 [0,2,0,0,0,0|0,0,0]=2 3137 B9R1.15 NOc1ccccc1F 1P01BFN6 [0,2,0,0,0,0|0,0,0]=2 3138 B9R1.15 O=Cc1c[nH]ccc1=N 1P01DU8B [0,2,0,0,0,0|1,0,1]=4 3139 B9R1.15 O=Cc1ccccc1Br 1P003H83 [0,2,0,0,0,0|0,0,1]=3 3140 B9R1.15 O=Cc1ccccc1C 1P0032QN [0,2,0,0,0,0|0,0,1]=3 3141 B9R1.15 O=Cc1ccccc1Cl 1P0033PS [0,2,0,0,0,0|0,0,1]=3 3142 B9R1.15 O=Cc1ccccc1F 1P003HS2 [0,2,0,0,0,0|0,0,1]=3 3143 B9R1.15 O=Cc1ccccc1I 1P002SZ0 [0,2,0,0,0,0|0,0,1]=3 3144 B9R1.15 O=Cc1ccccc1N 1P00I9WT [0,2,0,0,0,0|0,0,1]=3 3145 B9R1.15 O=Cc1cccnc1Br 1P000Y70 [0,2,0,0,0,0|1,0,1]=4 3146 B9R1.15 O=Cc1cccnc1C 1P00EDM2 [0,2,0,0,0,0|1,0,1]=4 3147 B9R1.15 O=Cc1cccnc1Cl 1P003HC8 [0,2,0,0,0,0|1,0,1]=4 3148 B9R1.15 O=Cc1cccnc1F 1P003991 [0,2,0,0,0,0|1,0,1]=4 3149 B9R1.15 O=Cc1cccnc1N 1P0033JT [0,2,0,0,0,0|1,0,1]=4 3150 B9R1.15 O=Cc1cccnc1O 1P01XDHM [0,2,0,0,0,0|1,0,0]=3 3151 B9R1.15 O=Cc1ccncc1Br 1P003JII [0,2,0,0,0,0|1,0,1]=4 3152 B9R1.15 O=Cc1ccncc1C 1P005AUA [0,2,0,0,0,0|1,0,1]=4 3153 B9R1.15 O=Cc1ccncc1Cl 1P003JOU [0,2,0,0,0,0|1,0,1]=4 3154 B9R1.15 O=Cc1ccncc1F 1P003463 [0,2,0,0,0,0|1,0,1]=4 3155 B9R1.15 O=Cc1ccncc1N 1P00DEZT [0,2,0,0,0,0|1,0,1]=4 3156 B9R1.15 O=Cc1ccncc1O 1P00757U [0,2,0,0,0,0|1,0,0]=3 3157 B9R1.15 O=Cc1cnccc1Br 1P000G6U [0,2,0,0,0,0|1,0,1]=4 3158 B9R1.15 O=Cc1cnccc1Br 1P00AP7I [0,2,0,0,0,0|1,0,1]=4 3159 B9R1.15 O=Cc1cnccc1C 1P00D9CN [0,2,0,0,0,0|1,0,1]=4 3160 B9R1.15 O=Cc1cnccc1Cl 1P000AXW [0,2,0,0,0,0|1,0,1]=4 3161 B9R1.15 O=Cc1cnccc1N 1P0037OR [0,2,0,0,0,0|1,0,1]=4 3162 B9R1.15 O=Cc1cnccc1N 1P00619R [0,2,0,0,0,0|1,0,1]=4 3163 B9R1.15 O=Cc1cnccc1O 1P0036Q3 [0,2,0,0,0,0|1,0,0]=3 3164 B9R1.15 O=Cc1ncccc1Br 1P00342J [0,2,0,0,0,0|1,0,1]=4 3165 B9R1.15 O=Cc1ncccc1C 1P003K64 [0,2,0,0,0,0|1,0,1]=4 3166 B9R1.15 O=Cc1ncccc1Cl 1P002B0R [0,2,0,0,0,0|1,0,1]=4 3167 B9R1.15 O=Cc1ncccc1F 1P00346F [0,2,0,0,0,0|1,0,1]=4 3168 B9R1.15 O=Cc1ncccc1N 1P0037JT [0,2,0,0,0,0|1,0,1]=4 3169 B9R1.15 O=Cc1ncccc1O 1P007SB0 [0,2,0,0,0,0|1,0,0]=3 3170 B9R1.15 O=Nc1ccccc1C 1P00EG52 [0,2,0,0,0,0|0,0,1]=3 3171 B9R1.15 O=c1c(C=O)ccc[nH]1 1P003HWG [0,2,0,0,0,0|1,0,1]=4 3172 B9R1.15 O=c1c(ccc[nH]1)C#N 1P002ATG [0,2,0,0,0,0|1,0,1]=4 3173 B9R1.15 O=c1cc[nH]cc1C#N 1P00027D [0,2,0,0,0,0|1,0,1]=4 3174 B9R1.15 OCc1ccc[nH]c1=O 1P00C95U [0,2,0,0,0,0|1,0,0]=3 3175 B9R1.15 OCc1cccc[n+]1C 1P007HR4 [0,2,0,0,0,0|1,0,0]=3 3176 B9R1.15 OCc1ccccc1Br 1P002EHD [0,2,0,0,0,0|0,0,0]=2 3177 B9R1.15 OCc1ccccc1Br 1P004WEF [0,2,0,0,0,0|0,0,0]=2 3178 B9R1.15 OCc1ccccc1C 1P003I5H [0,2,0,0,0,0|0,0,0]=2 3179 B9R1.15 OCc1ccccc1Cl 1P0026K3 [0,2,0,0,0,0|0,0,0]=2 3180 B9R1.15 OCc1ccccc1F 1P003BOX [0,2,0,0,0,0|0,0,0]=2 3181 B9R1.15 OCc1ccccc1I 1P00DF4T [0,2,0,0,0,0|0,0,0]=2 3182 B9R1.15 OCc1ccccc1N 1P0033KS [0,2,0,0,0,0|0,0,0]=2 3183 B9R1.15 OCc1ccccc1O 1P00IGEK [0,2,0,0,0,0|0,0,0]=2 3184 B9R1.15 OCc1ccccc1S 1P003HZ0 [0,2,0,0,0,0|0,0,0]=2 3185 B9R1.15 OCc1cccnc1Br 1P001054 [0,2,0,0,0,0|1,0,0]=3 3186 B9R1.15 OCc1cccnc1C 1P003BPS [0,2,0,0,0,0|1,0,0]=3 3187 B9R1.15 OCc1cccnc1Cl 1P003C3A [0,2,0,0,0,0|1,0,0]=3 3188 B9R1.15 OCc1cccnc1F 1P001053 [0,2,0,0,0,0|1,0,0]=3 3189 B9R1.15 OCc1cccnc1N 1P002OD6 [0,2,0,0,0,0|1,0,0]=3 3190 B9R1.15 OCc1ccncc1Br 1P001EO2 [0,2,0,0,0,0|1,0,0]=3 3191 B9R1.15 OCc1ccncc1C 1P00C847 [0,2,0,0,0,0|1,0,0]=3 3192 B9R1.15 OCc1ccncc1Cl 1P003C8S [0,2,0,0,0,0|1,0,0]=3 3193 B9R1.15 OCc1ccncc1F 1P008EEG [0,2,0,0,0,0|1,0,0]=3 3194 B9R1.15 OCc1ccncc1N 1P007K0Z [0,2,0,0,0,0|1,0,0]=3 3195 B9R1.15 OCc1ccncc1O 1P00C7AH [0,2,0,0,0,0|1,0,0]=3 3196 B9R1.15 OCc1ccnnc1C 1P00I3WD [0,2,0,0,0,0|2,0,0]=4 3197 B9R1.15 OCc1cnccc1Br 1P00AQMY [0,2,0,0,0,0|1,0,0]=3 3198 B9R1.15 OCc1cnccc1C 1P00D9CV [0,2,0,0,0,0|1,0,0]=3 3199 B9R1.15 OCc1cnccc1Cl 1P002E5M [0,2,0,0,0,0|1,0,0]=3 3200 B9R1.15 OCc1cnccc1Cl 1P002OUG [0,2,0,0,0,0|1,0,0]=3 3201 B9R1.15 OCc1cnccc1N 1P0018HB [0,2,0,0,0,0|1,0,0]=3 3202 B9R1.15 OCc1cncnc1C 1P01A6T5 [0,2,0,0,0,0|2,0,0]=4 3203 B9R1.15 OCc1cncnc1Cl 1P00CO18 [0,2,0,0,0,0|2,0,0]=4 3204 B9R1.15 OCc1cncnc1N 1P00558M [0,2,0,0,0,0|2,0,0]=4 3205 B9R1.15 OCc1ncccc1Br 1P0037LG [0,2,0,0,0,0|1,0,0]=3 3206 B9R1.15 OCc1ncccc1C 1P00E9TF [0,2,0,0,0,0|1,0,0]=3 3207 B9R1.15 OCc1ncccc1Cl 1P00ED23 [0,2,0,0,0,0|1,0,0]=3 3208 B9R1.15 OCc1ncccc1F 1P00BETC [0,2,0,0,0,0|1,0,0]=3 3209 B9R1.15 OCc1ncccc1N 1P003JAQ [0,2,0,0,0,0|1,0,0]=3 3210 B9R1.15 OCc1ncccc1O 1P001CZ5 [0,2,0,0,0,0|1,0,0]=3 3211 B9R1.15 OCc1ncccc1O 1P001HER [0,2,0,0,0,0|1,0,0]=3 3212 B9R1.15 OCc1nccnc1C 1P001VUR [0,2,0,0,0,0|2,0,0]=4 3213 B9R1.15 OCc1nccnc1Cl 1P0041GK [0,2,0,0,0,0|2,0,0]=4 3214 B9R1.15 OCc1nccnc1N 1P00CJWI [0,2,0,0,0,0|2,0,0]=4 3215 B9R1.15 OCc1ncncc1Br 1P0034OU [0,2,0,0,0,0|2,0,0]=4 3216 B9R1.15 OCc1ncncc1N 1P001ODL [0,2,0,0,0,0|2,0,0]=4 3217 B9R1.15 ONc1ccccc1Cl 1P007HD5 [0,2,0,0,0,0|0,0,0]=2 3218 B9R1.15 SCc1ccccc1Br 1P001J1L [0,2,0,0,0,0|0,1,0]=3 3219 B9R1.15 SCc1ccccc1C 1P003B52 [0,2,0,0,0,0|0,1,0]=3 3220 B9R1.15 SCc1ccccc1Cl 1P003HIA [0,2,0,0,0,0|0,1,0]=3 3221 B9R1.15 SCc1ccccc1F 1P00FDHP [0,2,0,0,0,0|0,1,0]=3 3222 B9R1.15 SCc1ccccc1N 1P0284O8 [0,2,0,0,0,0|0,1,0]=3 3223 B9R1.15 [C-]#[N+]c1ccccc1Br 1P0027V3 [0,2,0,0,0,0|1,0,0]=3 3224 B9R1.15 [C-]#[N+]c1ccccc1C 1P008T4R [0,2,0,0,0,0|1,0,0]=3 3225 B9R1.15 [C-]#[N+]c1ccccc1I 1P00I1VF [0,2,0,0,0,0|1,0,0]=3 3226 B9R1.15 [C-]#[N+]c1ncccc1C 1P01SF7K [0,2,0,0,0,0|2,0,0]=4 3227 B9R1.69 Brc1c[nH]c(=O)cc1C 1P01BEN4 [0,2,0,0,0,0|1,0,1]=4 3228 B9R1.69 Brc1c[nH]c(=O)cc1Cl 1P00A188 [0,2,0,0,0,0|1,0,1]=4 3229 B9R1.69 Brc1c[nH]c(=O)cc1O 1P00G65E [0,2,0,0,0,0|1,0,0]=3 3230 B9R1.69 Brc1cc(Br)coc1=O 1P00BQMO [0,2,0,0,0,0|1,0,1]=4 3231 B9R1.69 Brc1cc(I)c(=O)[nH]c1 1P00C0LM [0,2,0,0,0,0|1,0,1]=4 3232 B9R1.69 Brc1cc[n+](c(c1)C)[O-] 1P000279 [0,2,0,0,0,0|1,0,1]=4 3233 B9R1.69 Brc1ccc(=O)n(c1)C 1P003MWE [0,2,0,0,0,0|1,0,1]=4 3234 B9R1.69 Brc1ccc(=O)n(c1)N 1P01DZNM [0,2,0,0,0,0|1,0,1]=4 3235 B9R1.69 Brc1ccc([n+](c1)[O-])C 1P00BC21 [0,2,0,0,0,0|1,0,1]=4 3236 B9R1.69 Brc1ccc([n+](c1)[O-])Cl 1P003MXJ [0,2,0,0,0,0|1,0,1]=4 3237 B9R1.69 Brc1ccc(c(=O)[nH]1)N 1P0092XJ [0,2,0,0,0,0|1,0,1]=4 3238 B9R1.69 Brc1ccc(c(c1)Br)Br 1P003DRU [0,2,0,0,0,0|1,0,0]=3 3239 B9R1.69 Brc1ccc(c(c1)Br)C 1P003G6O [0,2,0,0,0,0|1,0,0]=3 3240 B9R1.69 Brc1ccc(c(c1)Br)Cl 1P002ZCN [0,2,0,0,0,0|1,0,0]=3 3241 B9R1.69 Brc1ccc(c(c1)Br)F 1P003G66 [0,2,0,0,0,0|1,0,0]=3 3242 B9R1.69 Brc1ccc(c(c1)Br)I 1P00383V [0,2,0,0,0,0|1,0,0]=3 3243 B9R1.69 Brc1ccc(c(c1)Br)N 1P003G6E [0,2,0,0,0,0|1,0,0]=3 3244 B9R1.69 Brc1ccc(c(c1)Br)O 1P003BL9 [0,2,0,0,0,0|0,0,0]=2 3245 B9R1.69 Brc1ccc(c(c1)C)Br 1P003GDL [0,2,0,0,0,0|1,0,0]=3 3246 B9R1.69 Brc1ccc(c(c1)C)C 1P003828 [0,2,0,0,0,0|1,0,0]=3 3247 B9R1.69 Brc1ccc(c(c1)C)Cl 1P003831 [0,2,0,0,0,0|1,0,0]=3 3248 B9R1.69 Brc1ccc(c(c1)C)F 1P003MXT [0,2,0,0,0,0|1,0,0]=3 3249 B9R1.69 Brc1ccc(c(c1)C)I 1P000DDU [0,2,0,0,0,0|1,0,0]=3 3250 B9R1.69 Brc1ccc(c(c1)C)N 1P003LDV [0,2,0,0,0,0|1,0,0]=3 3251 B9R1.69 Brc1ccc(c(c1)C)O 1P002OE2 [0,2,0,0,0,0|0,0,0]=2 3252 B9R1.69 Brc1ccc(c(c1)C)S 1P01B9DG [0,2,0,0,0,0|0,1,0]=3 3253 B9R1.69 Brc1ccc(c(c1)Cl)Br 1P003BHB [0,2,0,0,0,0|1,0,0]=3 3254 B9R1.69 Brc1ccc(c(c1)Cl)C 1P003LD2 [0,2,0,0,0,0|1,0,0]=3 3255 B9R1.69 Brc1ccc(c(c1)Cl)Cl 1P0024MW [0,2,0,0,0,0|1,0,0]=3 3256 B9R1.69 Brc1ccc(c(c1)Cl)F 1P003LCS [0,2,0,0,0,0|1,0,0]=3 3257 B9R1.69 Brc1ccc(c(c1)Cl)I 1P003LCT [0,2,0,0,0,0|1,0,0]=3 3258 B9R1.69 Brc1ccc(c(c1)Cl)N 1P00BXS1 [0,2,0,0,0,0|1,0,0]=3 3259 B9R1.69 Brc1ccc(c(c1)Cl)O 1P0034DX [0,2,0,0,0,0|0,0,0]=2 3260 B9R1.69 Brc1ccc(c(c1)Cl)S 1P003WI1 [0,2,0,0,0,0|0,1,0]=3 3261 B9R1.69 Brc1ccc(c(c1)F)Br 1P00333C [0,2,0,0,0,0|1,0,0]=3 3262 B9R1.69 Brc1ccc(c(c1)F)C 1P003LDM [0,2,0,0,0,0|1,0,0]=3 3263 B9R1.69 Brc1ccc(c(c1)F)Cl 1P003LBH [0,2,0,0,0,0|1,0,0]=3 3264 B9R1.69 Brc1ccc(c(c1)F)F 1P003IXR [0,2,0,0,0,0|1,0,0]=3 3265 B9R1.69 Brc1ccc(c(c1)F)I 1P003EKW [0,2,0,0,0,0|1,0,0]=3 3266 B9R1.69 Brc1ccc(c(c1)F)N 1P000EPZ [0,2,0,0,0,0|1,0,0]=3 3267 B9R1.69 Brc1ccc(c(c1)F)N 1P0034E0 [0,2,0,0,0,0|1,0,0]=3 3268 B9R1.69 Brc1ccc(c(c1)F)O 1P002LB2 [0,2,0,0,0,0|0,0,0]=2 3269 B9R1.69 Brc1ccc(c(c1)F)S 1P002041 [0,2,0,0,0,0|0,1,0]=3 3270 B9R1.69 Brc1ccc(c(c1)I)Br 1P0041LJ [0,2,0,0,0,0|1,0,0]=3 3271 B9R1.69 Brc1ccc(c(c1)I)C 1P002S07 [0,2,0,0,0,0|1,0,0]=3 3272 B9R1.69 Brc1ccc(c(c1)I)Cl 1P0036D9 [0,2,0,0,0,0|1,0,0]=3 3273 B9R1.69 Brc1ccc(c(c1)I)F 1P000CK9 [0,2,0,0,0,0|1,0,0]=3 3274 B9R1.69 Brc1ccc(c(c1)I)I 1P00C4MT [0,2,0,0,0,0|1,0,0]=3 3275 B9R1.69 Brc1ccc(c(c1)I)N 1P0034E7 [0,2,0,0,0,0|1,0,0]=3 3276 B9R1.69 Brc1ccc(c(c1)I)O 1P002JAU [0,2,0,0,0,0|0,0,0]=2 3277 B9R1.69 Brc1ccc(c(c1)N)Br 1P00381C [0,2,0,0,0,0|1,0,0]=3 3278 B9R1.69 Brc1ccc(c(c1)N)C 1P003MYE [0,2,0,0,0,0|1,0,0]=3 3279 B9R1.69 Brc1ccc(c(c1)N)Cl 1P0034O6 [0,2,0,0,0,0|1,0,0]=3 3280 B9R1.69 Brc1ccc(c(c1)N)F 1P002YAJ [0,2,0,0,0,0|1,0,0]=3 3281 B9R1.69 Brc1ccc(c(c1)N)I 1P00EC4W [0,2,0,0,0,0|1,0,0]=3 3282 B9R1.69 Brc1ccc(c(c1)N)N 1P001PY2 [0,2,0,0,0,0|1,0,0]=3 3283 B9R1.69 Brc1ccc(c(c1)N)O 1P0033JV [0,2,0,0,0,0|0,0,0]=2 3284 B9R1.69 Brc1ccc(c(c1)N)S 1P008LQE [0,2,0,0,0,0|0,1,0]=3 3285 B9R1.69 Brc1ccc(c(c1)N)S 1P00H0OS [0,2,0,0,0,0|0,1,0]=3 3286 B9R1.69 Brc1ccc(c(c1)O)Br 1P00386D [0,2,0,0,0,0|0,0,0]=2 3287 B9R1.69 Brc1ccc(c(c1)O)C 1P00C182 [0,2,0,0,0,0|0,0,0]=2 3288 B9R1.69 Brc1ccc(c(c1)O)Cl 1P00I1WA [0,2,0,0,0,0|0,0,0]=2 3289 B9R1.69 Brc1ccc(c(c1)O)F 1P003MXQ [0,2,0,0,0,0|0,0,0]=2 3290 B9R1.69 Brc1ccc(c(c1)O)I 1P0039Z7 [0,2,0,0,0,0|0,0,0]=2 3291 B9R1.69 Brc1ccc(c(c1)O)N 1P003GXD [0,2,0,0,0,0|0,0,0]=2 3292 B9R1.69 Brc1ccc(c(c1)O)O 1P001ZEC [0,2,0,0,0,0|0,0,0]=2 3293 B9R1.69 Brc1ccc(c(c1)S)Br 1P01EW8E [0,2,0,0,0,0|0,1,0]=3 3294 B9R1.69 Brc1ccc(c(c1)S)C 1P01BL10 [0,2,0,0,0,0|0,1,0]=3 3295 B9R1.69 Brc1ccc(c(c1)S)Cl 1P01BL0U [0,2,0,0,0,0|0,1,0]=3 3296 B9R1.69 Brc1ccc(c(c1)S)F 1P01C12F [0,2,0,0,0,0|0,1,0]=3 3297 B9R1.69 Brc1ccc(c(c1)S)N 1P002NRC [0,2,0,0,0,0|0,1,0]=3 3298 B9R1.69 Brc1ccc(c(c1)S)N 1P01BDY0 [0,2,0,0,0,0|0,1,0]=3 3299 B9R1.69 Brc1ccc(c(n1)Br)Br 1P00BHGY [0,2,0,0,0,0|2,0,0]=4 3300 B9R1.69 Brc1ccc(c(n1)Br)C 1P00H1GW [0,2,0,0,0,0|2,0,0]=4 3301 B9R1.69 Brc1ccc(c(n1)Br)Cl 1P00E5LQ [0,2,0,0,0,0|2,0,0]=4 3302 B9R1.69 Brc1ccc(c(n1)Br)F 1P00C1FR [0,2,0,0,0,0|2,0,0]=4 3303 B9R1.69 Brc1ccc(c(n1)Br)N 1P00341B [0,2,0,0,0,0|2,0,0]=4 3304 B9R1.69 Brc1ccc(c(n1)Br)O 1P00FD4B [0,2,0,0,0,0|1,0,0]=3 3305 B9R1.69 Brc1ccc(c(n1)C)Br 1P003J6T [0,2,0,0,0,0|2,0,0]=4 3306 B9R1.69 Brc1ccc(c(n1)C)C 1P00IKOZ [0,2,0,0,0,0|2,0,0]=4 3307 B9R1.69 Brc1ccc(c(n1)C)Cl 1P005XXB [0,2,0,0,0,0|2,0,0]=4 3308 B9R1.69 Brc1ccc(c(n1)C)F 1P00I7U7 [0,2,0,0,0,0|2,0,0]=4 3309 B9R1.69 Brc1ccc(c(n1)C)N 1P000T17 [0,2,0,0,0,0|2,0,0]=4 3310 B9R1.69 Brc1ccc(c(n1)C)O 1P008YA4 [0,2,0,0,0,0|1,0,0]=3 3311 B9R1.69 Brc1ccc(c(n1)Cl)Br 1P0066CT [0,2,0,0,0,0|2,0,0]=4 3312 B9R1.69 Brc1ccc(c(n1)Cl)C 1P00K7SM [0,2,0,0,0,0|2,0,0]=4 3313 B9R1.69 Brc1ccc(c(n1)Cl)F 1P01DEGB [0,2,0,0,0,0|2,0,0]=4 3314 B9R1.69 Brc1ccc(c(n1)Cl)I 1P000ABA [0,2,0,0,0,0|2,0,0]=4 3315 B9R1.69 Brc1ccc(c(n1)Cl)N 1P00AQHY [0,2,0,0,0,0|2,0,0]=4 3316 B9R1.69 Brc1ccc(c(n1)Cl)O 1P00DGTR [0,2,0,0,0,0|1,0,0]=3 3317 B9R1.69 Brc1ccc(c(n1)F)Br 1P00HIVE [0,2,0,0,0,0|2,0,0]=4 3318 B9R1.69 Brc1ccc(c(n1)F)C 1P01BG32 [0,2,0,0,0,0|2,0,0]=4 3319 B9R1.69 Brc1ccc(c(n1)F)Cl 1P00HGFP [0,2,0,0,0,0|2,0,0]=4 3320 B9R1.69 Brc1ccc(c(n1)F)F 1P009K60 [0,2,0,0,0,0|2,0,0]=4 3321 B9R1.69 Brc1ccc(c(n1)F)I 1P01EHLM [0,2,0,0,0,0|2,0,0]=4 3322 B9R1.69 Brc1ccc(c(n1)F)N 1P00GB0A [0,2,0,0,0,0|2,0,0]=4 3323 B9R1.69 Brc1ccc(c(n1)F)O 1P004TUX [0,2,0,0,0,0|1,0,0]=3 3324 B9R1.69 Brc1ccc(c(n1)I)N 1P00H0ID [0,2,0,0,0,0|2,0,0]=4 3325 B9R1.69 Brc1ccc(c(n1)I)O 1P002H4G [0,2,0,0,0,0|1,0,0]=3 3326 B9R1.69 Brc1ccc(c(n1)N)Br 1P006V5M [0,2,0,0,0,0|2,0,0]=4 3327 B9R1.69 Brc1ccc(c(n1)N)C 1P003AHY [0,2,0,0,0,0|2,0,0]=4 3328 B9R1.69 Brc1ccc(c(n1)N)Cl 1P008YD2 [0,2,0,0,0,0|2,0,0]=4 3329 B9R1.69 Brc1ccc(c(n1)N)Cl 1P028R97 [0,2,0,0,0,0|2,0,0]=4 3330 B9R1.69 Brc1ccc(c(n1)N)F 1P009YUB [0,2,0,0,0,0|2,0,0]=4 3331 B9R1.69 Brc1ccc(c(n1)N)N 1P000Z8P [0,2,0,0,0,0|2,0,0]=4 3332 B9R1.69 Brc1ccc(c(n1)N)O 1P006FXZ [0,2,0,0,0,0|1,0,0]=3 3333 B9R1.69 Brc1ccc(c(n1)O)C 1P01UOVT [0,2,0,0,0,0|1,0,0]=3 3334 B9R1.69 Brc1ccc(c(n1)O)Cl 1P00HW0M [0,2,0,0,0,0|1,0,0]=3 3335 B9R1.69 Brc1ccc(c(n1)O)I 1P00I18L [0,2,0,0,0,0|1,0,0]=3 3336 B9R1.69 Brc1ccn(c(=O)c1)C 1P0038NF [0,2,0,0,0,0|1,0,1]=4 3337 B9R1.69 Brc1ccn(c(=O)c1)O 1P00JZDX [0,2,0,0,0,0|1,0,0]=3 3338 B9R1.69 Brc1cnc(c(c1)Br)Br 1P005UYN [0,2,0,0,0,0|2,0,0]=4 3339 B9R1.69 Brc1cnc(c(c1)Br)C 1P00I859 [0,2,0,0,0,0|2,0,0]=4 3340 B9R1.69 Brc1cnc(c(c1)Br)Cl 1P003HBS [0,2,0,0,0,0|2,0,0]=4 3341 B9R1.69 Brc1cnc(c(c1)Br)F 1P00DC7H [0,2,0,0,0,0|2,0,0]=4 3342 B9R1.69 Brc1cnc(c(c1)Br)I 1P00DA2Y [0,2,0,0,0,0|2,0,0]=4 3343 B9R1.69 Brc1cnc(c(c1)Br)N 1P003GTR [0,2,0,0,0,0|2,0,0]=4 3344 B9R1.69 Brc1cnc(c(c1)Br)O 1P0038AM [0,2,0,0,0,0|1,0,0]=3 3345 B9R1.69 Brc1cnc(c(c1)C)Br 1P003GDD [0,2,0,0,0,0|2,0,0]=4 3346 B9R1.69 Brc1cnc(c(c1)C)C 1P0038LA [0,2,0,0,0,0|2,0,0]=4 3347 B9R1.69 Brc1cnc(c(c1)C)Cl 1P002Y9Z [0,2,0,0,0,0|2,0,0]=4 3348 B9R1.69 Brc1cnc(c(c1)C)F 1P002YIG [0,2,0,0,0,0|2,0,0]=4 3349 B9R1.69 Brc1cnc(c(c1)C)I 1P00I7VP [0,2,0,0,0,0|2,0,0]=4 3350 B9R1.69 Brc1cnc(c(c1)C)N 1P0033K5 [0,2,0,0,0,0|2,0,0]=4 3351 B9R1.69 Brc1cnc(c(c1)Cl)Br 1P001SII [0,2,0,0,0,0|2,0,0]=4 3352 B9R1.69 Brc1cnc(c(c1)Cl)C 1P003MYU [0,2,0,0,0,0|2,0,0]=4 3353 B9R1.69 Brc1cnc(c(c1)Cl)Cl 1P00IKGN [0,2,0,0,0,0|2,0,0]=4 3354 B9R1.69 Brc1cnc(c(c1)Cl)F 1P0036MG [0,2,0,0,0,0|2,0,0]=4 3355 B9R1.69 Brc1cnc(c(c1)Cl)I 1P021OL1 [0,2,0,0,0,0|2,0,0]=4 3356 B9R1.69 Brc1cnc(c(c1)Cl)N 1P00I7ZH [0,2,0,0,0,0|2,0,0]=4 3357 B9R1.69 Brc1cnc(c(c1)F)Br 1P001PFV [0,2,0,0,0,0|2,0,0]=4 3358 B9R1.69 Brc1cnc(c(c1)F)C 1P000CJ4 [0,2,0,0,0,0|2,0,0]=4 3359 B9R1.69 Brc1cnc(c(c1)F)Cl 1P0034O2 [0,2,0,0,0,0|2,0,0]=4 3360 B9R1.69 Brc1cnc(c(c1)F)F 1P004NUR [0,2,0,0,0,0|2,0,0]=4 3361 B9R1.69 Brc1cnc(c(c1)F)I 1P01NRHQ [0,2,0,0,0,0|2,0,0]=4 3362 B9R1.69 Brc1cnc(c(c1)F)N 1P0036YQ [0,2,0,0,0,0|2,0,0]=4 3363 B9R1.69 Brc1cnc(c(c1)I)C 1P01Q51J [0,2,0,0,0,0|2,0,0]=4 3364 B9R1.69 Brc1cnc(c(c1)I)Cl 1P0037EC [0,2,0,0,0,0|2,0,0]=4 3365 B9R1.69 Brc1cnc(c(c1)I)F 1P019EBE [0,2,0,0,0,0|2,0,0]=4 3366 B9R1.69 Brc1cnc(c(c1)I)N 1P003GX0 [0,2,0,0,0,0|2,0,0]=4 3367 B9R1.69 Brc1cnc(c(c1)N)Br 1P006H5H [0,2,0,0,0,0|2,0,0]=4 3368 B9R1.69 Brc1cnc(c(c1)N)C 1P0034OF [0,2,0,0,0,0|2,0,0]=4 3369 B9R1.69 Brc1cnc(c(c1)N)Cl 1P003JCW [0,2,0,0,0,0|2,0,0]=4 3370 B9R1.69 Brc1cnc(c(c1)N)F 1P00341Q [0,2,0,0,0,0|2,0,0]=4 3371 B9R1.69 Brc1cnc(c(c1)N)I 1P0096FM [0,2,0,0,0,0|2,0,0]=4 3372 B9R1.69 Brc1cnc(c(c1)N)N 1P0034NZ [0,2,0,0,0,0|2,0,0]=4 3373 B9R1.69 Brc1cnc(c(c1)N)N 1P008UMH [0,2,0,0,0,0|2,0,0]=4 3374 B9R1.69 Brc1cnc(c(c1)N)O 1P00341T [0,2,0,0,0,0|1,0,0]=3 3375 B9R1.69 Brc1cnc(c(c1)O)Br 1P00G80D [0,2,0,0,0,0|1,0,0]=3 3376 B9R1.69 Brc1cnc(c(c1)O)C 1P00H1EF [0,2,0,0,0,0|1,0,0]=3 3377 B9R1.69 Brc1cnc(c(c1)O)Cl 1P002WL1 [0,2,0,0,0,0|1,0,0]=3 3378 B9R1.69 Brc1cnc(c(c1)O)F 1P0004FI [0,2,0,0,0,0|1,0,0]=3 3379 B9R1.69 Brc1cnc(c(c1)O)I 1P002H5G [0,2,0,0,0,0|1,0,0]=3 3380 B9R1.69 Brc1cnc(c(c1)O)N 1P0033SX [0,2,0,0,0,0|1,0,0]=3 3381 B9R1.69 Brc1cnc(c(c1)O)O 1P00C7LT [0,2,0,0,0,0|1,0,0]=3 3382 B9R1.69 Brc1cnc(c(n1)I)O 1P027YQR [0,2,0,0,0,0|2,0,0]=4 3383 B9R1.69 Brc1ncc(c(c1)Br)C 1P005CTF [0,2,0,0,0,0|2,0,0]=4 3384 B9R1.69 Brc1ncc(c(c1)Br)Cl 1P00IF4D [0,2,0,0,0,0|2,0,0]=4 3385 B9R1.69 Brc1ncc(c(c1)Br)F 1P000OUO [0,2,0,0,0,0|2,0,0]=4 3386 B9R1.69 Brc1ncc(c(c1)Br)N 1P00DIFE [0,2,0,0,0,0|2,0,0]=4 3387 B9R1.69 Brc1ncc(c(c1)C)Br 1P0033GO [0,2,0,0,0,0|2,0,0]=4 3388 B9R1.69 Brc1ncc(c(c1)C)C 1P006L7O [0,2,0,0,0,0|2,0,0]=4 3389 B9R1.69 Brc1ncc(c(c1)C)Cl 1P0036QZ [0,2,0,0,0,0|2,0,0]=4 3390 B9R1.69 Brc1ncc(c(c1)C)F 1P0036R0 [0,2,0,0,0,0|2,0,0]=4 3391 B9R1.69 Brc1ncc(c(c1)C)I 1P003H6L [0,2,0,0,0,0|2,0,0]=4 3392 B9R1.69 Brc1ncc(c(c1)C)N 1P001OZW [0,2,0,0,0,0|2,0,0]=4 3393 B9R1.69 Brc1ncc(c(c1)C)O 1P009YU8 [0,2,0,0,0,0|1,0,0]=3 3394 B9R1.69 Brc1ncc(c(c1)Cl)Br 1P007HFD [0,2,0,0,0,0|2,0,0]=4 3395 B9R1.69 Brc1ncc(c(c1)Cl)C 1P007HFE [0,2,0,0,0,0|2,0,0]=4 3396 B9R1.69 Brc1ncc(c(c1)Cl)Cl 1P00958D [0,2,0,0,0,0|2,0,0]=4 3397 B9R1.69 Brc1ncc(c(c1)Cl)F 1P008ZJU [0,2,0,0,0,0|2,0,0]=4 3398 B9R1.69 Brc1ncc(c(c1)Cl)I 1P0012C0 [0,2,0,0,0,0|2,0,0]=4 3399 B9R1.69 Brc1ncc(c(c1)F)Br 1P0096WZ [0,2,0,0,0,0|2,0,0]=4 3400 B9R1.69 Brc1ncc(c(c1)F)C 1P01KLHG [0,2,0,0,0,0|2,0,0]=4 3401 B9R1.69 Brc1ncc(c(c1)F)Cl 1P008Y0W [0,2,0,0,0,0|2,0,0]=4 3402 B9R1.69 Brc1ncc(c(c1)F)F 1P00K2XV [0,2,0,0,0,0|2,0,0]=4 3403 B9R1.69 Brc1ncc(c(c1)F)I 1P0022PU [0,2,0,0,0,0|2,0,0]=4 3404 B9R1.69 Brc1ncc(c(c1)I)Br 1P00954K [0,2,0,0,0,0|2,0,0]=4 3405 B9R1.69 Brc1ncc(c(c1)I)C 1P000JSP [0,2,0,0,0,0|2,0,0]=4 3406 B9R1.69 Brc1ncc(c(c1)I)Cl 1P009531 [0,2,0,0,0,0|2,0,0]=4 3407 B9R1.69 Brc1ncc(c(c1)I)F 1P007E3F [0,2,0,0,0,0|2,0,0]=4 3408 B9R1.69 Brc1ncc(c(c1)N)Br 1P00BKFR [0,2,0,0,0,0|2,0,0]=4 3409 B9R1.69 Brc1ncc(c(c1)N)C 1P005NQF [0,2,0,0,0,0|2,0,0]=4 3410 B9R1.69 Brc1ncc(c(c1)N)Cl 1P00K7VM [0,2,0,0,0,0|2,0,0]=4 3411 B9R1.69 Brc1ncc(c(c1)N)F 1P004DSY [0,2,0,0,0,0|2,0,0]=4 3412 B9R1.69 Brc1ncc(c(c1)N)I 1P000UFJ [0,2,0,0,0,0|2,0,0]=4 3413 B9R1.69 Brc1ncc(c(c1)N)N 1P003AAS [0,2,0,0,0,0|2,0,0]=4 3414 B9R1.69 Brc1ncc(c(c1)N)O 1P019GGS [0,2,0,0,0,0|1,0,0]=3 3415 B9R1.69 Brc1ncc(c(c1)O)Br 1P0094I6 [0,2,0,0,0,0|1,0,0]=3 3416 B9R1.69 Brc1ncc(c(c1)O)C 1P000JS1 [0,2,0,0,0,0|1,0,0]=3 3417 B9R1.69 Brc1ncc(c(c1)O)Cl 1P000PRM [0,2,0,0,0,0|1,0,0]=3 3418 B9R1.69 Brc1ncc(c(c1)O)F 1P000PS1 [0,2,0,0,0,0|1,0,0]=3 3419 B9R1.69 Brc1ncc(c(c1)O)N 1P0281SF [0,2,0,0,0,0|1,0,0]=3 3420 B9R1.69 Cc1c(C)ccc(=O)[nH]1 1P007MBC [0,2,0,0,0,0|1,0,1]=4 3421 B9R1.69 Cc1c(I)ccc(=O)[nH]1 1P00619X [0,2,0,0,0,0|1,0,1]=4 3422 B9R1.69 Cc1c(N)ccc(=O)[nH]1 1P00H0IA [0,2,0,0,0,0|1,0,1]=4 3423 B9R1.69 Cc1c[nH]c(=O)cc1N 1P003A4F [0,2,0,0,0,0|1,0,1]=4 3424 B9R1.69 Cc1cc(Br)c[nH]c1=O 1P004291 [0,2,0,0,0,0|1,0,1]=4 3425 B9R1.69 Cc1cc(C)c[nH]c1=O 1P01CAVC [0,2,0,0,0,0|1,0,1]=4 3426 B9R1.69 Cc1cc(C)c[nH]c1=S 1P00AI78 [0,2,0,0,0,0|1,1,0]=4 3427 B9R1.69 Cc1cc(I)c(=O)[nH]c1 1P003HUJ [0,2,0,0,0,0|1,0,1]=4 3428 B9R1.69 Cc1cc(I)c[nH]c1=O 1P002VHX [0,2,0,0,0,0|1,0,1]=4 3429 B9R1.69 Cc1cc(N)c(=O)[nH]c1 1P003HUG [0,2,0,0,0,0|1,0,1]=4 3430 B9R1.69 Cc1cc(N)c[nH]c1=O 1P01A3A4 [0,2,0,0,0,0|1,0,1]=4 3431 B9R1.69 Cc1cc[n+](c(c1)C)[O-] 1P007C9H [0,2,0,0,0,0|1,0,1]=4 3432 B9R1.69 Cc1cc[n+](c(c1)Cl)[O-] 1P006VAU [0,2,0,0,0,0|1,0,1]=4 3433 B9R1.69 Cc1ccc(=N)[nH]c1N 1P00DJKY [0,2,0,0,0,0|2,0,0]=4 3434 B9R1.69 Cc1ccc(=O)[nH]c1Cl 1P01SETC [0,2,0,0,0,0|1,0,1]=4 3435 B9R1.69 Cc1ccc(=O)[nH]c1N 1P00DK3F [0,2,0,0,0,0|1,0,1]=4 3436 B9R1.69 Cc1ccc(=O)[nH]c1N 1P028L3G [0,2,0,0,0,0|1,0,1]=4 3437 B9R1.69 Cc1ccc([n+](c1)[O-])Br 1P002GA4 [0,2,0,0,0,0|1,0,1]=4 3438 B9R1.69 Cc1ccc([n+](c1)[O-])C 1P00DVV5 [0,2,0,0,0,0|1,0,1]=4 3439 B9R1.69 Cc1ccc([n+](c1)[O-])Cl 1P007RI2 [0,2,0,0,0,0|1,0,1]=4 3440 B9R1.69 Cc1ccc(c(=O)[nH]1)Br 1P00380Z [0,2,0,0,0,0|1,0,1]=4 3441 B9R1.69 Cc1ccc(c(c1)Br)Br 1P003IWH [0,2,0,0,0,0|1,0,0]=3 3442 B9R1.69 Cc1ccc(c(c1)Br)C 1P003H9M [0,2,0,0,0,0|1,0,0]=3 3443 B9R1.69 Cc1ccc(c(c1)Br)Cl 1P00IAOD [0,2,0,0,0,0|1,0,0]=3 3444 B9R1.69 Cc1ccc(c(c1)Br)F 1P003JIH [0,2,0,0,0,0|1,0,0]=3 3445 B9R1.69 Cc1ccc(c(c1)Br)I 1P00FAJ7 [0,2,0,0,0,0|1,0,0]=3 3446 B9R1.69 Cc1ccc(c(c1)Br)N 1P0010F1 [0,2,0,0,0,0|1,0,0]=3 3447 B9R1.69 Cc1ccc(c(c1)Br)N 1P003H58 [0,2,0,0,0,0|1,0,0]=3 3448 B9R1.69 Cc1ccc(c(c1)Br)O 1P003H5B [0,2,0,0,0,0|0,0,0]=2 3449 B9R1.69 Cc1ccc(c(c1)Br)S 1P00AQIF [0,2,0,0,0,0|0,1,0]=3 3450 B9R1.69 Cc1ccc(c(c1)C)Br 1P003GB4 [0,2,0,0,0,0|1,0,0]=3 3451 B9R1.69 Cc1ccc(c(c1)C)C 1P003DRZ [0,2,0,0,0,0|1,0,0]=3 3452 B9R1.69 Cc1ccc(c(c1)C)Cl 1P00IJ5B [0,2,0,0,0,0|1,0,0]=3 3453 B9R1.69 Cc1ccc(c(c1)C)F 1P0070HN [0,2,0,0,0,0|1,0,0]=3 3454 B9R1.69 Cc1ccc(c(c1)C)I 1P00397C [0,2,0,0,0,0|1,0,0]=3 3455 B9R1.69 Cc1ccc(c(c1)C)N 1P0038ZN [0,2,0,0,0,0|1,0,0]=3 3456 B9R1.69 Cc1ccc(c(c1)C)N 1P003GAX [0,2,0,0,0,0|1,0,0]=3 3457 B9R1.69 Cc1ccc(c(c1)C)O 1P0084MS [0,2,0,0,0,0|0,0,0]=2 3458 B9R1.69 Cc1ccc(c(c1)C)S 1P0033GE [0,2,0,0,0,0|0,1,0]=3 3459 B9R1.69 Cc1ccc(c(c1)Cl)Br 1P003LEP [0,2,0,0,0,0|1,0,0]=3 3460 B9R1.69 Cc1ccc(c(c1)Cl)C 1P003HB6 [0,2,0,0,0,0|1,0,0]=3 3461 B9R1.69 Cc1ccc(c(c1)Cl)Cl 1P003IX8 [0,2,0,0,0,0|1,0,0]=3 3462 B9R1.69 Cc1ccc(c(c1)Cl)F 1P001NPP [0,2,0,0,0,0|1,0,0]=3 3463 B9R1.69 Cc1ccc(c(c1)Cl)I 1P000DDR [0,2,0,0,0,0|1,0,0]=3 3464 B9R1.69 Cc1ccc(c(c1)Cl)N 1P003HE3 [0,2,0,0,0,0|1,0,0]=3 3465 B9R1.69 Cc1ccc(c(c1)Cl)O 1P0033OP [0,2,0,0,0,0|0,0,0]=2 3466 B9R1.69 Cc1ccc(c(c1)Cl)S 1P01EWUM [0,2,0,0,0,0|0,1,0]=3 3467 B9R1.69 Cc1ccc(c(c1)F)Br 1P003LEW [0,2,0,0,0,0|1,0,0]=3 3468 B9R1.69 Cc1ccc(c(c1)F)C 1P00FEJW [0,2,0,0,0,0|1,0,0]=3 3469 B9R1.69 Cc1ccc(c(c1)F)Cl 1P00IABK [0,2,0,0,0,0|1,0,0]=3 3470 B9R1.69 Cc1ccc(c(c1)F)F 1P002YDV [0,2,0,0,0,0|1,0,0]=3 3471 B9R1.69 Cc1ccc(c(c1)F)I 1P003JWM [0,2,0,0,0,0|1,0,0]=3 3472 B9R1.69 Cc1ccc(c(c1)F)N 1P0033RS [0,2,0,0,0,0|1,0,0]=3 3473 B9R1.69 Cc1ccc(c(c1)F)O 1P003HQ9 [0,2,0,0,0,0|0,0,0]=2 3474 B9R1.69 Cc1ccc(c(c1)F)S 1P01F0N3 [0,2,0,0,0,0|0,1,0]=3 3475 B9R1.69 Cc1ccc(c(c1)I)Br 1P003EJX [0,2,0,0,0,0|1,0,0]=3 3476 B9R1.69 Cc1ccc(c(c1)I)C 1P003E5F [0,2,0,0,0,0|1,0,0]=3 3477 B9R1.69 Cc1ccc(c(c1)I)Cl 1P00BOLX [0,2,0,0,0,0|1,0,0]=3 3478 B9R1.69 Cc1ccc(c(c1)I)F 1P003ESJ [0,2,0,0,0,0|1,0,0]=3 3479 B9R1.69 Cc1ccc(c(c1)I)I 1P001VTM [0,2,0,0,0,0|1,0,0]=3 3480 B9R1.69 Cc1ccc(c(c1)I)N 1P002YFM [0,2,0,0,0,0|1,0,0]=3 3481 B9R1.69 Cc1ccc(c(c1)I)O 1P001WF2 [0,2,0,0,0,0|0,0,0]=2 3482 B9R1.69 Cc1ccc(c(c1)N)Br 1P003H6Q [0,2,0,0,0,0|1,0,0]=3 3483 B9R1.69 Cc1ccc(c(c1)N)C 1P003GGB [0,2,0,0,0,0|1,0,0]=3 3484 B9R1.69 Cc1ccc(c(c1)N)C 1P00DHID [0,2,0,0,0,0|1,0,0]=3 3485 B9R1.69 Cc1ccc(c(c1)N)Cl 1P0033P4 [0,2,0,0,0,0|1,0,0]=3 3486 B9R1.69 Cc1ccc(c(c1)N)F 1P0033S2 [0,2,0,0,0,0|1,0,0]=3 3487 B9R1.69 Cc1ccc(c(c1)N)I 1P0010F3 [0,2,0,0,0,0|1,0,0]=3 3488 B9R1.69 Cc1ccc(c(c1)N)N 1P003IW6 [0,2,0,0,0,0|1,0,0]=3 3489 B9R1.69 Cc1ccc(c(c1)N)O 1P003H0G [0,2,0,0,0,0|0,0,0]=2 3490 B9R1.69 Cc1ccc(c(c1)N)O 1P003H0H [0,2,0,0,0,0|0,0,0]=2 3491 B9R1.69 Cc1ccc(c(c1)N)S 1P00BFWQ [0,2,0,0,0,0|0,1,0]=3 3492 B9R1.69 Cc1ccc(c(c1)O)Br 1P003H6U [0,2,0,0,0,0|0,0,0]=2 3493 B9R1.69 Cc1ccc(c(c1)O)C 1P005XF1 [0,2,0,0,0,0|0,0,0]=2 3494 B9R1.69 Cc1ccc(c(c1)O)Cl 1P003HFU [0,2,0,0,0,0|0,0,0]=2 3495 B9R1.69 Cc1ccc(c(c1)O)F 1P0036BO [0,2,0,0,0,0|0,0,0]=2 3496 B9R1.69 Cc1ccc(c(c1)O)I 1P00I7L1 [0,2,0,0,0,0|0,0,0]=2 3497 B9R1.69 Cc1ccc(c(c1)O)N 1P003GY2 [0,2,0,0,0,0|0,0,0]=2 3498 B9R1.69 Cc1ccc(c(c1)O)O 1P003M8C [0,2,0,0,0,0|0,0,0]=2 3499 B9R1.69 Cc1ccc(c(c1)O)S 1P028M8S [0,2,0,0,0,0|0,0,0]=2 3500 B9R1.69 Cc1ccc(c(c1)S)C 1P003GGD [0,2,0,0,0,0|0,1,0]=3 3501 B9R1.69 Cc1ccc(c(c1)S)F 1P01BL0T [0,2,0,0,0,0|0,1,0]=3 3502 B9R1.69 Cc1ccc(c(c1)S)N 1P002NRB [0,2,0,0,0,0|0,1,0]=3 3503 B9R1.69 Cc1ccc(c(c1)S)S 1P003VAU [0,2,0,0,0,0|0,1,0]=3 3504 B9R1.69 Cc1ccc(c(n1)Br)Br 1P002SA5 [0,2,0,0,0,0|2,0,0]=4 3505 B9R1.69 Cc1ccc(c(n1)Br)C 1P00I85A [0,2,0,0,0,0|2,0,0]=4 3506 B9R1.69 Cc1ccc(c(n1)Br)Cl 1P00HGG0 [0,2,0,0,0,0|2,0,0]=4 3507 B9R1.69 Cc1ccc(c(n1)Br)F 1P0033LN [0,2,0,0,0,0|2,0,0]=4 3508 B9R1.69 Cc1ccc(c(n1)Br)I 1P01K52X [0,2,0,0,0,0|2,0,0]=4 3509 B9R1.69 Cc1ccc(c(n1)Br)N 1P000T13 [0,2,0,0,0,0|2,0,0]=4 3510 B9R1.69 Cc1ccc(c(n1)Br)O 1P002MAW [0,2,0,0,0,0|1,0,0]=3 3511 B9R1.69 Cc1ccc(c(n1)C)Br 1P00399L [0,2,0,0,0,0|2,0,0]=4 3512 B9R1.69 Cc1ccc(c(n1)C)N 1P00C05N [0,2,0,0,0,0|2,0,0]=4 3513 B9R1.69 Cc1ccc(c(n1)C)O 1P003GM4 [0,2,0,0,0,0|1,0,0]=3 3514 B9R1.69 Cc1ccc(c(n1)Cl)Br 1P00383N [0,2,0,0,0,0|2,0,0]=4 3515 B9R1.69 Cc1ccc(c(n1)Cl)C 1P00FFTD [0,2,0,0,0,0|2,0,0]=4 3516 B9R1.69 Cc1ccc(c(n1)Cl)Cl 1P003FXZ [0,2,0,0,0,0|2,0,0]=4 3517 B9R1.69 Cc1ccc(c(n1)Cl)F 1P0036AW [0,2,0,0,0,0|2,0,0]=4 3518 B9R1.69 Cc1ccc(c(n1)Cl)N 1P00BXUE [0,2,0,0,0,0|2,0,0]=4 3519 B9R1.69 Cc1ccc(c(n1)Cl)N 1P01A1XK [0,2,0,0,0,0|2,0,0]=4 3520 B9R1.69 Cc1ccc(c(n1)Cl)O 1P00C7KI [0,2,0,0,0,0|1,0,0]=3 3521 B9R1.69 Cc1ccc(c(n1)Cl)[S-] 1P0283DD [0,2,0,0,0,0|1,1,0]=4 3522 B9R1.69 Cc1ccc(c(n1)F)Br 1P00I7UX [0,2,0,0,0,0|2,0,0]=4 3523 B9R1.69 Cc1ccc(c(n1)F)Cl 1P00HHDN [0,2,0,0,0,0|2,0,0]=4 3524 B9R1.69 Cc1ccc(c(n1)F)F 1P00HHDO [0,2,0,0,0,0|2,0,0]=4 3525 B9R1.69 Cc1ccc(c(n1)F)I 1P004F34 [0,2,0,0,0,0|2,0,0]=4 3526 B9R1.69 Cc1ccc(c(n1)F)N 1P00I7U6 [0,2,0,0,0,0|2,0,0]=4 3527 B9R1.69 Cc1ccc(c(n1)F)O 1P002KMK [0,2,0,0,0,0|1,0,0]=3 3528 B9R1.69 Cc1ccc(c(n1)I)Br 1P0282T9 [0,2,0,0,0,0|2,0,0]=4 3529 B9R1.69 Cc1ccc(c(n1)I)N 1P00A0SK [0,2,0,0,0,0|2,0,0]=4 3530 B9R1.69 Cc1ccc(c(n1)I)O 1P002MAX [0,2,0,0,0,0|1,0,0]=3 3531 B9R1.69 Cc1ccc(c(n1)N)Br 1P000T18 [0,2,0,0,0,0|2,0,0]=4 3532 B9R1.69 Cc1ccc(c(n1)N)C 1P0036XS [0,2,0,0,0,0|2,0,0]=4 3533 B9R1.69 Cc1ccc(c(n1)N)F 1P00HGEG [0,2,0,0,0,0|2,0,0]=4 3534 B9R1.69 Cc1ccc(c(n1)N)F 1P027TZX [0,2,0,0,0,0|2,0,0]=4 3535 B9R1.69 Cc1ccc(c(n1)N)I 1P003GUD [0,2,0,0,0,0|2,0,0]=4 3536 B9R1.69 Cc1ccc(c(n1)N)N 1P003NRN [0,2,0,0,0,0|2,0,0]=4 3537 B9R1.69 Cc1ccc(c(n1)N)N 1P00G3UQ [0,2,0,0,0,0|2,0,0]=4 3538 B9R1.69 Cc1ccc(c(n1)N)O 1P0029DI [0,2,0,0,0,0|1,0,0]=3 3539 B9R1.69 Cc1ccc(c(n1)O)N 1P00DEEK [0,2,0,0,0,0|1,0,0]=3 3540 B9R1.69 Cc1ccc(c(n1)S)Br 1P027WKI [0,2,0,0,0,0|1,1,0]=4 3541 B9R1.69 Cc1ccn(c(=S)c1)O 1P01A7FO [0,2,0,0,0,0|1,0,0]=3 3542 B9R1.69 Cc1cnc(c(c1)Br)Br 1P002Y9L [0,2,0,0,0,0|2,0,0]=4 3543 B9R1.69 Cc1cnc(c(c1)Br)C 1P00ACIW [0,2,0,0,0,0|2,0,0]=4 3544 B9R1.69 Cc1cnc(c(c1)Br)Cl 1P003HBY [0,2,0,0,0,0|2,0,0]=4 3545 B9R1.69 Cc1cnc(c(c1)Br)F 1P003JH3 [0,2,0,0,0,0|2,0,0]=4 3546 B9R1.69 Cc1cnc(c(c1)Br)I 1P009Y0E [0,2,0,0,0,0|2,0,0]=4 3547 B9R1.69 Cc1cnc(c(c1)Br)N 1P003NJB [0,2,0,0,0,0|2,0,0]=4 3548 B9R1.69 Cc1cnc(c(c1)Br)O 1P003JH6 [0,2,0,0,0,0|1,0,0]=3 3549 B9R1.69 Cc1cnc(c(c1)C)Br 1P003H37 [0,2,0,0,0,0|2,0,0]=4 3550 B9R1.69 Cc1cnc(c(c1)C)C 1P0033DW [0,2,0,0,0,0|2,0,0]=4 3551 B9R1.69 Cc1cnc(c(c1)C)Cl 1P00FCS9 [0,2,0,0,0,0|2,0,0]=4 3552 B9R1.69 Cc1cnc(c(c1)C)F 1P008YA5 [0,2,0,0,0,0|2,0,0]=4 3553 B9R1.69 Cc1cnc(c(c1)C)I 1P00721G [0,2,0,0,0,0|2,0,0]=4 3554 B9R1.69 Cc1cnc(c(c1)C)N 1P0033JL [0,2,0,0,0,0|2,0,0]=4 3555 B9R1.69 Cc1cnc(c(c1)C)N 1P00J2ZQ [0,2,0,0,0,0|2,0,0]=4 3556 B9R1.69 Cc1cnc(c(c1)Cl)Br 1P003A01 [0,2,0,0,0,0|2,0,0]=4 3557 B9R1.69 Cc1cnc(c(c1)Cl)Cl 1P003GDP [0,2,0,0,0,0|2,0,0]=4 3558 B9R1.69 Cc1cnc(c(c1)Cl)F 1P003ARZ [0,2,0,0,0,0|2,0,0]=4 3559 B9R1.69 Cc1cnc(c(c1)Cl)N 1P003BMQ [0,2,0,0,0,0|2,0,0]=4 3560 B9R1.69 Cc1cnc(c(c1)F)Br 1P0038HE [0,2,0,0,0,0|2,0,0]=4 3561 B9R1.69 Cc1cnc(c(c1)F)Cl 1P003HC2 [0,2,0,0,0,0|2,0,0]=4 3562 B9R1.69 Cc1cnc(c(c1)F)F 1P000JUT [0,2,0,0,0,0|2,0,0]=4 3563 B9R1.69 Cc1cnc(c(c1)F)N 1P009YMR [0,2,0,0,0,0|2,0,0]=4 3564 B9R1.69 Cc1cnc(c(c1)I)Br 1P003H3L [0,2,0,0,0,0|2,0,0]=4 3565 B9R1.69 Cc1cnc(c(c1)I)Cl 1P00EDC8 [0,2,0,0,0,0|2,0,0]=4 3566 B9R1.69 Cc1cnc(c(c1)I)F 1P003HPE [0,2,0,0,0,0|2,0,0]=4 3567 B9R1.69 Cc1cnc(c(c1)I)N 1P002LQ7 [0,2,0,0,0,0|2,0,0]=4 3568 B9R1.69 Cc1cnc(c(c1)N)Br 1P00341C [0,2,0,0,0,0|2,0,0]=4 3569 B9R1.69 Cc1cnc(c(c1)N)C 1P00H4Y1 [0,2,0,0,0,0|2,0,0]=4 3570 B9R1.69 Cc1cnc(c(c1)N)C 1P028GXB [0,2,0,0,0,0|2,0,0]=4 3571 B9R1.69 Cc1cnc(c(c1)N)Cl 1P007FD7 [0,2,0,0,0,0|2,0,0]=4 3572 B9R1.69 Cc1cnc(c(c1)N)F 1P001ZDA [0,2,0,0,0,0|2,0,0]=4 3573 B9R1.69 Cc1cnc(c(c1)N)N 1P002PC5 [0,2,0,0,0,0|2,0,0]=4 3574 B9R1.69 Cc1cnc(c(c1)N)N 1P027XYR [0,2,0,0,0,0|2,0,0]=4 3575 B9R1.69 Cc1cnc(c(c1)O)Br 1P00029E [0,2,0,0,0,0|1,0,0]=3 3576 B9R1.69 Cc1cnc(c(c1)O)C 1P00AKXZ [0,2,0,0,0,0|1,0,0]=3 3577 B9R1.69 Cc1cnc(c(c1)O)Cl 1P006RPN [0,2,0,0,0,0|1,0,0]=3 3578 B9R1.69 Cc1cnc(c(c1)O)F 1P008WFV [0,2,0,0,0,0|1,0,0]=3 3579 B9R1.69 Cc1cnc(c(c1)O)N 1P0029DH [0,2,0,0,0,0|1,0,0]=3 3580 B9R1.69 Cc1cnc(c(n1)C)O 1P0036KJ [0,2,0,0,0,0|2,0,0]=4 3581 B9R1.69 Cc1ncc(c(c1)Br)Br 1P00IN65 [0,2,0,0,0,0|2,0,0]=4 3582 B9R1.69 Cc1ncc(c(c1)Br)C 1P0038P0 [0,2,0,0,0,0|2,0,0]=4 3583 B9R1.69 Cc1ncc(c(c1)Br)Cl 1P009MEJ [0,2,0,0,0,0|2,0,0]=4 3584 B9R1.69 Cc1ncc(c(c1)Br)Cl 1P00IM5A [0,2,0,0,0,0|2,0,0]=4 3585 B9R1.69 Cc1ncc(c(c1)Br)F 1P003AJU [0,2,0,0,0,0|2,0,0]=4 3586 B9R1.69 Cc1ncc(c(c1)Br)N 1P007ELG [0,2,0,0,0,0|2,0,0]=4 3587 B9R1.69 Cc1ncc(c(c1)Br)O 1P000OV7 [0,2,0,0,0,0|1,0,0]=3 3588 B9R1.69 Cc1ncc(c(c1)C)Br 1P00C4P0 [0,2,0,0,0,0|2,0,0]=4 3589 B9R1.69 Cc1ncc(c(c1)C)N 1P000J0K [0,2,0,0,0,0|2,0,0]=4 3590 B9R1.69 Cc1ncc(c(c1)Cl)Br 1P000294 [0,2,0,0,0,0|2,0,0]=4 3591 B9R1.69 Cc1ncc(c(c1)Cl)C 1P007PEZ [0,2,0,0,0,0|2,0,0]=4 3592 B9R1.69 Cc1ncc(c(c1)Cl)F 1P00ACKD [0,2,0,0,0,0|2,0,0]=4 3593 B9R1.69 Cc1ncc(c(c1)Cl)N 1P01DL3Y [0,2,0,0,0,0|2,0,0]=4 3594 B9R1.69 Cc1ncc(c(c1)I)F 1P02235K [0,2,0,0,0,0|2,0,0]=4 3595 B9R1.69 Cc1ncc(c(c1)N)Br 1P007HFV [0,2,0,0,0,0|2,0,0]=4 3596 B9R1.69 Cc1ncc(c(c1)N)C 1P00BGL8 [0,2,0,0,0,0|2,0,0]=4 3597 B9R1.69 Cc1ncc(c(c1)N)Cl 1P003L6P [0,2,0,0,0,0|2,0,0]=4 3598 B9R1.69 Cc1ncc(c(c1)N)F 1P003L6Q [0,2,0,0,0,0|2,0,0]=4 3599 B9R1.69 Cc1ncc(c(c1)N)I 1P004RX1 [0,2,0,0,0,0|2,0,0]=4 3600 B9R1.69 Cc1ncc(c(c1)N)N 1P004UDT [0,2,0,0,0,0|2,0,0]=4 3601 B9R1.69 Cc1ncc(c(c1)N)O 1P028L7I [0,2,0,0,0,0|1,0,0]=3 3602 B9R1.69 Cc1ncc(c(c1)O)Br 1P000P9H [0,2,0,0,0,0|1,0,0]=3 3603 B9R1.69 Cc1ncc(c(n1)C)O 1P00C794 [0,2,0,0,0,0|2,0,0]=4 3604 B9R1.69 Cc1ncc(c(n1)O)F 1P006UVM [0,2,0,0,0,0|2,0,0]=4 3605 B9R1.69 Cc1nnc(c(c1)O)C 1P028PNF [0,2,0,0,0,0|2,0,0]=4 3606 B9R1.69 Clc1c(Br)ccc(=O)[nH]1 1P000JVH [0,2,0,0,0,0|1,0,1]=4 3607 B9R1.69 Clc1c(Cl)ccc(=O)[nH]1 1P002OW4 [0,2,0,0,0,0|1,0,1]=4 3608 B9R1.69 Clc1c[nH]c(=O)cc1Cl 1P004TL9 [0,2,0,0,0,0|1,0,1]=4 3609 B9R1.69 Clc1cc(Br)c(=O)[nH]c1 1P00143N [0,2,0,0,0,0|1,0,1]=4 3610 B9R1.69 Clc1cc(Br)c[nH]c1=O 1P00IATU [0,2,0,0,0,0|1,0,1]=4 3611 B9R1.69 Clc1cc(Cl)c[nH]c1=O 1P00IA69 [0,2,0,0,0,0|1,0,1]=4 3612 B9R1.69 Clc1cc(I)c(=O)[nH]c1 1P002H4H [0,2,0,0,0,0|1,0,1]=4 3613 B9R1.69 Clc1ccc([n+](c1)C)N 1P01EV58 [0,2,0,0,0,0|2,0,0]=4 3614 B9R1.69 Clc1ccc([n+](c1)[O-])C 1P01KYWG [0,2,0,0,0,0|1,0,1]=4 3615 B9R1.69 Clc1ccc(c(=O)[nH]1)Br 1P00GNEE [0,2,0,0,0,0|1,0,1]=4 3616 B9R1.69 Clc1ccc(c(=O)[nH]1)C 1P000SBF [0,2,0,0,0,0|1,0,1]=4 3617 B9R1.69 Clc1ccc(c(=O)[nH]1)Cl 1P01I7DS [0,2,0,0,0,0|1,0,1]=4 3618 B9R1.69 Clc1ccc(c(=O)[nH]1)F 1P00132U [0,2,0,0,0,0|1,0,1]=4 3619 B9R1.69 Clc1ccc(c(=S)[nH]1)N 1P01FLO6 [0,2,0,0,0,0|1,1,0]=4 3620 B9R1.69 Clc1ccc(c(c1)Br)Br 1P00EGG3 [0,2,0,0,0,0|1,0,0]=3 3621 B9R1.69 Clc1ccc(c(c1)Br)C 1P003H4N [0,2,0,0,0,0|1,0,0]=3 3622 B9R1.69 Clc1ccc(c(c1)Br)Cl 1P00HXEB [0,2,0,0,0,0|1,0,0]=3 3623 B9R1.69 Clc1ccc(c(c1)Br)F 1P002CON [0,2,0,0,0,0|1,0,0]=3 3624 B9R1.69 Clc1ccc(c(c1)Br)I 1P00BZ6H [0,2,0,0,0,0|1,0,0]=3 3625 B9R1.69 Clc1ccc(c(c1)Br)N 1P0036S5 [0,2,0,0,0,0|1,0,0]=3 3626 B9R1.69 Clc1ccc(c(c1)Br)O 1P0032Q4 [0,2,0,0,0,0|0,0,0]=2 3627 B9R1.69 Clc1ccc(c(c1)Br)S 1P00DJSD [0,2,0,0,0,0|0,1,0]=3 3628 B9R1.69 Clc1ccc(c(c1)C)Br 1P001KUZ [0,2,0,0,0,0|1,0,0]=3 3629 B9R1.69 Clc1ccc(c(c1)C)C 1P003LIM [0,2,0,0,0,0|1,0,0]=3 3630 B9R1.69 Clc1ccc(c(c1)C)Cl 1P003GEL [0,2,0,0,0,0|1,0,0]=3 3631 B9R1.69 Clc1ccc(c(c1)C)F 1P003N3E [0,2,0,0,0,0|1,0,0]=3 3632 B9R1.69 Clc1ccc(c(c1)C)I 1P002NJK [0,2,0,0,0,0|1,0,0]=3 3633 B9R1.69 Clc1ccc(c(c1)C)N 1P0034FY [0,2,0,0,0,0|1,0,0]=3 3634 B9R1.69 Clc1ccc(c(c1)C)O 1P00HYW3 [0,2,0,0,0,0|0,0,0]=2 3635 B9R1.69 Clc1ccc(c(c1)C)S 1P007E8J [0,2,0,0,0,0|0,1,0]=3 3636 B9R1.69 Clc1ccc(c(c1)Cl)Br 1P000J0J [0,2,0,0,0,0|1,0,0]=3 3637 B9R1.69 Clc1ccc(c(c1)Cl)Cl 1P000QI8 [0,2,0,0,0,0|1,0,0]=3 3638 B9R1.69 Clc1ccc(c(c1)Cl)F 1P003329 [0,2,0,0,0,0|1,0,0]=3 3639 B9R1.69 Clc1ccc(c(c1)Cl)I 1P003G6P [0,2,0,0,0,0|1,0,0]=3 3640 B9R1.69 Clc1ccc(c(c1)Cl)N 1P003G7O [0,2,0,0,0,0|1,0,0]=3 3641 B9R1.69 Clc1ccc(c(c1)Cl)O 1P000QI7 [0,2,0,0,0,0|0,0,0]=2 3642 B9R1.69 Clc1ccc(c(c1)Cl)S 1P003G8I [0,2,0,0,0,0|0,1,0]=3 3643 B9R1.69 Clc1ccc(c(c1)F)Br 1P002COO [0,2,0,0,0,0|1,0,0]=3 3644 B9R1.69 Clc1ccc(c(c1)F)C 1P003LJZ [0,2,0,0,0,0|1,0,0]=3 3645 B9R1.69 Clc1ccc(c(c1)F)Cl 1P003GE5 [0,2,0,0,0,0|1,0,0]=3 3646 B9R1.69 Clc1ccc(c(c1)F)F 1P003EOJ [0,2,0,0,0,0|1,0,0]=3 3647 B9R1.69 Clc1ccc(c(c1)F)I 1P003LJN [0,2,0,0,0,0|1,0,0]=3 3648 B9R1.69 Clc1ccc(c(c1)F)N 1P003LJQ [0,2,0,0,0,0|1,0,0]=3 3649 B9R1.69 Clc1ccc(c(c1)F)O 1P0034FV [0,2,0,0,0,0|0,0,0]=2 3650 B9R1.69 Clc1ccc(c(c1)F)S 1P01BL0G [0,2,0,0,0,0|0,1,0]=3 3651 B9R1.69 Clc1ccc(c(c1)I)Br 1P001LPG [0,2,0,0,0,0|1,0,0]=3 3652 B9R1.69 Clc1ccc(c(c1)I)C 1P00C7LK [0,2,0,0,0,0|1,0,0]=3 3653 B9R1.69 Clc1ccc(c(c1)I)Cl 1P002ZKY [0,2,0,0,0,0|1,0,0]=3 3654 B9R1.69 Clc1ccc(c(c1)I)F 1P000CK8 [0,2,0,0,0,0|1,0,0]=3 3655 B9R1.69 Clc1ccc(c(c1)I)N 1P003LK2 [0,2,0,0,0,0|1,0,0]=3 3656 B9R1.69 Clc1ccc(c(c1)I)O 1P0064X7 [0,2,0,0,0,0|0,0,0]=2 3657 B9R1.69 Clc1ccc(c(c1)N)Br 1P003H60 [0,2,0,0,0,0|1,0,0]=3 3658 B9R1.69 Clc1ccc(c(c1)N)C 1P003GVR [0,2,0,0,0,0|1,0,0]=3 3659 B9R1.69 Clc1ccc(c(c1)N)C 1P005XUA [0,2,0,0,0,0|1,0,0]=3 3660 B9R1.69 Clc1ccc(c(c1)N)Cl 1P006BE9 [0,2,0,0,0,0|1,0,0]=3 3661 B9R1.69 Clc1ccc(c(c1)N)F 1P002LD0 [0,2,0,0,0,0|1,0,0]=3 3662 B9R1.69 Clc1ccc(c(c1)N)I 1P006CBO [0,2,0,0,0,0|1,0,0]=3 3663 B9R1.69 Clc1ccc(c(c1)N)N 1P0037CO [0,2,0,0,0,0|1,0,0]=3 3664 B9R1.69 Clc1ccc(c(c1)N)O 1P00H7RI [0,2,0,0,0,0|0,0,0]=2 3665 B9R1.69 Clc1ccc(c(c1)N)S 1P0002D5 [0,2,0,0,0,0|0,1,0]=3 3666 B9R1.69 Clc1ccc(c(c1)O)Br 1P0012LE [0,2,0,0,0,0|0,0,0]=2 3667 B9R1.69 Clc1ccc(c(c1)O)C 1P0034PL [0,2,0,0,0,0|0,0,0]=2 3668 B9R1.69 Clc1ccc(c(c1)O)Cl 1P0033GV [0,2,0,0,0,0|0,0,0]=2 3669 B9R1.69 Clc1ccc(c(c1)O)F 1P007SQI [0,2,0,0,0,0|0,0,0]=2 3670 B9R1.69 Clc1ccc(c(c1)O)I 1P0012UR [0,2,0,0,0,0|0,0,0]=2 3671 B9R1.69 Clc1ccc(c(c1)O)N 1P0033KE [0,2,0,0,0,0|0,0,0]=2 3672 B9R1.69 Clc1ccc(c(c1)O)O 1P003LN1 [0,2,0,0,0,0|0,0,0]=2 3673 B9R1.69 Clc1ccc(c(c1)S)Br 1P01BL1B [0,2,0,0,0,0|0,1,0]=3 3674 B9R1.69 Clc1ccc(c(c1)S)C 1P002HHD [0,2,0,0,0,0|0,1,0]=3 3675 B9R1.69 Clc1ccc(c(c1)S)Cl 1P003GDX [0,2,0,0,0,0|0,1,0]=3 3676 B9R1.69 Clc1ccc(c(c1)S)F 1P01BAC6 [0,2,0,0,0,0|0,1,0]=3 3677 B9R1.69 Clc1ccc(c(c1)S)I 1P01EJ8U [0,2,0,0,0,0|0,1,0]=3 3678 B9R1.69 Clc1ccc(c(c1)S)N 1P002NTK [0,2,0,0,0,0|0,1,0]=3 3679 B9R1.69 Clc1ccc(c(n1)Br)Br 1P003BKG [0,2,0,0,0,0|2,0,0]=4 3680 B9R1.69 Clc1ccc(c(n1)Br)C 1P004T0Y [0,2,0,0,0,0|2,0,0]=4 3681 B9R1.69 Clc1ccc(c(n1)Br)Cl 1P00A20P [0,2,0,0,0,0|2,0,0]=4 3682 B9R1.69 Clc1ccc(c(n1)Br)N 1P008RRP [0,2,0,0,0,0|2,0,0]=4 3683 B9R1.69 Clc1ccc(c(n1)Br)O 1P0006UX [0,2,0,0,0,0|1,0,0]=3 3684 B9R1.69 Clc1ccc(c(n1)C)Br 1P0011CN [0,2,0,0,0,0|2,0,0]=4 3685 B9R1.69 Clc1ccc(c(n1)C)C 1P005KP3 [0,2,0,0,0,0|2,0,0]=4 3686 B9R1.69 Clc1ccc(c(n1)C)Cl 1P000KQ1 [0,2,0,0,0,0|2,0,0]=4 3687 B9R1.69 Clc1ccc(c(n1)C)F 1P003HF6 [0,2,0,0,0,0|2,0,0]=4 3688 B9R1.69 Clc1ccc(c(n1)C)I 1P002QDI [0,2,0,0,0,0|2,0,0]=4 3689 B9R1.69 Clc1ccc(c(n1)C)N 1P001VHT [0,2,0,0,0,0|2,0,0]=4 3690 B9R1.69 Clc1ccc(c(n1)C)O 1P00BIJ9 [0,2,0,0,0,0|1,0,0]=3 3691 B9R1.69 Clc1ccc(c(n1)Cl)Br 1P008FQN [0,2,0,0,0,0|2,0,0]=4 3692 B9R1.69 Clc1ccc(c(n1)Cl)C 1P00EC41 [0,2,0,0,0,0|2,0,0]=4 3693 B9R1.69 Clc1ccc(c(n1)Cl)Cl 1P00IBXC [0,2,0,0,0,0|2,0,0]=4 3694 B9R1.69 Clc1ccc(c(n1)Cl)F 1P00I9SY [0,2,0,0,0,0|2,0,0]=4 3695 B9R1.69 Clc1ccc(c(n1)Cl)I 1P001LEY [0,2,0,0,0,0|2,0,0]=4 3696 B9R1.69 Clc1ccc(c(n1)Cl)N 1P00IBHO [0,2,0,0,0,0|2,0,0]=4 3697 B9R1.69 Clc1ccc(c(n1)Cl)O 1P00DGRQ [0,2,0,0,0,0|1,0,0]=3 3698 B9R1.69 Clc1ccc(c(n1)Cl)S 1P028CPK [0,2,0,0,0,0|1,1,0]=4 3699 B9R1.69 Clc1ccc(c(n1)F)Br 1P003JK4 [0,2,0,0,0,0|2,0,0]=4 3700 B9R1.69 Clc1ccc(c(n1)F)Cl 1P00DK0B [0,2,0,0,0,0|2,0,0]=4 3701 B9R1.69 Clc1ccc(c(n1)F)I 1P0090U8 [0,2,0,0,0,0|2,0,0]=4 3702 B9R1.69 Clc1ccc(c(n1)F)N 1P01K28H [0,2,0,0,0,0|2,0,0]=4 3703 B9R1.69 Clc1ccc(c(n1)F)O 1P00GYR1 [0,2,0,0,0,0|1,0,0]=3 3704 B9R1.69 Clc1ccc(c(n1)I)Br 1P0095OI [0,2,0,0,0,0|2,0,0]=4 3705 B9R1.69 Clc1ccc(c(n1)I)F 1P009YQZ [0,2,0,0,0,0|2,0,0]=4 3706 B9R1.69 Clc1ccc(c(n1)I)N 1P0076AG [0,2,0,0,0,0|2,0,0]=4 3707 B9R1.69 Clc1ccc(c(n1)I)O 1P002H4I [0,2,0,0,0,0|1,0,0]=3 3708 B9R1.69 Clc1ccc(c(n1)N)Br 1P003GU1 [0,2,0,0,0,0|2,0,0]=4 3709 B9R1.69 Clc1ccc(c(n1)N)C 1P00E6FO [0,2,0,0,0,0|2,0,0]=4 3710 B9R1.69 Clc1ccc(c(n1)N)C 1P027U9E [0,2,0,0,0,0|2,0,0]=4 3711 B9R1.69 Clc1ccc(c(n1)N)Cl 1P007HQF [0,2,0,0,0,0|2,0,0]=4 3712 B9R1.69 Clc1ccc(c(n1)N)Cl 1P01FJ5Y [0,2,0,0,0,0|2,0,0]=4 3713 B9R1.69 Clc1ccc(c(n1)N)F 1P01A1E3 [0,2,0,0,0,0|2,0,0]=4 3714 B9R1.69 Clc1ccc(c(n1)N)I 1P00370E [0,2,0,0,0,0|2,0,0]=4 3715 B9R1.69 Clc1ccc(c(n1)N)N 1P0074KN [0,2,0,0,0,0|2,0,0]=4 3716 B9R1.69 Clc1ccc(c(n1)N)O 1P00B9QR [0,2,0,0,0,0|1,0,0]=3 3717 B9R1.69 Clc1cnc(c(c1)Br)Br 1P00144Q [0,2,0,0,0,0|2,0,0]=4 3718 B9R1.69 Clc1cnc(c(c1)Br)C 1P000VTY [0,2,0,0,0,0|2,0,0]=4 3719 B9R1.69 Clc1cnc(c(c1)Br)Cl 1P0018AD [0,2,0,0,0,0|2,0,0]=4 3720 B9R1.69 Clc1cnc(c(c1)Br)F 1P004K09 [0,2,0,0,0,0|2,0,0]=4 3721 B9R1.69 Clc1cnc(c(c1)Br)I 1P004ZDI [0,2,0,0,0,0|2,0,0]=4 3722 B9R1.69 Clc1cnc(c(c1)Br)N 1P002SDP [0,2,0,0,0,0|2,0,0]=4 3723 B9R1.69 Clc1cnc(c(c1)C)Br 1P00390W [0,2,0,0,0,0|2,0,0]=4 3724 B9R1.69 Clc1cnc(c(c1)C)Cl 1P00IB2K [0,2,0,0,0,0|2,0,0]=4 3725 B9R1.69 Clc1cnc(c(c1)C)F 1P00I7UY [0,2,0,0,0,0|2,0,0]=4 3726 B9R1.69 Clc1cnc(c(c1)C)N 1P002JC3 [0,2,0,0,0,0|2,0,0]=4 3727 B9R1.69 Clc1cnc(c(c1)C)O 1P00E9D5 [0,2,0,0,0,0|1,0,0]=3 3728 B9R1.69 Clc1cnc(c(c1)Cl)Br 1P001KOT [0,2,0,0,0,0|2,0,0]=4 3729 B9R1.69 Clc1cnc(c(c1)Cl)Cl 1P007W2V [0,2,0,0,0,0|2,0,0]=4 3730 B9R1.69 Clc1cnc(c(c1)Cl)F 1P0054HW [0,2,0,0,0,0|2,0,0]=4 3731 B9R1.69 Clc1cnc(c(c1)Cl)I 1P009Y0B [0,2,0,0,0,0|2,0,0]=4 3732 B9R1.69 Clc1cnc(c(c1)Cl)N 1P003GTS [0,2,0,0,0,0|2,0,0]=4 3733 B9R1.69 Clc1cnc(c(c1)F)Br 1P0033M6 [0,2,0,0,0,0|2,0,0]=4 3734 B9R1.69 Clc1cnc(c(c1)F)Cl 1P008S4S [0,2,0,0,0,0|2,0,0]=4 3735 B9R1.69 Clc1cnc(c(c1)F)F 1P003WA6 [0,2,0,0,0,0|2,0,0]=4 3736 B9R1.69 Clc1cnc(c(c1)F)I 1P00DL45 [0,2,0,0,0,0|2,0,0]=4 3737 B9R1.69 Clc1cnc(c(c1)F)N 1P003GXG [0,2,0,0,0,0|2,0,0]=4 3738 B9R1.69 Clc1cnc(c(c1)I)Br 1P01M8SK [0,2,0,0,0,0|2,0,0]=4 3739 B9R1.69 Clc1cnc(c(c1)I)Cl 1P003BLT [0,2,0,0,0,0|2,0,0]=4 3740 B9R1.69 Clc1cnc(c(c1)I)F 1P004HRY [0,2,0,0,0,0|2,0,0]=4 3741 B9R1.69 Clc1cnc(c(c1)I)N 1P002LQ5 [0,2,0,0,0,0|2,0,0]=4 3742 B9R1.69 Clc1cnc(c(c1)N)Br 1P00390G [0,2,0,0,0,0|2,0,0]=4 3743 B9R1.69 Clc1cnc(c(c1)N)C 1P005OTL [0,2,0,0,0,0|2,0,0]=4 3744 B9R1.69 Clc1cnc(c(c1)N)Cl 1P005L9Z [0,2,0,0,0,0|2,0,0]=4 3745 B9R1.69 Clc1cnc(c(c1)N)F 1P008SBR [0,2,0,0,0,0|2,0,0]=4 3746 B9R1.69 Clc1cnc(c(c1)N)I 1P008YD1 [0,2,0,0,0,0|2,0,0]=4 3747 B9R1.69 Clc1cnc(c(c1)N)N 1P003N5H [0,2,0,0,0,0|2,0,0]=4 3748 B9R1.69 Clc1cnc(c(c1)O)Br 1P000XN0 [0,2,0,0,0,0|1,0,0]=3 3749 B9R1.69 Clc1cnc(c(c1)O)Cl 1P00DGHI [0,2,0,0,0,0|1,0,0]=3 3750 B9R1.69 Clc1cnc(c(c1)O)F 1P000297 [0,2,0,0,0,0|1,0,0]=3 3751 B9R1.69 Clc1cnc(c(c1)O)I 1P002H4L [0,2,0,0,0,0|1,0,0]=3 3752 B9R1.69 Clc1cnc(c(c1)O)N 1P00747H [0,2,0,0,0,0|1,0,0]=3 3753 B9R1.69 Clc1cnc(c(c1)O)O 1P003N5I [0,2,0,0,0,0|1,0,0]=3 3754 B9R1.69 Clc1ncc(c(c1)Br)Br 1P00I0MZ [0,2,0,0,0,0|2,0,0]=4 3755 B9R1.69 Clc1ncc(c(c1)Br)C 1P0036VB [0,2,0,0,0,0|2,0,0]=4 3756 B9R1.69 Clc1ncc(c(c1)Br)Cl 1P008UX8 [0,2,0,0,0,0|2,0,0]=4 3757 B9R1.69 Clc1ncc(c(c1)Br)F 1P004HS0 [0,2,0,0,0,0|2,0,0]=4 3758 B9R1.69 Clc1ncc(c(c1)Br)N 1P020MB7 [0,2,0,0,0,0|2,0,0]=4 3759 B9R1.69 Clc1ncc(c(c1)C)Br 1P0033OO [0,2,0,0,0,0|2,0,0]=4 3760 B9R1.69 Clc1ncc(c(c1)C)C 1P00CA9N [0,2,0,0,0,0|2,0,0]=4 3761 B9R1.69 Clc1ncc(c(c1)C)Cl 1P004AIC [0,2,0,0,0,0|2,0,0]=4 3762 B9R1.69 Clc1ncc(c(c1)C)F 1P008C02 [0,2,0,0,0,0|2,0,0]=4 3763 B9R1.69 Clc1ncc(c(c1)C)I 1P00382Q [0,2,0,0,0,0|2,0,0]=4 3764 B9R1.69 Clc1ncc(c(c1)C)N 1P003JDO [0,2,0,0,0,0|2,0,0]=4 3765 B9R1.69 Clc1ncc(c(c1)C)O 1P000JQI [0,2,0,0,0,0|1,0,0]=3 3766 B9R1.69 Clc1ncc(c(c1)Cl)Br 1P003MX5 [0,2,0,0,0,0|2,0,0]=4 3767 B9R1.69 Clc1ncc(c(c1)Cl)C 1P00E9HW [0,2,0,0,0,0|2,0,0]=4 3768 B9R1.69 Clc1ncc(c(c1)Cl)Cl 1P003G2A [0,2,0,0,0,0|2,0,0]=4 3769 B9R1.69 Clc1ncc(c(c1)Cl)F 1P002IO2 [0,2,0,0,0,0|2,0,0]=4 3770 B9R1.69 Clc1ncc(c(c1)Cl)I 1P0037TO [0,2,0,0,0,0|2,0,0]=4 3771 B9R1.69 Clc1ncc(c(c1)Cl)N 1P003MTQ [0,2,0,0,0,0|2,0,0]=4 3772 B9R1.69 Clc1ncc(c(c1)Cl)O 1P000PTU [0,2,0,0,0,0|1,0,0]=3 3773 B9R1.69 Clc1ncc(c(c1)F)Br 1P009XSM [0,2,0,0,0,0|2,0,0]=4 3774 B9R1.69 Clc1ncc(c(c1)F)C 1P000JRR [0,2,0,0,0,0|2,0,0]=4 3775 B9R1.69 Clc1ncc(c(c1)F)Cl 1P0015BM [0,2,0,0,0,0|2,0,0]=4 3776 B9R1.69 Clc1ncc(c(c1)F)I 1P00137Z [0,2,0,0,0,0|2,0,0]=4 3777 B9R1.69 Clc1ncc(c(c1)F)N 1P00HIV6 [0,2,0,0,0,0|2,0,0]=4 3778 B9R1.69 Clc1ncc(c(c1)F)O 1P01C4EC [0,2,0,0,0,0|1,0,0]=3 3779 B9R1.69 Clc1ncc(c(c1)I)Br 1P00C8QN [0,2,0,0,0,0|2,0,0]=4 3780 B9R1.69 Clc1ncc(c(c1)I)C 1P000Q46 [0,2,0,0,0,0|2,0,0]=4 3781 B9R1.69 Clc1ncc(c(c1)I)Cl 1P005J3Y [0,2,0,0,0,0|2,0,0]=4 3782 B9R1.69 Clc1ncc(c(c1)I)F 1P003HF5 [0,2,0,0,0,0|2,0,0]=4 3783 B9R1.69 Clc1ncc(c(c1)I)N 1P00C174 [0,2,0,0,0,0|2,0,0]=4 3784 B9R1.69 Clc1ncc(c(c1)I)O 1P008E4Z [0,2,0,0,0,0|1,0,0]=3 3785 B9R1.69 Clc1ncc(c(c1)N)Br 1P003L6N [0,2,0,0,0,0|2,0,0]=4 3786 B9R1.69 Clc1ncc(c(c1)N)C 1P005NQE [0,2,0,0,0,0|2,0,0]=4 3787 B9R1.69 Clc1ncc(c(c1)N)C 1P028TCV [0,2,0,0,0,0|2,0,0]=4 3788 B9R1.69 Clc1ncc(c(c1)N)Cl 1P00C7FA [0,2,0,0,0,0|2,0,0]=4 3789 B9R1.69 Clc1ncc(c(c1)N)Cl 1P00I3MN [0,2,0,0,0,0|2,0,0]=4 3790 B9R1.69 Clc1ncc(c(c1)N)F 1P00419E [0,2,0,0,0,0|2,0,0]=4 3791 B9R1.69 Clc1ncc(c(c1)N)I 1P0036Y5 [0,2,0,0,0,0|2,0,0]=4 3792 B9R1.69 Clc1ncc(c(c1)N)N 1P005OUX [0,2,0,0,0,0|2,0,0]=4 3793 B9R1.69 Clc1ncc(c(c1)N)O 1P0018G6 [0,2,0,0,0,0|1,0,0]=3 3794 B9R1.69 Clc1ncc(c(c1)O)Br 1P000PRF [0,2,0,0,0,0|1,0,0]=3 3795 B9R1.69 Clc1ncc(c(c1)O)C 1P009X7Y [0,2,0,0,0,0|1,0,0]=3 3796 B9R1.69 Clc1ncc(c(c1)O)Cl 1P0033GW [0,2,0,0,0,0|1,0,0]=3 3797 B9R1.69 Clc1ncc(c(c1)O)F 1P000PT1 [0,2,0,0,0,0|1,0,0]=3 3798 B9R1.69 Clc1ncc(c(c1)O)I 1P000JGR [0,2,0,0,0,0|1,0,0]=3 3799 B9R1.69 Clc1ncc(c(c1)O)N 1P0018G5 [0,2,0,0,0,0|1,0,0]=3 3800 B9R1.69 Clc1ncc(c(c1)S)Cl 1P028CL4 [0,2,0,0,0,0|1,1,0]=4 3801 B9R1.69 Clc1ncc(c(n1)C)O 1P000MNK [0,2,0,0,0,0|2,0,0]=4 3802 B9R1.69 Clc1ncc(c(n1)Cl)O 1P001BLP [0,2,0,0,0,0|2,0,0]=4 3803 B9R1.69 Clc1ncc(c(n1)N)O 1P01DFNQ [0,2,0,0,0,0|2,0,0]=4 3804 B9R1.69 Clc1ncc(c(n1)O)Br 1P00G9DG [0,2,0,0,0,0|2,0,0]=4 3805 B9R1.69 Clc1nnc(c(c1)O)Cl 1P001L5Z [0,2,0,0,0,0|2,0,0]=4 3806 B9R1.69 Clc1nnc(c(c1)O)Cl 1P002V7G [0,2,0,0,0,0|2,0,0]=4 3807 B9R1.69 Clc1nnc(c(c1)O)N 1P01JJZU [0,2,0,0,0,0|2,0,0]=4 3808 B9R1.69 Cn1ccc(=O)c(c1)Br 1P00IF9T [0,2,0,0,0,0|1,0,1]=4 3809 B9R1.69 Cn1ccc(=O)c(c1)O 1P00DIFA [0,2,0,0,0,0|1,0,0]=3 3810 B9R1.69 Fc1c(Br)ccc(=O)[nH]1 1P000JUU [0,2,0,0,0,0|1,0,1]=4 3811 B9R1.69 Fc1c[nH]c(=O)cc1Br 1P0034EL [0,2,0,0,0,0|1,0,1]=4 3812 B9R1.69 Fc1c[nH]c(=O)cc1I 1P000JSU [0,2,0,0,0,0|1,0,1]=4 3813 B9R1.69 Fc1c[nH]c(=O)cc1O 1P00CMFY [0,2,0,0,0,0|1,0,0]=3 3814 B9R1.69 Fc1cc(Br)c(=O)[nH]c1 1P004F2Y [0,2,0,0,0,0|1,0,1]=4 3815 B9R1.69 Fc1cc(Br)c[nH]c1=O 1P001PFU [0,2,0,0,0,0|1,0,1]=4 3816 B9R1.69 Fc1cc(Cl)c(=O)[nH]c1 1P009GGZ [0,2,0,0,0,0|1,0,1]=4 3817 B9R1.69 Fc1cc(Cl)c[nH]c1=O 1P00DBTN [0,2,0,0,0,0|1,0,1]=4 3818 B9R1.69 Fc1cc(F)c[nH]c1=O 1P003B3E [0,2,0,0,0,0|1,0,1]=4 3819 B9R1.69 Fc1ccc(=O)n(c1)C 1P00I9MH [0,2,0,0,0,0|1,0,1]=4 3820 B9R1.69 Fc1ccc([n+](c1)[O-])Br 1P00H1C0 [0,2,0,0,0,0|1,0,1]=4 3821 B9R1.69 Fc1ccc([n+](c1)[O-])C 1P00DGTQ [0,2,0,0,0,0|1,0,1]=4 3822 B9R1.69 Fc1ccc([n+](c1)[O-])Cl 1P00BZZY [0,2,0,0,0,0|1,0,1]=4 3823 B9R1.69 Fc1ccc(c(c1)Br)Br 1P002OMQ [0,2,0,0,0,0|1,0,0]=3 3824 B9R1.69 Fc1ccc(c(c1)Br)C 1P001IF2 [0,2,0,0,0,0|1,0,0]=3 3825 B9R1.69 Fc1ccc(c(c1)Br)Cl 1P0028CJ [0,2,0,0,0,0|1,0,0]=3 3826 B9R1.69 Fc1ccc(c(c1)Br)F 1P0076UR [0,2,0,0,0,0|1,0,0]=3 3827 B9R1.69 Fc1ccc(c(c1)Br)I 1P0028Z1 [0,2,0,0,0,0|1,0,0]=3 3828 B9R1.69 Fc1ccc(c(c1)Br)N 1P0001ZX [0,2,0,0,0,0|1,0,0]=3 3829 B9R1.69 Fc1ccc(c(c1)Br)O 1P0033M1 [0,2,0,0,0,0|0,0,0]=2 3830 B9R1.69 Fc1ccc(c(c1)Br)S 1P00G501 [0,2,0,0,0,0|0,1,0]=3 3831 B9R1.69 Fc1ccc(c(c1)C)Br 1P0033ME [0,2,0,0,0,0|1,0,0]=3 3832 B9R1.69 Fc1ccc(c(c1)C)C 1P003BGN [0,2,0,0,0,0|1,0,0]=3 3833 B9R1.69 Fc1ccc(c(c1)C)Cl 1P003HFI [0,2,0,0,0,0|1,0,0]=3 3834 B9R1.69 Fc1ccc(c(c1)C)F 1P003GF7 [0,2,0,0,0,0|1,0,0]=3 3835 B9R1.69 Fc1ccc(c(c1)C)I 1P00FAWB [0,2,0,0,0,0|1,0,0]=3 3836 B9R1.69 Fc1ccc(c(c1)C)N 1P0034HP [0,2,0,0,0,0|1,0,0]=3 3837 B9R1.69 Fc1ccc(c(c1)C)N 1P024HNR [0,2,0,0,0,0|1,0,0]=3 3838 B9R1.69 Fc1ccc(c(c1)C)O 1P003LU2 [0,2,0,0,0,0|0,0,0]=2 3839 B9R1.69 Fc1ccc(c(c1)C)S 1P00G4HY [0,2,0,0,0,0|0,1,0]=3 3840 B9R1.69 Fc1ccc(c(c1)Cl)Br 1P003360 [0,2,0,0,0,0|1,0,0]=3 3841 B9R1.69 Fc1ccc(c(c1)Cl)C 1P003HDW [0,2,0,0,0,0|1,0,0]=3 3842 B9R1.69 Fc1ccc(c(c1)Cl)Cl 1P006UZM [0,2,0,0,0,0|1,0,0]=3 3843 B9R1.69 Fc1ccc(c(c1)Cl)F 1P002OJZ [0,2,0,0,0,0|1,0,0]=3 3844 B9R1.69 Fc1ccc(c(c1)Cl)I 1P0004Q2 [0,2,0,0,0,0|1,0,0]=3 3845 B9R1.69 Fc1ccc(c(c1)Cl)N 1P002LD2 [0,2,0,0,0,0|1,0,0]=3 3846 B9R1.69 Fc1ccc(c(c1)Cl)O 1P002COM [0,2,0,0,0,0|0,0,0]=2 3847 B9R1.69 Fc1ccc(c(c1)Cl)S 1P0021AK [0,2,0,0,0,0|0,1,0]=3 3848 B9R1.69 Fc1ccc(c(c1)F)Br 1P003EJK [0,2,0,0,0,0|1,0,0]=3 3849 B9R1.69 Fc1ccc(c(c1)F)C 1P003G9J [0,2,0,0,0,0|1,0,0]=3 3850 B9R1.69 Fc1ccc(c(c1)F)Cl 1P003EO1 [0,2,0,0,0,0|1,0,0]=3 3851 B9R1.69 Fc1ccc(c(c1)F)F 1P003BGE [0,2,0,0,0,0|1,0,0]=3 3852 B9R1.69 Fc1ccc(c(c1)F)I 1P003G9D [0,2,0,0,0,0|1,0,0]=3 3853 B9R1.69 Fc1ccc(c(c1)F)N 1P003G93 [0,2,0,0,0,0|1,0,0]=3 3854 B9R1.69 Fc1ccc(c(c1)F)O 1P003G9G [0,2,0,0,0,0|0,0,0]=2 3855 B9R1.69 Fc1ccc(c(c1)F)S 1P002CPD [0,2,0,0,0,0|0,1,0]=3 3856 B9R1.69 Fc1ccc(c(c1)I)Br 1P0028Z2 [0,2,0,0,0,0|1,0,0]=3 3857 B9R1.69 Fc1ccc(c(c1)I)C 1P0010F5 [0,2,0,0,0,0|1,0,0]=3 3858 B9R1.69 Fc1ccc(c(c1)I)Cl 1P00292D [0,2,0,0,0,0|1,0,0]=3 3859 B9R1.69 Fc1ccc(c(c1)I)F 1P003BLZ [0,2,0,0,0,0|1,0,0]=3 3860 B9R1.69 Fc1ccc(c(c1)I)I 1P00BCIC [0,2,0,0,0,0|1,0,0]=3 3861 B9R1.69 Fc1ccc(c(c1)I)N 1P003LTR [0,2,0,0,0,0|1,0,0]=3 3862 B9R1.69 Fc1ccc(c(c1)I)O 1P00386P [0,2,0,0,0,0|0,0,0]=2 3863 B9R1.69 Fc1ccc(c(c1)N)Br 1P0001ZW [0,2,0,0,0,0|1,0,0]=3 3864 B9R1.69 Fc1ccc(c(c1)N)C 1P003N7P [0,2,0,0,0,0|1,0,0]=3 3865 B9R1.69 Fc1ccc(c(c1)N)Cl 1P003HF7 [0,2,0,0,0,0|1,0,0]=3 3866 B9R1.69 Fc1ccc(c(c1)N)F 1P003GEW [0,2,0,0,0,0|1,0,0]=3 3867 B9R1.69 Fc1ccc(c(c1)N)I 1P00387O [0,2,0,0,0,0|1,0,0]=3 3868 B9R1.69 Fc1ccc(c(c1)N)N 1P0038EE [0,2,0,0,0,0|1,0,0]=3 3869 B9R1.69 Fc1ccc(c(c1)N)O 1P003GVY [0,2,0,0,0,0|0,0,0]=2 3870 B9R1.69 Fc1ccc(c(c1)N)S 1P00811G [0,2,0,0,0,0|0,1,0]=3 3871 B9R1.69 Fc1ccc(c(c1)O)Br 1P0033MC [0,2,0,0,0,0|0,0,0]=2 3872 B9R1.69 Fc1ccc(c(c1)O)C 1P003LTQ [0,2,0,0,0,0|0,0,0]=2 3873 B9R1.69 Fc1ccc(c(c1)O)Cl 1P00I7ZU [0,2,0,0,0,0|0,0,0]=2 3874 B9R1.69 Fc1ccc(c(c1)O)F 1P0033GY [0,2,0,0,0,0|0,0,0]=2 3875 B9R1.69 Fc1ccc(c(c1)O)N 1P003GXQ [0,2,0,0,0,0|0,0,0]=2 3876 B9R1.69 Fc1ccc(c(c1)O)O 1P003LVL [0,2,0,0,0,0|0,0,0]=2 3877 B9R1.69 Fc1ccc(c(c1)S)C 1P00G54K [0,2,0,0,0,0|0,1,0]=3 3878 B9R1.69 Fc1ccc(c(c1)S)F 1P0054EG [0,2,0,0,0,0|0,1,0]=3 3879 B9R1.69 Fc1ccc(c(c1)S)N 1P00C1II [0,2,0,0,0,0|0,1,0]=3 3880 B9R1.69 Fc1ccc(c(n1)Br)C 1P009YRR [0,2,0,0,0,0|2,0,0]=4 3881 B9R1.69 Fc1ccc(c(n1)Br)Cl 1P020M6N [0,2,0,0,0,0|2,0,0]=4 3882 B9R1.69 Fc1ccc(c(n1)Br)F 1P0018WT [0,2,0,0,0,0|2,0,0]=4 3883 B9R1.69 Fc1ccc(c(n1)Br)N 1P00942R [0,2,0,0,0,0|2,0,0]=4 3884 B9R1.69 Fc1ccc(c(n1)Br)O 1P000OWQ [0,2,0,0,0,0|1,0,0]=3 3885 B9R1.69 Fc1ccc(c(n1)C)Br 1P003MXP [0,2,0,0,0,0|2,0,0]=4 3886 B9R1.69 Fc1ccc(c(n1)C)C 1P01DO3Y [0,2,0,0,0,0|2,0,0]=4 3887 B9R1.69 Fc1ccc(c(n1)C)Cl 1P009Y0C [0,2,0,0,0,0|2,0,0]=4 3888 B9R1.69 Fc1ccc(c(n1)C)F 1P0280A1 [0,2,0,0,0,0|2,0,0]=4 3889 B9R1.69 Fc1ccc(c(n1)C)I 1P008D3X [0,2,0,0,0,0|2,0,0]=4 3890 B9R1.69 Fc1ccc(c(n1)C)N 1P002VYJ [0,2,0,0,0,0|2,0,0]=4 3891 B9R1.69 Fc1ccc(c(n1)C)O 1P009FMV [0,2,0,0,0,0|1,0,0]=3 3892 B9R1.69 Fc1ccc(c(n1)Cl)Br 1P01DN4I [0,2,0,0,0,0|2,0,0]=4 3893 B9R1.69 Fc1ccc(c(n1)F)Br 1P0053TE [0,2,0,0,0,0|2,0,0]=4 3894 B9R1.69 Fc1ccc(c(n1)F)C 1P00F2CA [0,2,0,0,0,0|2,0,0]=4 3895 B9R1.69 Fc1ccc(c(n1)F)Cl 1P00DC2A [0,2,0,0,0,0|2,0,0]=4 3896 B9R1.69 Fc1ccc(c(n1)F)F 1P0033E2 [0,2,0,0,0,0|2,0,0]=4 3897 B9R1.69 Fc1ccc(c(n1)F)I 1P005PWD [0,2,0,0,0,0|2,0,0]=4 3898 B9R1.69 Fc1ccc(c(n1)F)N 1P0094G8 [0,2,0,0,0,0|2,0,0]=4 3899 B9R1.69 Fc1ccc(c(n1)F)O 1P002KML [0,2,0,0,0,0|1,0,0]=3 3900 B9R1.69 Fc1ccc(c(n1)F)S 1P02829V [0,2,0,0,0,0|1,1,0]=4 3901 B9R1.69 Fc1ccc(c(n1)I)Br 1P01XA8A [0,2,0,0,0,0|2,0,0]=4 3902 B9R1.69 Fc1ccc(c(n1)I)Cl 1P0292TH [0,2,0,0,0,0|2,0,0]=4 3903 B9R1.69 Fc1ccc(c(n1)I)N 1P01XACZ [0,2,0,0,0,0|2,0,0]=4 3904 B9R1.69 Fc1ccc(c(n1)I)O 1P00381M [0,2,0,0,0,0|1,0,0]=3 3905 B9R1.69 Fc1ccc(c(n1)N)Br 1P000KOJ [0,2,0,0,0,0|2,0,0]=4 3906 B9R1.69 Fc1ccc(c(n1)N)C 1P020MKO [0,2,0,0,0,0|2,0,0]=4 3907 B9R1.69 Fc1ccc(c(n1)N)Cl 1P01B1WF [0,2,0,0,0,0|2,0,0]=4 3908 B9R1.69 Fc1ccc(c(n1)N)F 1P00IIO1 [0,2,0,0,0,0|2,0,0]=4 3909 B9R1.69 Fc1ccc(c(n1)N)I 1P0290YW [0,2,0,0,0,0|2,0,0]=4 3910 B9R1.69 Fc1ccc(c(n1)N)N 1P00EGNA [0,2,0,0,0,0|2,0,0]=4 3911 B9R1.69 Fc1cnc(c(c1)Br)Br 1P0036SN [0,2,0,0,0,0|2,0,0]=4 3912 B9R1.69 Fc1cnc(c(c1)Br)C 1P00A633 [0,2,0,0,0,0|2,0,0]=4 3913 B9R1.69 Fc1cnc(c(c1)Br)Cl 1P00342H [0,2,0,0,0,0|2,0,0]=4 3914 B9R1.69 Fc1cnc(c(c1)Br)F 1P003AS2 [0,2,0,0,0,0|2,0,0]=4 3915 B9R1.69 Fc1cnc(c(c1)Br)I 1P009J97 [0,2,0,0,0,0|2,0,0]=4 3916 B9R1.69 Fc1cnc(c(c1)Br)N 1P008EOJ [0,2,0,0,0,0|2,0,0]=4 3917 B9R1.69 Fc1cnc(c(c1)C)Br 1P00C7KG [0,2,0,0,0,0|2,0,0]=4 3918 B9R1.69 Fc1cnc(c(c1)C)Cl 1P0033OY [0,2,0,0,0,0|2,0,0]=4 3919 B9R1.69 Fc1cnc(c(c1)C)N 1P0036RB [0,2,0,0,0,0|2,0,0]=4 3920 B9R1.69 Fc1cnc(c(c1)Cl)Br 1P00158E [0,2,0,0,0,0|2,0,0]=4 3921 B9R1.69 Fc1cnc(c(c1)Cl)Cl 1P0036MU [0,2,0,0,0,0|2,0,0]=4 3922 B9R1.69 Fc1cnc(c(c1)Cl)F 1P004OLG [0,2,0,0,0,0|2,0,0]=4 3923 B9R1.69 Fc1cnc(c(c1)Cl)N 1P001591 [0,2,0,0,0,0|2,0,0]=4 3924 B9R1.69 Fc1cnc(c(c1)F)Br 1P00FAEA [0,2,0,0,0,0|2,0,0]=4 3925 B9R1.69 Fc1cnc(c(c1)F)Cl 1P003955 [0,2,0,0,0,0|2,0,0]=4 3926 B9R1.69 Fc1cnc(c(c1)F)F 1P003FW2 [0,2,0,0,0,0|2,0,0]=4 3927 B9R1.69 Fc1cnc(c(c1)F)N 1P003BMP [0,2,0,0,0,0|2,0,0]=4 3928 B9R1.69 Fc1cnc(c(c1)I)Br 1P0015EZ [0,2,0,0,0,0|2,0,0]=4 3929 B9R1.69 Fc1cnc(c(c1)I)Cl 1P004HS3 [0,2,0,0,0,0|2,0,0]=4 3930 B9R1.69 Fc1cnc(c(c1)I)N 1P005EXM [0,2,0,0,0,0|2,0,0]=4 3931 B9R1.69 Fc1cnc(c(c1)I)O 1P0091FS [0,2,0,0,0,0|1,0,0]=3 3932 B9R1.69 Fc1cnc(c(c1)N)Br 1P0036S4 [0,2,0,0,0,0|2,0,0]=4 3933 B9R1.69 Fc1cnc(c(c1)N)C 1P01TAO5 [0,2,0,0,0,0|2,0,0]=4 3934 B9R1.69 Fc1cnc(c(c1)N)Cl 1P004K05 [0,2,0,0,0,0|2,0,0]=4 3935 B9R1.69 Fc1cnc(c(c1)N)N 1P0034Q8 [0,2,0,0,0,0|2,0,0]=4 3936 B9R1.69 Fc1cnc(c(c1)N)O 1P00HIWB [0,2,0,0,0,0|1,0,0]=3 3937 B9R1.69 Fc1cnc(c(c1)O)Br 1P008UWM [0,2,0,0,0,0|1,0,0]=3 3938 B9R1.69 Fc1cnc(c(c1)O)Cl 1P0036SI [0,2,0,0,0,0|1,0,0]=3 3939 B9R1.69 Fc1cnc(c(c1)O)F 1P01P7J7 [0,2,0,0,0,0|1,0,0]=3 3940 B9R1.69 Fc1cnc(c(c1)O)I 1P01XGJ0 [0,2,0,0,0,0|1,0,0]=3 3941 B9R1.69 Fc1cnc(c(c1)O)N 1P00028C [0,2,0,0,0,0|1,0,0]=3 3942 B9R1.69 Fc1ncc(c(c1)Br)C 1P000JST [0,2,0,0,0,0|2,0,0]=4 3943 B9R1.69 Fc1ncc(c(c1)Br)Cl 1P01ENN0 [0,2,0,0,0,0|2,0,0]=4 3944 B9R1.69 Fc1ncc(c(c1)Br)F 1P009X7O [0,2,0,0,0,0|2,0,0]=4 3945 B9R1.69 Fc1ncc(c(c1)Br)I 1P01NLXO [0,2,0,0,0,0|2,0,0]=4 3946 B9R1.69 Fc1ncc(c(c1)Br)N 1P01KX76 [0,2,0,0,0,0|2,0,0]=4 3947 B9R1.69 Fc1ncc(c(c1)Br)O 1P000JSK [0,2,0,0,0,0|1,0,0]=3 3948 B9R1.69 Fc1ncc(c(c1)C)Br 1P003MXO [0,2,0,0,0,0|2,0,0]=4 3949 B9R1.69 Fc1ncc(c(c1)C)F 1P021TAC [0,2,0,0,0,0|2,0,0]=4 3950 B9R1.69 Fc1ncc(c(c1)C)I 1P000JBZ [0,2,0,0,0,0|2,0,0]=4 3951 B9R1.69 Fc1ncc(c(c1)C)N 1P003NOD [0,2,0,0,0,0|2,0,0]=4 3952 B9R1.69 Fc1ncc(c(c1)Cl)Br 1P008UXI [0,2,0,0,0,0|2,0,0]=4 3953 B9R1.69 Fc1ncc(c(c1)Cl)Cl 1P0223J0 [0,2,0,0,0,0|2,0,0]=4 3954 B9R1.69 Fc1ncc(c(c1)Cl)F 1P004XRS [0,2,0,0,0,0|2,0,0]=4 3955 B9R1.69 Fc1ncc(c(c1)Cl)I 1P000JBY [0,2,0,0,0,0|2,0,0]=4 3956 B9R1.69 Fc1ncc(c(c1)F)Br 1P01KZ25 [0,2,0,0,0,0|2,0,0]=4 3957 B9R1.69 Fc1ncc(c(c1)F)C 1P028ZDF [0,2,0,0,0,0|2,0,0]=4 3958 B9R1.69 Fc1ncc(c(c1)F)Cl 1P01XCYY [0,2,0,0,0,0|2,0,0]=4 3959 B9R1.69 Fc1ncc(c(c1)F)F 1P008ISN [0,2,0,0,0,0|2,0,0]=4 3960 B9R1.69 Fc1ncc(c(c1)F)I 1P00G3SH [0,2,0,0,0,0|2,0,0]=4 3961 B9R1.69 Fc1ncc(c(c1)F)N 1P001VAP [0,2,0,0,0,0|2,0,0]=4 3962 B9R1.69 Fc1ncc(c(c1)F)O 1P00A1YN [0,2,0,0,0,0|1,0,0]=3 3963 B9R1.69 Fc1ncc(c(c1)I)Br 1P01KYDT [0,2,0,0,0,0|2,0,0]=4 3964 B9R1.69 Fc1ncc(c(c1)I)C 1P003HQ2 [0,2,0,0,0,0|2,0,0]=4 3965 B9R1.69 Fc1ncc(c(c1)I)Cl 1P006M71 [0,2,0,0,0,0|2,0,0]=4 3966 B9R1.69 Fc1ncc(c(c1)I)F 1P000617 [0,2,0,0,0,0|2,0,0]=4 3967 B9R1.69 Fc1ncc(c(c1)I)O 1P00K7SK [0,2,0,0,0,0|1,0,0]=3 3968 B9R1.69 Fc1ncc(c(c1)N)Br 1P01FJ5W [0,2,0,0,0,0|2,0,0]=4 3969 B9R1.69 Fc1ncc(c(c1)N)C 1P001BAX [0,2,0,0,0,0|2,0,0]=4 3970 B9R1.69 Fc1ncc(c(c1)N)Cl 1P01BWH5 [0,2,0,0,0,0|2,0,0]=4 3971 B9R1.69 Fc1ncc(c(c1)N)F 1P002IO0 [0,2,0,0,0,0|2,0,0]=4 3972 B9R1.69 Fc1ncc(c(c1)O)C 1P00HHDX [0,2,0,0,0,0|1,0,0]=3 3973 B9R1.69 Fc1ncc(c(c1)O)Cl 1P024DTD [0,2,0,0,0,0|1,0,0]=3 3974 B9R1.69 Fc1ncc(c(c1)O)F 1P021J16 [0,2,0,0,0,0|1,0,0]=3 3975 B9R1.69 Ic1ccc(=O)n(c1)C 1P003AT0 [0,2,0,0,0,0|1,0,1]=4 3976 B9R1.69 Ic1ccc(c(c1)Br)Br 1P00H0UK [0,2,0,0,0,0|1,0,0]=3 3977 B9R1.69 Ic1ccc(c(c1)Br)C 1P007LDU [0,2,0,0,0,0|1,0,0]=3 3978 B9R1.69 Ic1ccc(c(c1)Br)Cl 1P00C17F [0,2,0,0,0,0|1,0,0]=3 3979 B9R1.69 Ic1ccc(c(c1)Br)F 1P0055SD [0,2,0,0,0,0|1,0,0]=3 3980 B9R1.69 Ic1ccc(c(c1)Br)N 1P002ZEK [0,2,0,0,0,0|1,0,0]=3 3981 B9R1.69 Ic1ccc(c(c1)Br)O 1P009K4Z [0,2,0,0,0,0|0,0,0]=2 3982 B9R1.69 Ic1ccc(c(c1)C)Br 1P0028YR [0,2,0,0,0,0|1,0,0]=3 3983 B9R1.69 Ic1ccc(c(c1)C)C 1P00I6GA [0,2,0,0,0,0|1,0,0]=3 3984 B9R1.69 Ic1ccc(c(c1)C)Cl 1P000DDS [0,2,0,0,0,0|1,0,0]=3 3985 B9R1.69 Ic1ccc(c(c1)C)F 1P003HQY [0,2,0,0,0,0|1,0,0]=3 3986 B9R1.69 Ic1ccc(c(c1)C)I 1P008POI [0,2,0,0,0,0|1,0,0]=3 3987 B9R1.69 Ic1ccc(c(c1)C)N 1P0010F4 [0,2,0,0,0,0|1,0,0]=3 3988 B9R1.69 Ic1ccc(c(c1)C)O 1P0034JG [0,2,0,0,0,0|0,0,0]=2 3989 B9R1.69 Ic1ccc(c(c1)Cl)Br 1P00DC9F [0,2,0,0,0,0|1,0,0]=3 3990 B9R1.69 Ic1ccc(c(c1)Cl)C 1P003BNS [0,2,0,0,0,0|1,0,0]=3 3991 B9R1.69 Ic1ccc(c(c1)Cl)Cl 1P002AND [0,2,0,0,0,0|1,0,0]=3 3992 B9R1.69 Ic1ccc(c(c1)Cl)F 1P001P09 [0,2,0,0,0,0|1,0,0]=3 3993 B9R1.69 Ic1ccc(c(c1)Cl)N 1P003BNR [0,2,0,0,0,0|1,0,0]=3 3994 B9R1.69 Ic1ccc(c(c1)Cl)O 1P000C6B [0,2,0,0,0,0|0,0,0]=2 3995 B9R1.69 Ic1ccc(c(c1)Cl)S 1P01EJ6V [0,2,0,0,0,0|0,1,0]=3 3996 B9R1.69 Ic1ccc(c(c1)F)Br 1P007MYU [0,2,0,0,0,0|1,0,0]=3 3997 B9R1.69 Ic1ccc(c(c1)F)C 1P003HQ3 [0,2,0,0,0,0|1,0,0]=3 3998 B9R1.69 Ic1ccc(c(c1)F)Cl 1P00292E [0,2,0,0,0,0|1,0,0]=3 3999 B9R1.69 Ic1ccc(c(c1)F)F 1P003DV1 [0,2,0,0,0,0|1,0,0]=3 4000 B9R1.69 Ic1ccc(c(c1)F)I 1P001FOK [0,2,0,0,0,0|1,0,0]=3 4001 B9R1.69 Ic1ccc(c(c1)F)N 1P002ZEJ [0,2,0,0,0,0|1,0,0]=3 4002 B9R1.69 Ic1ccc(c(c1)F)O 1P00BFRE [0,2,0,0,0,0|0,0,0]=2 4003 B9R1.69 Ic1ccc(c(c1)I)Br 1P01V8D3 [0,2,0,0,0,0|1,0,0]=3 4004 B9R1.69 Ic1ccc(c(c1)I)Cl 1P01C2TC [0,2,0,0,0,0|1,0,0]=3 4005 B9R1.69 Ic1ccc(c(c1)I)N 1P00DA5Y [0,2,0,0,0,0|1,0,0]=3 4006 B9R1.69 Ic1ccc(c(c1)I)O 1P002DQ0 [0,2,0,0,0,0|0,0,0]=2 4007 B9R1.69 Ic1ccc(c(c1)N)Br 1P008UJ0 [0,2,0,0,0,0|1,0,0]=3 4008 B9R1.69 Ic1ccc(c(c1)N)C 1P003N9Q [0,2,0,0,0,0|1,0,0]=3 4009 B9R1.69 Ic1ccc(c(c1)N)Cl 1P001WXL [0,2,0,0,0,0|1,0,0]=3 4010 B9R1.69 Ic1ccc(c(c1)N)F 1P008B0G [0,2,0,0,0,0|1,0,0]=3 4011 B9R1.69 Ic1ccc(c(c1)N)I 1P00EUWK [0,2,0,0,0,0|1,0,0]=3 4012 B9R1.69 Ic1ccc(c(c1)N)N 1P00I4K3 [0,2,0,0,0,0|1,0,0]=3 4013 B9R1.69 Ic1ccc(c(c1)N)O 1P00IKTO [0,2,0,0,0,0|0,0,0]=2 4014 B9R1.69 Ic1ccc(c(c1)O)Br 1P0033MG [0,2,0,0,0,0|0,0,0]=2 4015 B9R1.69 Ic1ccc(c(c1)O)C 1P00AOOA [0,2,0,0,0,0|0,0,0]=2 4016 B9R1.69 Ic1ccc(c(c1)O)Cl 1P002XGW [0,2,0,0,0,0|0,0,0]=2 4017 B9R1.69 Ic1ccc(c(c1)O)F 1P007623 [0,2,0,0,0,0|0,0,0]=2 4018 B9R1.69 Ic1ccc(c(c1)O)N 1P003W1P [0,2,0,0,0,0|0,0,0]=2 4019 B9R1.69 Ic1ccc(c(c1)O)O 1P00GFO5 [0,2,0,0,0,0|0,0,0]=2 4020 B9R1.69 Ic1ccc(c(c1)S)Br 1P02844X [0,2,0,0,0,0|0,1,0]=3 4021 B9R1.69 Ic1ccc(c(n1)Br)O 1P0036H2 [0,2,0,0,0,0|1,0,0]=3 4022 B9R1.69 Ic1ccc(c(n1)C)Br 1P0003GB [0,2,0,0,0,0|2,0,0]=4 4023 B9R1.69 Ic1ccc(c(n1)C)O 1P008GDW [0,2,0,0,0,0|1,0,0]=3 4024 B9R1.69 Ic1ccc(c(n1)Cl)N 1P00941I [0,2,0,0,0,0|2,0,0]=4 4025 B9R1.69 Ic1ccc(c(n1)Cl)O 1P007S0K [0,2,0,0,0,0|1,0,0]=3 4026 B9R1.69 Ic1ccc(c(n1)F)Br 1P000RH1 [0,2,0,0,0,0|2,0,0]=4 4027 B9R1.69 Ic1ccc(c(n1)F)N 1P001II2 [0,2,0,0,0,0|2,0,0]=4 4028 B9R1.69 Ic1ccc(c(n1)I)N 1P028TKV [0,2,0,0,0,0|2,0,0]=4 4029 B9R1.69 Ic1ccn(c(=O)c1)C 1P00H4QV [0,2,0,0,0,0|1,0,1]=4 4030 B9R1.69 Ic1cnc(c(c1)Br)Br 1P00673D [0,2,0,0,0,0|2,0,0]=4 4031 B9R1.69 Ic1cnc(c(c1)Br)Cl 1P00A6CM [0,2,0,0,0,0|2,0,0]=4 4032 B9R1.69 Ic1cnc(c(c1)Br)F 1P0068I1 [0,2,0,0,0,0|2,0,0]=4 4033 B9R1.69 Ic1cnc(c(c1)Br)N 1P005UTC [0,2,0,0,0,0|2,0,0]=4 4034 B9R1.69 Ic1cnc(c(c1)Br)O 1P00EGLW [0,2,0,0,0,0|1,0,0]=3 4035 B9R1.69 Ic1cnc(c(c1)C)Br 1P006RYD [0,2,0,0,0,0|2,0,0]=4 4036 B9R1.69 Ic1cnc(c(c1)C)C 1P01AV0U [0,2,0,0,0,0|2,0,0]=4 4037 B9R1.69 Ic1cnc(c(c1)C)Cl 1P00EBVH [0,2,0,0,0,0|2,0,0]=4 4038 B9R1.69 Ic1cnc(c(c1)C)F 1P002AES [0,2,0,0,0,0|2,0,0]=4 4039 B9R1.69 Ic1cnc(c(c1)C)N 1P00HZM4 [0,2,0,0,0,0|2,0,0]=4 4040 B9R1.69 Ic1cnc(c(c1)Cl)Cl 1P00H7DR [0,2,0,0,0,0|2,0,0]=4 4041 B9R1.69 Ic1cnc(c(c1)Cl)N 1P00664Z [0,2,0,0,0,0|2,0,0]=4 4042 B9R1.69 Ic1cnc(c(c1)Cl)O 1P00IKGO [0,2,0,0,0,0|1,0,0]=3 4043 B9R1.69 Ic1cnc(c(c1)F)Cl 1P007YRE [0,2,0,0,0,0|2,0,0]=4 4044 B9R1.69 Ic1cnc(c(c1)F)F 1P004NNK [0,2,0,0,0,0|2,0,0]=4 4045 B9R1.69 Ic1cnc(c(c1)F)N 1P0010S8 [0,2,0,0,0,0|2,0,0]=4 4046 B9R1.69 Ic1cnc(c(c1)I)Cl 1P003HBU [0,2,0,0,0,0|2,0,0]=4 4047 B9R1.69 Ic1cnc(c(c1)I)N 1P002OA7 [0,2,0,0,0,0|2,0,0]=4 4048 B9R1.69 Ic1cnc(c(c1)I)O 1P0080BI [0,2,0,0,0,0|1,0,0]=3 4049 B9R1.69 Ic1cnc(c(c1)N)Br 1P008VE7 [0,2,0,0,0,0|2,0,0]=4 4050 B9R1.69 Ic1cnc(c(c1)N)Cl 1P00728W [0,2,0,0,0,0|2,0,0]=4 4051 B9R1.69 Ic1cnc(c(c1)N)O 1P00G9SK [0,2,0,0,0,0|1,0,0]=3 4052 B9R1.69 Ic1cnc(c(n1)Br)O 1P028IRO [0,2,0,0,0,0|2,0,0]=4 4053 B9R1.69 Ic1ncc(c(c1)C)Br 1P005UOR [0,2,0,0,0,0|2,0,0]=4 4054 B9R1.69 Ic1ncc(c(c1)F)Br 1P009XUE [0,2,0,0,0,0|2,0,0]=4 4055 B9R1.69 Nc1cc(Br)c(=O)[nH]c1 1P009WLI [0,2,0,0,0,0|1,0,1]=4 4056 B9R1.69 Nc1cc(Cl)c[nH]c1=O 1P003JCZ [0,2,0,0,0,0|1,0,1]=4 4057 B9R1.69 Nc1cc(F)c[nH]c1=O 1P000SMC [0,2,0,0,0,0|1,0,1]=4 4058 B9R1.69 Nc1ccc(=O)n(c1)C 1P000A2Z [0,2,0,0,0,0|1,0,1]=4 4059 B9R1.69 Nc1ccc(=O)n(c1)C 1P00CJBG [0,2,0,0,0,0|1,0,1]=4 4060 B9R1.69 Nc1ccc(=O)n(c1)C 1P00CPCU [0,2,0,0,0,0|1,0,1]=4 4061 B9R1.69 Nc1ccc(c(c1)Br)Br 1P00EFJ4 [0,2,0,0,0,0|1,0,0]=3 4062 B9R1.69 Nc1ccc(c(c1)Br)C 1P00342X [0,2,0,0,0,0|1,0,0]=3 4063 B9R1.69 Nc1ccc(c(c1)Br)Cl 1P003JI2 [0,2,0,0,0,0|1,0,0]=3 4064 B9R1.69 Nc1ccc(c(c1)Br)F 1P000P2U [0,2,0,0,0,0|1,0,0]=3 4065 B9R1.69 Nc1ccc(c(c1)Br)F 1P003JIC [0,2,0,0,0,0|1,0,0]=3 4066 B9R1.69 Nc1ccc(c(c1)Br)I 1P004M85 [0,2,0,0,0,0|1,0,0]=3 4067 B9R1.69 Nc1ccc(c(c1)Br)N 1P0011WU [0,2,0,0,0,0|1,0,0]=3 4068 B9R1.69 Nc1ccc(c(c1)Br)O 1P001XWA [0,2,0,0,0,0|0,0,0]=2 4069 B9R1.69 Nc1ccc(c(c1)Br)S 1P019ZV5 [0,2,0,0,0,0|0,1,0]=3 4070 B9R1.69 Nc1ccc(c(c1)C)Br 1P00BEV8 [0,2,0,0,0,0|1,0,0]=3 4071 B9R1.69 Nc1ccc(c(c1)C)Br 1P00FAD7 [0,2,0,0,0,0|1,0,0]=3 4072 B9R1.69 Nc1ccc(c(c1)C)C 1P003766 [0,2,0,0,0,0|1,0,0]=3 4073 B9R1.69 Nc1ccc(c(c1)C)C 1P00FQ4P [0,2,0,0,0,0|1,0,0]=3 4074 B9R1.69 Nc1ccc(c(c1)C)Cl 1P002ZWA [0,2,0,0,0,0|1,0,0]=3 4075 B9R1.69 Nc1ccc(c(c1)C)Cl 1P003LLN [0,2,0,0,0,0|1,0,0]=3 4076 B9R1.69 Nc1ccc(c(c1)C)F 1P003HQN [0,2,0,0,0,0|1,0,0]=3 4077 B9R1.69 Nc1ccc(c(c1)C)I 1P00D94P [0,2,0,0,0,0|1,0,0]=3 4078 B9R1.69 Nc1ccc(c(c1)C)N 1P0036PO [0,2,0,0,0,0|1,0,0]=3 4079 B9R1.69 Nc1ccc(c(c1)C)N 1P003GDA [0,2,0,0,0,0|1,0,0]=3 4080 B9R1.69 Nc1ccc(c(c1)C)N 1P00IBCB [0,2,0,0,0,0|1,0,0]=3 4081 B9R1.69 Nc1ccc(c(c1)C)O 1P003L5D [0,2,0,0,0,0|0,0,0]=2 4082 B9R1.69 Nc1ccc(c(c1)Cl)Br 1P007R3I [0,2,0,0,0,0|1,0,0]=3 4083 B9R1.69 Nc1ccc(c(c1)Cl)C 1P003JP7 [0,2,0,0,0,0|1,0,0]=3 4084 B9R1.69 Nc1ccc(c(c1)Cl)C 1P008NB0 [0,2,0,0,0,0|1,0,0]=3 4085 B9R1.69 Nc1ccc(c(c1)Cl)Cl 1P00H81W [0,2,0,0,0,0|1,0,0]=3 4086 B9R1.69 Nc1ccc(c(c1)Cl)F 1P003449 [0,2,0,0,0,0|1,0,0]=3 4087 B9R1.69 Nc1ccc(c(c1)Cl)I 1P007M0L [0,2,0,0,0,0|1,0,0]=3 4088 B9R1.69 Nc1ccc(c(c1)Cl)N 1P003BNF [0,2,0,0,0,0|1,0,0]=3 4089 B9R1.69 Nc1ccc(c(c1)Cl)N 1P00IBCD [0,2,0,0,0,0|1,0,0]=3 4090 B9R1.69 Nc1ccc(c(c1)Cl)O 1P00398D [0,2,0,0,0,0|0,0,0]=2 4091 B9R1.69 Nc1ccc(c(c1)Cl)S 1P019NY5 [0,2,0,0,0,0|0,1,0]=3 4092 B9R1.69 Nc1ccc(c(c1)F)Br 1P003LES [0,2,0,0,0,0|1,0,0]=3 4093 B9R1.69 Nc1ccc(c(c1)F)C 1P003JWX [0,2,0,0,0,0|1,0,0]=3 4094 B9R1.69 Nc1ccc(c(c1)F)Cl 1P003LLA [0,2,0,0,0,0|1,0,0]=3 4095 B9R1.69 Nc1ccc(c(c1)F)F 1P0033Z6 [0,2,0,0,0,0|1,0,0]=3 4096 B9R1.69 Nc1ccc(c(c1)F)F 1P0202B4 [0,2,0,0,0,0|1,0,0]=3 4097 B9R1.69 Nc1ccc(c(c1)F)I 1P00IBYY [0,2,0,0,0,0|1,0,0]=3 4098 B9R1.69 Nc1ccc(c(c1)F)N 1P001FQU [0,2,0,0,0,0|1,0,0]=3 4099 B9R1.69 Nc1ccc(c(c1)F)O 1P0037Z4 [0,2,0,0,0,0|0,0,0]=2 4100 B9R1.69 Nc1ccc(c(c1)F)O 1P009K8D [0,2,0,0,0,0|0,0,0]=2 4101 B9R1.69 Nc1ccc(c(c1)F)S 1P019NY3 [0,2,0,0,0,0|0,1,0]=3 4102 B9R1.69 Nc1ccc(c(c1)I)Br 1P00ED2K [0,2,0,0,0,0|1,0,0]=3 4103 B9R1.69 Nc1ccc(c(c1)I)C 1P0037T7 [0,2,0,0,0,0|1,0,0]=3 4104 B9R1.69 Nc1ccc(c(c1)I)Cl 1P003933 [0,2,0,0,0,0|1,0,0]=3 4105 B9R1.69 Nc1ccc(c(c1)I)F 1P00H8SJ [0,2,0,0,0,0|1,0,0]=3 4106 B9R1.69 Nc1ccc(c(c1)I)N 1P005TI0 [0,2,0,0,0,0|1,0,0]=3 4107 B9R1.69 Nc1ccc(c(c1)I)O 1P003WK1 [0,2,0,0,0,0|0,0,0]=2 4108 B9R1.69 Nc1ccc(c(c1)N)Br 1P00EKEF [0,2,0,0,0,0|1,0,0]=3 4109 B9R1.69 Nc1ccc(c(c1)N)Cl 1P003LN2 [0,2,0,0,0,0|1,0,0]=3 4110 B9R1.69 Nc1ccc(c(c1)N)Cl 1P0054D4 [0,2,0,0,0,0|1,0,0]=3 4111 B9R1.69 Nc1ccc(c(c1)N)F 1P003G61 [0,2,0,0,0,0|1,0,0]=3 4112 B9R1.69 Nc1ccc(c(c1)N)N 1P00IBCC [0,2,0,0,0,0|1,0,0]=3 4113 B9R1.69 Nc1ccc(c(c1)N)O 1P001356 [0,2,0,0,0,0|0,0,0]=2 4114 B9R1.69 Nc1ccc(c(c1)N)O 1P003G62 [0,2,0,0,0,0|0,0,0]=2 4115 B9R1.69 Nc1ccc(c(c1)O)Br 1P00DBZ5 [0,2,0,0,0,0|0,0,0]=2 4116 B9R1.69 Nc1ccc(c(c1)O)C 1P003K0J [0,2,0,0,0,0|0,0,0]=2 4117 B9R1.69 Nc1ccc(c(c1)O)Cl 1P003BNW [0,2,0,0,0,0|0,0,0]=2 4118 B9R1.69 Nc1ccc(c(c1)O)F 1P00027G [0,2,0,0,0,0|0,0,0]=2 4119 B9R1.69 Nc1ccc(c(c1)O)F 1P028ER8 [0,2,0,0,0,0|0,0,0]=2 4120 B9R1.69 Nc1ccc(c(c1)O)O 1P001QUF [0,2,0,0,0,0|0,0,0]=2 4121 B9R1.69 Nc1ccc(c(c1)O)O 1P00DNFX [0,2,0,0,0,0|0,0,0]=2 4122 B9R1.69 Nc1ccc(c(c1)S)C 1P019TVV [0,2,0,0,0,0|0,1,0]=3 4123 B9R1.69 Nc1ccc(c(c1)S)Cl 1P019TVT [0,2,0,0,0,0|0,1,0]=3 4124 B9R1.69 Nc1ccc(c(n1)Br)Br 1P0041GH [0,2,0,0,0,0|2,0,0]=4 4125 B9R1.69 Nc1ccc(c(n1)Br)C 1P00H1FJ [0,2,0,0,0,0|2,0,0]=4 4126 B9R1.69 Nc1ccc(c(n1)Br)Cl 1P0002FC [0,2,0,0,0,0|2,0,0]=4 4127 B9R1.69 Nc1ccc(c(n1)Br)F 1P00A1NN [0,2,0,0,0,0|2,0,0]=4 4128 B9R1.69 Nc1ccc(c(n1)Br)I 1P00I0ME [0,2,0,0,0,0|2,0,0]=4 4129 B9R1.69 Nc1ccc(c(n1)Br)N 1P000RVY [0,2,0,0,0,0|2,0,0]=4 4130 B9R1.69 Nc1ccc(c(n1)C)Br 1P003NJ5 [0,2,0,0,0,0|2,0,0]=4 4131 B9R1.69 Nc1ccc(c(n1)C)C 1P00ED1Z [0,2,0,0,0,0|2,0,0]=4 4132 B9R1.69 Nc1ccc(c(n1)C)Cl 1P003N50 [0,2,0,0,0,0|2,0,0]=4 4133 B9R1.69 Nc1ccc(c(n1)C)F 1P003A3H [0,2,0,0,0,0|2,0,0]=4 4134 B9R1.69 Nc1ccc(c(n1)C)I 1P003NJ8 [0,2,0,0,0,0|2,0,0]=4 4135 B9R1.69 Nc1ccc(c(n1)C)N 1P005TIA [0,2,0,0,0,0|2,0,0]=4 4136 B9R1.69 Nc1ccc(c(n1)C)O 1P01UNYV [0,2,0,0,0,0|1,0,0]=3 4137 B9R1.69 Nc1ccc(c(n1)Cl)Br 1P0033K7 [0,2,0,0,0,0|2,0,0]=4 4138 B9R1.69 Nc1ccc(c(n1)Cl)C 1P00DI4N [0,2,0,0,0,0|2,0,0]=4 4139 B9R1.69 Nc1ccc(c(n1)Cl)Cl 1P000IY8 [0,2,0,0,0,0|2,0,0]=4 4140 B9R1.69 Nc1ccc(c(n1)Cl)F 1P01K9HS [0,2,0,0,0,0|2,0,0]=4 4141 B9R1.69 Nc1ccc(c(n1)Cl)I 1P0017AI [0,2,0,0,0,0|2,0,0]=4 4142 B9R1.69 Nc1ccc(c(n1)F)Br 1P00375J [0,2,0,0,0,0|2,0,0]=4 4143 B9R1.69 Nc1ccc(c(n1)F)Cl 1P009WNQ [0,2,0,0,0,0|2,0,0]=4 4144 B9R1.69 Nc1ccc(c(n1)F)I 1P004D20 [0,2,0,0,0,0|2,0,0]=4 4145 B9R1.69 Nc1ccc(c(n1)I)Br 1P007PK6 [0,2,0,0,0,0|2,0,0]=4 4146 B9R1.69 Nc1ccc(c(n1)N)Br 1P00DDFI [0,2,0,0,0,0|2,0,0]=4 4147 B9R1.69 Nc1ccc(c(n1)N)Cl 1P00DJLA [0,2,0,0,0,0|2,0,0]=4 4148 B9R1.69 Nc1ccc(c(n1)N)I 1P004Q7Y [0,2,0,0,0,0|2,0,0]=4 4149 B9R1.69 Nc1ccc(c(n1)N)N 1P00C2VC [0,2,0,0,0,0|2,0,0]=4 4150 B9R1.69 Nc1ccn(c(=O)c1)C 1P003L4E [0,2,0,0,0,0|1,0,1]=4 4151 B9R1.69 Nc1ccn(c(=O)c1)C 1P009KLB [0,2,0,0,0,0|1,0,1]=4 4152 B9R1.69 Nc1cnc(c(c1)Br)Br 1P00DGU1 [0,2,0,0,0,0|2,0,0]=4 4153 B9R1.69 Nc1cnc(c(c1)Br)C 1P00AQ03 [0,2,0,0,0,0|2,0,0]=4 4154 B9R1.69 Nc1cnc(c(c1)Br)Cl 1P000UOR [0,2,0,0,0,0|2,0,0]=4 4155 B9R1.69 Nc1cnc(c(c1)Br)F 1P002KMJ [0,2,0,0,0,0|2,0,0]=4 4156 B9R1.69 Nc1cnc(c(c1)C)Br 1P00BXUH [0,2,0,0,0,0|2,0,0]=4 4157 B9R1.69 Nc1cnc(c(c1)C)C 1P0037G9 [0,2,0,0,0,0|2,0,0]=4 4158 B9R1.69 Nc1cnc(c(c1)C)Cl 1P003HCJ [0,2,0,0,0,0|2,0,0]=4 4159 B9R1.69 Nc1cnc(c(c1)C)F 1P00AOW6 [0,2,0,0,0,0|2,0,0]=4 4160 B9R1.69 Nc1cnc(c(c1)Cl)Br 1P000UOS [0,2,0,0,0,0|2,0,0]=4 4161 B9R1.69 Nc1cnc(c(c1)Cl)C 1P00H0M7 [0,2,0,0,0,0|2,0,0]=4 4162 B9R1.69 Nc1cnc(c(c1)Cl)Cl 1P006A22 [0,2,0,0,0,0|2,0,0]=4 4163 B9R1.69 Nc1cnc(c(c1)Cl)F 1P01BJOP [0,2,0,0,0,0|2,0,0]=4 4164 B9R1.69 Nc1cnc(c(c1)F)Br 1P00HITD [0,2,0,0,0,0|2,0,0]=4 4165 B9R1.69 Nc1cnc(c(c1)F)C 1P01KLJ1 [0,2,0,0,0,0|2,0,0]=4 4166 B9R1.69 Nc1cnc(c(c1)F)Cl 1P000OUH [0,2,0,0,0,0|2,0,0]=4 4167 B9R1.69 Nc1cnc(c(c1)F)F 1P019ZKR [0,2,0,0,0,0|2,0,0]=4 4168 B9R1.69 Nc1cnc(c(c1)F)O 1P00HVD9 [0,2,0,0,0,0|1,0,0]=3 4169 B9R1.69 Nc1cnc(c(c1)I)Br 1P00FENQ [0,2,0,0,0,0|2,0,0]=4 4170 B9R1.69 Nc1cnc(c(c1)N)Cl 1P00EDCK [0,2,0,0,0,0|2,0,0]=4 4171 B9R1.69 Nc1ncc(c(c1)Br)Br 1P004Q80 [0,2,0,0,0,0|2,0,0]=4 4172 B9R1.69 Nc1ncc(c(c1)Br)C 1P007HFF [0,2,0,0,0,0|2,0,0]=4 4173 B9R1.69 Nc1ncc(c(c1)Br)Cl 1P008YCT [0,2,0,0,0,0|2,0,0]=4 4174 B9R1.69 Nc1ncc(c(c1)Br)F 1P020M9U [0,2,0,0,0,0|2,0,0]=4 4175 B9R1.69 Nc1ncc(c(c1)Br)I 1P0081GV [0,2,0,0,0,0|2,0,0]=4 4176 B9R1.69 Nc1ncc(c(c1)Br)N 1P01C5O8 [0,2,0,0,0,0|2,0,0]=4 4177 B9R1.69 Nc1ncc(c(c1)C)Br 1P003GX7 [0,2,0,0,0,0|2,0,0]=4 4178 B9R1.69 Nc1ncc(c(c1)C)C 1P00EGIV [0,2,0,0,0,0|2,0,0]=4 4179 B9R1.69 Nc1ncc(c(c1)C)Cl 1P00I7RS [0,2,0,0,0,0|2,0,0]=4 4180 B9R1.69 Nc1ncc(c(c1)C)F 1P007JYO [0,2,0,0,0,0|2,0,0]=4 4181 B9R1.69 Nc1ncc(c(c1)C)I 1P003GXS [0,2,0,0,0,0|2,0,0]=4 4182 B9R1.69 Nc1ncc(c(c1)C)O 1P0098HF [0,2,0,0,0,0|1,0,0]=3 4183 B9R1.69 Nc1ncc(c(c1)Cl)Br 1P005ZOQ [0,2,0,0,0,0|2,0,0]=4 4184 B9R1.69 Nc1ncc(c(c1)Cl)C 1P008ZKE [0,2,0,0,0,0|2,0,0]=4 4185 B9R1.69 Nc1ncc(c(c1)Cl)Cl 1P002HH9 [0,2,0,0,0,0|2,0,0]=4 4186 B9R1.69 Nc1ncc(c(c1)Cl)I 1P005RV0 [0,2,0,0,0,0|2,0,0]=4 4187 B9R1.69 Nc1ncc(c(c1)F)Br 1P00IIMV [0,2,0,0,0,0|2,0,0]=4 4188 B9R1.69 Nc1ncc(c(c1)F)C 1P01KLA4 [0,2,0,0,0,0|2,0,0]=4 4189 B9R1.69 Nc1ncc(c(c1)F)Cl 1P01FPE1 [0,2,0,0,0,0|2,0,0]=4 4190 B9R1.69 Nc1ncc(c(c1)F)F 1P009WCW [0,2,0,0,0,0|2,0,0]=4 4191 B9R1.69 Nc1ncc(c(c1)F)I 1P00ATGX [0,2,0,0,0,0|2,0,0]=4 4192 B9R1.69 Nc1ncc(c(c1)F)O 1P01XC8A [0,2,0,0,0,0|1,0,0]=3 4193 B9R1.69 Nc1ncc(c(c1)I)C 1P000JTI [0,2,0,0,0,0|2,0,0]=4 4194 B9R1.69 Nc1ncc(c(c1)I)Cl 1P000RHX [0,2,0,0,0,0|2,0,0]=4 4195 B9R1.69 Nc1ncc(c(c1)I)F 1P001VN1 [0,2,0,0,0,0|2,0,0]=4 4196 B9R1.69 Nc1ncc(c(c1)N)Br 1P000QYJ [0,2,0,0,0,0|2,0,0]=4 4197 B9R1.69 Nc1ncc(c(c1)N)F 1P028CPQ [0,2,0,0,0,0|2,0,0]=4 4198 B9R1.69 Nc1ncc(c(c1)N)N 1P002N4B [0,2,0,0,0,0|2,0,0]=4 4199 B9R1.69 Nc1ncc(c(c1)O)Br 1P01BCNX [0,2,0,0,0,0|1,0,0]=3 4200 B9R1.69 Nc1ncc(c(c1)O)Cl 1P019STN [0,2,0,0,0,0|1,0,0]=3 4201 B9R1.69 Nc1ncc(c(n1)N)O 1P001GF6 [0,2,0,0,0,0|2,0,0]=4 4202 B9R1.69 O=C1C=CC(=O)C(=C1)Br 1P003H2P [0,2,0,0,0,0|0,0,1]=3 4203 B9R1.69 O=C1C=CC(=O)C(=C1)C 1P00IABX [0,2,0,0,0,0|0,0,1]=3 4204 B9R1.69 O=C1C=CC(=O)C(=C1)Cl 1P003HB5 [0,2,0,0,0,0|0,0,1]=3 4205 B9R1.69 O=C1C=CC(=O)C(=C1)I 1P00CZBP [0,2,0,0,0,0|0,0,1]=3 4206 B9R1.69 O=c1cc(C)[nH]cc1O 1P005SX1 [0,2,0,0,0,0|1,0,0]=3 4207 B9R1.69 O=c1occ(c(c1)Cl)Br 1P027X7O [0,2,0,0,0,0|1,0,1]=4 4208 B9R1.69 Oc1ccc(=O)n(c1)C 1P002XRB [0,2,0,0,0,0|1,0,0]=3 4209 B9R1.69 Oc1ccc([n+](c1)C)C 1P01EX1G [0,2,0,0,0,0|1,0,0]=3 4210 B9R1.69 Oc1ccc([n+](c1)[O-])C 1P00BUXN [0,2,0,0,0,0|1,0,0]=3 4211 B9R1.69 Oc1ccc(c(c1)Br)C 1P003JIZ [0,2,0,0,0,0|0,0,0]=2 4212 B9R1.69 Oc1ccc(c(c1)Br)Cl 1P0012LD [0,2,0,0,0,0|0,0,0]=2 4213 B9R1.69 Oc1ccc(c(c1)Br)F 1P00342W [0,2,0,0,0,0|0,0,0]=2 4214 B9R1.69 Oc1ccc(c(c1)Br)I 1P003AVN [0,2,0,0,0,0|0,0,0]=2 4215 B9R1.69 Oc1ccc(c(c1)Br)N 1P0036ZQ [0,2,0,0,0,0|0,0,0]=2 4216 B9R1.69 Oc1ccc(c(c1)Br)O 1P003P18 [0,2,0,0,0,0|0,0,0]=2 4217 B9R1.69 Oc1ccc(c(c1)C)Br 1P001KJY [0,2,0,0,0,0|0,0,0]=2 4218 B9R1.69 Oc1ccc(c(c1)C)C 1P003IZJ [0,2,0,0,0,0|0,0,0]=2 4219 B9R1.69 Oc1ccc(c(c1)C)F 1P003LV0 [0,2,0,0,0,0|0,0,0]=2 4220 B9R1.69 Oc1ccc(c(c1)C)I 1P007N48 [0,2,0,0,0,0|0,0,0]=2 4221 B9R1.69 Oc1ccc(c(c1)C)N 1P003L83 [0,2,0,0,0,0|0,0,0]=2 4222 B9R1.69 Oc1ccc(c(c1)C)O 1P003I66 [0,2,0,0,0,0|0,0,0]=2 4223 B9R1.69 Oc1ccc(c(c1)Cl)Br 1P007N4R [0,2,0,0,0,0|0,0,0]=2 4224 B9R1.69 Oc1ccc(c(c1)Cl)C 1P00344J [0,2,0,0,0,0|0,0,0]=2 4225 B9R1.69 Oc1ccc(c(c1)Cl)Cl 1P003IX0 [0,2,0,0,0,0|0,0,0]=2 4226 B9R1.69 Oc1ccc(c(c1)Cl)F 1P002S9C [0,2,0,0,0,0|0,0,0]=2 4227 B9R1.69 Oc1ccc(c(c1)Cl)I 1P00344G [0,2,0,0,0,0|0,0,0]=2 4228 B9R1.69 Oc1ccc(c(c1)Cl)N 1P0021W8 [0,2,0,0,0,0|0,0,0]=2 4229 B9R1.69 Oc1ccc(c(c1)Cl)N 1P003L61 [0,2,0,0,0,0|0,0,0]=2 4230 B9R1.69 Oc1ccc(c(c1)Cl)O 1P0033PT [0,2,0,0,0,0|0,0,0]=2 4231 B9R1.69 Oc1ccc(c(c1)F)Br 1P0034EG [0,2,0,0,0,0|0,0,0]=2 4232 B9R1.69 Oc1ccc(c(c1)F)C 1P003JX1 [0,2,0,0,0,0|0,0,0]=2 4233 B9R1.69 Oc1ccc(c(c1)F)Cl 1P003LLG [0,2,0,0,0,0|0,0,0]=2 4234 B9R1.69 Oc1ccc(c(c1)F)F 1P003IXT [0,2,0,0,0,0|0,0,0]=2 4235 B9R1.69 Oc1ccc(c(c1)F)I 1P000K9C [0,2,0,0,0,0|0,0,0]=2 4236 B9R1.69 Oc1ccc(c(c1)F)N 1P0024IU [0,2,0,0,0,0|0,0,0]=2 4237 B9R1.69 Oc1ccc(c(c1)F)N 1P0034CY [0,2,0,0,0,0|0,0,0]=2 4238 B9R1.69 Oc1ccc(c(c1)F)O 1P0033SB [0,2,0,0,0,0|0,0,0]=2 4239 B9R1.69 Oc1ccc(c(c1)I)C 1P00EIPO [0,2,0,0,0,0|0,0,0]=2 4240 B9R1.69 Oc1ccc(c(c1)I)Cl 1P002929 [0,2,0,0,0,0|0,0,0]=2 4241 B9R1.69 Oc1ccc(c(c1)I)N 1P00FH5V [0,2,0,0,0,0|0,0,0]=2 4242 B9R1.69 Oc1ccc(c(c1)I)N 1P01BDT2 [0,2,0,0,0,0|0,0,0]=2 4243 B9R1.69 Oc1ccc(c(c1)N)Br 1P000269 [0,2,0,0,0,0|0,0,0]=2 4244 B9R1.69 Oc1ccc(c(c1)N)C 1P00I5SA [0,2,0,0,0,0|0,0,0]=2 4245 B9R1.69 Oc1ccc(c(c1)N)Cl 1P001SA8 [0,2,0,0,0,0|0,0,0]=2 4246 B9R1.69 Oc1ccc(c(c1)N)F 1P003JC8 [0,2,0,0,0,0|0,0,0]=2 4247 B9R1.69 Oc1ccc(c(c1)N)N 1P00EKSG [0,2,0,0,0,0|0,0,0]=2 4248 B9R1.69 Oc1ccc(c(c1)N)N 1P01DE8U [0,2,0,0,0,0|0,0,0]=2 4249 B9R1.69 Oc1ccc(c(c1)N)O 1P01E45U [0,2,0,0,0,0|0,0,0]=2 4250 B9R1.69 Oc1ccc(c(c1)O)Br 1P003LHU [0,2,0,0,0,0|0,0,0]=2 4251 B9R1.69 Oc1ccc(c(c1)O)C 1P00DCZM [0,2,0,0,0,0|0,0,0]=2 4252 B9R1.69 Oc1ccc(c(c1)O)Cl 1P0034H4 [0,2,0,0,0,0|0,0,0]=2 4253 B9R1.69 Oc1ccc(c(c1)O)F 1P0034HK [0,2,0,0,0,0|0,0,0]=2 4254 B9R1.69 Oc1ccc(c(c1)O)N 1P003L7I [0,2,0,0,0,0|0,0,0]=2 4255 B9R1.69 Oc1ccc(c(c1)O)O 1P003DRY [0,2,0,0,0,0|0,0,0]=2 4256 B9R1.69 Oc1ccc(c(c1)S)Cl 1P0284IP [0,2,0,0,0,0|0,0,0]=2 4257 B9R1.69 Oc1ccc(c(c1)S)O 1P002XFY [0,2,0,0,0,0|0,0,0]=2 4258 B9R1.69 Oc1ccc(c(n1)C)Br 1P003JKC [0,2,0,0,0,0|1,0,0]=3 4259 B9R1.69 Oc1ccc(c(n1)C)Cl 1P007X9T [0,2,0,0,0,0|1,0,0]=3 4260 B9R1.69 Oc1ccc(c(n1)Cl)N 1P009YMS [0,2,0,0,0,0|1,0,0]=3 4261 B9R1.69 Oc1ccc(c(n1)F)I 1P008BB9 [0,2,0,0,0,0|1,0,0]=3 4262 B9R1.69 Oc1ccc(c(n1)I)F 1P028YNW [0,2,0,0,0,0|1,0,0]=3 4263 B9R1.69 Oc1ccn(c(=O)c1)C 1P0034II [0,2,0,0,0,0|1,0,0]=3 4264 B9R1.69 Oc1cnc(c(c1)Br)Br 1P00185J [0,2,0,0,0,0|1,0,0]=3 4265 B9R1.69 Oc1cnc(c(c1)Br)C 1P00AQ08 [0,2,0,0,0,0|1,0,0]=3 4266 B9R1.69 Oc1cnc(c(c1)Br)Cl 1P000UI0 [0,2,0,0,0,0|1,0,0]=3 4267 B9R1.69 Oc1cnc(c(c1)Br)F 1P0038O9 [0,2,0,0,0,0|1,0,0]=3 4268 B9R1.69 Oc1cnc(c(c1)C)Br 1P00029B [0,2,0,0,0,0|1,0,0]=3 4269 B9R1.69 Oc1cnc(c(c1)C)C 1P0037FP [0,2,0,0,0,0|1,0,0]=3 4270 B9R1.69 Oc1cnc(c(c1)C)Cl 1P003HFK [0,2,0,0,0,0|1,0,0]=3 4271 B9R1.69 Oc1cnc(c(c1)C)F 1P003HQT [0,2,0,0,0,0|1,0,0]=3 4272 B9R1.69 Oc1cnc(c(c1)C)N 1P00BBO2 [0,2,0,0,0,0|1,0,0]=3 4273 B9R1.69 Oc1cnc(c(c1)Cl)Br 1P000UOQ [0,2,0,0,0,0|1,0,0]=3 4274 B9R1.69 Oc1cnc(c(c1)Cl)C 1P00E2Q0 [0,2,0,0,0,0|1,0,0]=3 4275 B9R1.69 Oc1cnc(c(c1)Cl)Cl 1P007UKH [0,2,0,0,0,0|1,0,0]=3 4276 B9R1.69 Oc1cnc(c(c1)Cl)F 1P002KMM [0,2,0,0,0,0|1,0,0]=3 4277 B9R1.69 Oc1cnc(c(c1)Cl)N 1P002KMN [0,2,0,0,0,0|1,0,0]=3 4278 B9R1.69 Oc1cnc(c(c1)F)Br 1P009XTZ [0,2,0,0,0,0|1,0,0]=3 4279 B9R1.69 Oc1cnc(c(c1)F)Cl 1P0038UF [0,2,0,0,0,0|1,0,0]=3 4280 B9R1.69 Oc1cnc(c(c1)F)N 1P01BSND [0,2,0,0,0,0|1,0,0]=3 4281 B9R1.69 Oc1cnc(c(c1)N)Cl 1P01X83J [0,2,0,0,0,0|1,0,0]=3 4282 B9R1.69 Oc1cnc(c(c1)O)Cl 1P021RQ4 [0,2,0,0,0,0|1,0,0]=3 4283 B9R1.69 Oc1ncc(c(c1)Br)C 1P00IN6W [0,2,0,0,0,0|1,0,0]=3 4284 B9R1.69 Oc1ncc(c(c1)Br)Cl 1P01FV1O [0,2,0,0,0,0|1,0,0]=3 4285 B9R1.69 Oc1ncc(c(c1)C)Br 1P007BY9 [0,2,0,0,0,0|1,0,0]=3 4286 B9R1.69 Oc1ncc(c(c1)C)Cl 1P004AIE [0,2,0,0,0,0|1,0,0]=3 4287 B9R1.69 Oc1ncc(c(c1)C)I 1P00IINR [0,2,0,0,0,0|1,0,0]=3 4288 B9R1.69 Oc1ncc(c(c1)C)N 1P00IIWT [0,2,0,0,0,0|1,0,0]=3 4289 B9R1.69 Oc1ncc(c(c1)F)Br 1P01FRHQ [0,2,0,0,0,0|1,0,0]=3 4290 B9R1.69 Oc1ncc(c(c1)F)N 1P01BS6M [0,2,0,0,0,0|1,0,0]=3 4291 B9R1.69 Oc1ncc(c(c1)I)Cl 1P0099VP [0,2,0,0,0,0|1,0,0]=3 4292 B9R1.69 Oc1ncc(c(c1)O)Cl 1P0039GM [0,2,0,0,0,0|1,0,0]=3 4293 B9R1.69 Oc1ncc(c(n1)C)C 1P00J2RO [0,2,0,0,0,0|2,0,0]=4 4294 B9R1.69 Oc1nnc(c(c1)Br)O 1P01FPB4 [0,2,0,0,0,0|2,0,0]=4 4295 B9R1.69 Oc1nnc(c(c1)C)Cl 1P0039DP [0,2,0,0,0,0|2,0,0]=4 4296 B9R1.69 Oc1nnc(c(c1)C)O 1P003J75 [0,2,0,0,0,0|2,0,0]=4 4297 B9R1.69 Sc1ccc(c(c1)Br)C 1P01B6M7 [0,2,0,0,0,0|0,1,0]=3 4298 B9R1.69 Sc1ccc(c(c1)Br)Cl 1P01B33T [0,2,0,0,0,0|0,1,0]=3 4299 B9R1.69 Sc1ccc(c(c1)Br)F 1P00H2Y8 [0,2,0,0,0,0|0,1,0]=3 4300 B9R1.69 Sc1ccc(c(c1)C)Br 1P00AXJ7 [0,2,0,0,0,0|0,1,0]=3 4301 B9R1.69 Sc1ccc(c(c1)C)C 1P002H3X [0,2,0,0,0,0|0,1,0]=3 4302 B9R1.69 Sc1ccc(c(c1)C)O 1P00I6L4 [0,2,0,0,0,0|0,0,0]=2 4303 B9R1.69 Sc1ccc(c(c1)Cl)Cl 1P003IX7 [0,2,0,0,0,0|0,1,0]=3 4304 B9R1.69 Sc1ccc(c(c1)Cl)F 1P003JOT [0,2,0,0,0,0|0,1,0]=3 4305 B9R1.69 Sc1ccc(c(c1)F)Br 1P00IIGP [0,2,0,0,0,0|0,1,0]=3 4306 B9R1.69 Sc1ccc(c(c1)F)C 1P00EDES [0,2,0,0,0,0|0,1,0]=3 4307 B9R1.69 Sc1ccc(c(c1)F)Cl 1P01C4ZM [0,2,0,0,0,0|0,1,0]=3 4308 B9R1.69 Sc1ccc(c(c1)F)F 1P0033Z8 [0,2,0,0,0,0|0,1,0]=3 4309 B9R1.69 Sc1ccc(c(c1)F)N 1P007EH8 [0,2,0,0,0,0|0,1,0]=3 4310 B9R1.69 Sc1ccc(c(c1)O)Cl 1P0291L2 [0,2,0,0,0,0|0,0,0]=2 4311 B9R1.69 [O-][n+]1ccc(c(c1)C)Br 1P0005NW [0,2,0,0,0,0|1,0,1]=4 4312 B9R1.69 [O-][n+]1ccc(c(c1)C)Cl 1P007F4E [0,2,0,0,0,0|1,0,1]=4 4313 B9R1.69 [O-][n+]1ccc(c(c1)N)F 1P028BT4 [0,2,0,0,0,0|1,0,1]=4 4314 B9R1.69 [O-][n+]1ccc(c(c1)N)N 1P0061A3 [0,2,0,0,0,0|1,0,1]=4 4315 B9R1.3 Brc1c(C)cccc1Br 1P00EH6S [0,2,0,0,0,0|1,0,0]=3 4316 B9R1.3 Brc1c(C)cccc1Cl 1P00ICDG [0,2,0,0,0,0|1,0,0]=3 4317 B9R1.3 Brc1c(C)cccc1F 1P003H3J [0,2,0,0,0,0|1,0,0]=3 4318 B9R1.3 Brc1c(C)cccc1I 1P008BA3 [0,2,0,0,0,0|1,0,0]=3 4319 B9R1.3 Brc1c(C)cccc1N 1P0033LR [0,2,0,0,0,0|1,0,0]=3 4320 B9R1.3 Brc1c(C)cccc1O 1P0033LS [0,2,0,0,0,0|0,0,0]=2 4321 B9R1.3 Brc1c(C)ccnc1Br 1P00GUFL [0,2,0,0,0,0|2,0,0]=4 4322 B9R1.3 Brc1c(C)ccnc1C 1P00386X [0,2,0,0,0,0|2,0,0]=4 4323 B9R1.3 Brc1c(C)cncc1Cl 1P024I4Z [0,2,0,0,0,0|2,0,0]=4 4324 B9R1.3 Brc1c(C)cncc1N 1P0288OY [0,2,0,0,0,0|2,0,0]=4 4325 B9R1.3 Brc1c(C)cncc1O 1P00PRV9 [0,2,0,0,0,0|1,0,0]=3 4326 B9R1.3 Brc1c(C)ncnc1O 1P003N01 [0,2,0,0,0,0|2,0,0]=4 4327 B9R1.3 Brc1c(Cl)cccc1I 1P00132Q [0,2,0,0,0,0|1,0,0]=3 4328 B9R1.3 Brc1c(Cl)ccnc1Cl 1P001K9I [0,2,0,0,0,0|2,0,0]=4 4329 B9R1.3 Brc1c(F)cccc1Cl 1P00329C [0,2,0,0,0,0|1,0,0]=3 4330 B9R1.3 Brc1c(F)cccc1I 1P00G4XM [0,2,0,0,0,0|1,0,0]=3 4331 B9R1.3 Brc1c(F)ccnc1F 1P000JQK [0,2,0,0,0,0|2,0,0]=4 4332 B9R1.3 Brc1c(F)cncc1Br 1P000RWD [0,2,0,0,0,0|2,0,0]=4 4333 B9R1.3 Brc1c(F)cncc1Cl 1P01DN4H [0,2,0,0,0,0|2,0,0]=4 4334 B9R1.3 Brc1c(N)cccc1Cl 1P00374G [0,2,0,0,0,0|1,0,0]=3 4335 B9R1.3 Brc1c(N)cccc1F 1P003H3F [0,2,0,0,0,0|1,0,0]=3 4336 B9R1.3 Brc1c(N)cccc1F 1P009MMR [0,2,0,0,0,0|1,0,0]=3 4337 B9R1.3 Brc1c(N)cccc1I 1P01FHWR [0,2,0,0,0,0|1,0,0]=3 4338 B9R1.3 Brc1c(N)cccc1O 1P00026A [0,2,0,0,0,0|0,0,0]=2 4339 B9R1.3 Brc1c(N)cncc1Br 1P01A4HQ [0,2,0,0,0,0|2,0,0]=4 4340 B9R1.3 Brc1c(N)cncc1Cl 1P01BAA2 [0,2,0,0,0,0|2,0,0]=4 4341 B9R1.3 Brc1c(N)cncc1Cl 1P02850A [0,2,0,0,0,0|2,0,0]=4 4342 B9R1.3 Brc1c(N)cncc1F 1P028SKB [0,2,0,0,0,0|2,0,0]=4 4343 B9R1.3 Brc1c(O)cccc1Cl 1P0038V8 [0,2,0,0,0,0|0,0,0]=2 4344 B9R1.3 Brc1c(O)cccc1F 1P0033LO [0,2,0,0,0,0|0,0,0]=2 4345 B9R1.3 Brc1c(O)cccc1I 1P004OSU [0,2,0,0,0,0|0,0,0]=2 4346 B9R1.3 Brc1c(O)cncc1Cl 1P009MCO [0,2,0,0,0,0|1,0,0]=3 4347 B9R1.3 Brc1c(O)cncc1F 1P028549 [0,2,0,0,0,0|1,0,0]=3 4348 B9R1.3 Brc1c[nH]cc(c1=O)Br 1P00BE77 [0,2,0,0,0,0|1,0,1]=4 4349 B9R1.3 Brc1cc[nH]c(=O)c1C 1P000JSE [0,2,0,0,0,0|1,0,1]=4 4350 B9R1.3 Brc1cccc(c1C)Br 1P00372T [0,2,0,0,0,0|1,0,0]=3 4351 B9R1.3 Brc1cccc(c1Cl)Br 1P002GAB [0,2,0,0,0,0|1,0,0]=3 4352 B9R1.3 Brc1cccc(c1F)Br 1P0038QZ [0,2,0,0,0,0|1,0,0]=3 4353 B9R1.3 Brc1cccc(c1I)Br 1P002BTO [0,2,0,0,0,0|1,0,0]=3 4354 B9R1.3 Brc1cccc(c1N)Br 1P0037VT [0,2,0,0,0,0|1,0,0]=3 4355 B9R1.3 Brc1cccc(c1O)Br 1P003GJ5 [0,2,0,0,0,0|0,0,0]=2 4356 B9R1.3 Brc1ccnc(c1C)Cl 1P000Y6W [0,2,0,0,0,0|2,0,0]=4 4357 B9R1.3 Brc1ccnc(c1C)F 1P000Y6Y [0,2,0,0,0,0|2,0,0]=4 4358 B9R1.3 Brc1ccnc(c1C)N 1P000JT5 [0,2,0,0,0,0|2,0,0]=4 4359 B9R1.3 Brc1ccnc(c1Cl)C 1P01FM2S [0,2,0,0,0,0|2,0,0]=4 4360 B9R1.3 Brc1ccnc(c1Cl)F 1P000616 [0,2,0,0,0,0|2,0,0]=4 4361 B9R1.3 Brc1ccnc(c1Cl)N 1P00H0LY [0,2,0,0,0,0|2,0,0]=4 4362 B9R1.3 Brc1ccnc(c1Cl)O 1P01EMQV [0,2,0,0,0,0|1,0,0]=3 4363 B9R1.3 Brc1ccnc(c1F)C 1P009I34 [0,2,0,0,0,0|2,0,0]=4 4364 B9R1.3 Brc1ccnc(c1F)Cl 1P009MBY [0,2,0,0,0,0|2,0,0]=4 4365 B9R1.3 Brc1ccnc(c1F)N 1P020JJ1 [0,2,0,0,0,0|2,0,0]=4 4366 B9R1.3 Brc1ccnc(c1I)Cl 1P006G2O [0,2,0,0,0,0|2,0,0]=4 4367 B9R1.3 Brc1ccnc(c1I)F 1P006B1G [0,2,0,0,0,0|2,0,0]=4 4368 B9R1.3 Brc1ccnc(c1I)N 1P016OD9 [0,2,0,0,0,0|2,0,0]=4 4369 B9R1.3 Brc1ccnc(c1N)C 1P000T16 [0,2,0,0,0,0|2,0,0]=4 4370 B9R1.3 Brc1ccnc(c1N)Cl 1P00HULP [0,2,0,0,0,0|2,0,0]=4 4371 B9R1.3 Brc1ccnc(c1N)O 1P02930C [0,2,0,0,0,0|1,0,0]=3 4372 B9R1.3 Brc1ccnc(c1O)Cl 1P00HGG2 [0,2,0,0,0,0|1,0,0]=3 4373 B9R1.3 Brc1ccnc(c1O)N 1P000BKZ [0,2,0,0,0,0|1,0,0]=3 4374 B9R1.3 Brc1ccnc(c1O)N 1P000BQF [0,2,0,0,0,0|1,0,0]=3 4375 B9R1.3 Brc1cncc(c1C)Br 1P003J1R [0,2,0,0,0,0|2,0,0]=4 4376 B9R1.3 Brc1cncc(c1Cl)Br 1P009GZO [0,2,0,0,0,0|2,0,0]=4 4377 B9R1.3 Brc1cncc(c1I)Br 1P00A160 [0,2,0,0,0,0|2,0,0]=4 4378 B9R1.3 Brc1cncc(c1N)Br 1P003L5K [0,2,0,0,0,0|2,0,0]=4 4379 B9R1.3 Brc1cncc(c1O)Br 1P003J1P [0,2,0,0,0,0|1,0,0]=3 4380 B9R1.3 Brc1cncc(c1[O-])Br 1P001GSP [0,2,0,0,0,0|1,0,1]=4 4381 B9R1.3 Cc1c(=O)cc[nH]c1C 1P01BBX5 [0,2,0,0,0,0|1,0,1]=4 4382 B9R1.3 Cc1c(Br)cccc1I 1P0038ZO [0,2,0,0,0,0|1,0,0]=3 4383 B9R1.3 Cc1c(Br)ccnc1Br 1P000Y6U [0,2,0,0,0,0|2,0,0]=4 4384 B9R1.3 Cc1c(Br)ccnc1C 1P002RRG [0,2,0,0,0,0|2,0,0]=4 4385 B9R1.3 Cc1c(Br)ccnc1C 1P01EI7S [0,2,0,0,0,0|2,0,0]=4 4386 B9R1.3 Cc1c(Br)cncc1I 1P018BQ3 [0,2,0,0,0,0|2,0,0]=4 4387 B9R1.3 Cc1c(C)cc[nH]c1=N 1P003GTM [0,2,0,0,0,0|2,0,0]=4 4388 B9R1.3 Cc1c(C)cc[nH]c1=O 1P00CJAV [0,2,0,0,0,0|1,0,1]=4 4389 B9R1.3 Cc1c(C)cccc1Br 1P0033EW [0,2,0,0,0,0|1,0,0]=3 4390 B9R1.3 Cc1c(C)cccc1C 1P003DRG [0,2,0,0,0,0|1,0,0]=3 4391 B9R1.3 Cc1c(C)cccc1Cl 1P003JMR [0,2,0,0,0,0|1,0,0]=3 4392 B9R1.3 Cc1c(C)cccc1Cl 1P028GZ4 [0,2,0,0,0,0|1,0,0]=3 4393 B9R1.3 Cc1c(C)cccc1F 1P003JY3 [0,2,0,0,0,0|1,0,0]=3 4394 B9R1.3 Cc1c(C)cccc1I 1P003EW5 [0,2,0,0,0,0|1,0,0]=3 4395 B9R1.3 Cc1c(C)cccc1N 1P0033EU [0,2,0,0,0,0|1,0,0]=3 4396 B9R1.3 Cc1c(C)cccc1N 1P003G0V [0,2,0,0,0,0|1,0,0]=3 4397 B9R1.3 Cc1c(C)cccc1O 1P000UCK [0,2,0,0,0,0|0,0,0]=2 4398 B9R1.3 Cc1c(C)cccc1S 1P002H3Y [0,2,0,0,0,0|0,1,0]=3 4399 B9R1.3 Cc1c(C)ccnc1Br 1P00CJBW [0,2,0,0,0,0|2,0,0]=4 4400 B9R1.3 Cc1c(C)ccnc1Cl 1P00FFVC [0,2,0,0,0,0|2,0,0]=4 4401 B9R1.3 Cc1c(C)cncc1Br 1P007MH8 [0,2,0,0,0,0|2,0,0]=4 4402 B9R1.3 Cc1c(C)cncc1C 1P002AT3 [0,2,0,0,0,0|2,0,0]=4 4403 B9R1.3 Cc1c(C)cncc1N 1P01BK1Z [0,2,0,0,0,0|2,0,0]=4 4404 B9R1.3 Cc1c(C)cncc1N 1P028A7P [0,2,0,0,0,0|2,0,0]=4 4405 B9R1.3 Cc1c(C)ncnc1O 1P00C5RZ [0,2,0,0,0,0|2,0,0]=4 4406 B9R1.3 Cc1c(Cl)cccc1Br 1P00E9KV [0,2,0,0,0,0|1,0,0]=3 4407 B9R1.3 Cc1c(Cl)cccc1I 1P003BO3 [0,2,0,0,0,0|1,0,0]=3 4408 B9R1.3 Cc1c(Cl)ccnc1C 1P00D4T4 [0,2,0,0,0,0|2,0,0]=4 4409 B9R1.3 Cc1c(Cl)ccnc1Cl 1P0010NB [0,2,0,0,0,0|2,0,0]=4 4410 B9R1.3 Cc1c(Cl)cncc1Br 1P000R5X [0,2,0,0,0,0|2,0,0]=4 4411 B9R1.3 Cc1c(Cl)cncc1I 1P01B24N [0,2,0,0,0,0|2,0,0]=4 4412 B9R1.3 Cc1c(F)cccc1Br 1P001IF1 [0,2,0,0,0,0|1,0,0]=3 4413 B9R1.3 Cc1c(F)cccc1Cl 1P0033PG [0,2,0,0,0,0|1,0,0]=3 4414 B9R1.3 Cc1c(F)cccc1I 1P003HRN [0,2,0,0,0,0|1,0,0]=3 4415 B9R1.3 Cc1c(F)cccc1S 1P01FFLY [0,2,0,0,0,0|0,1,0]=3 4416 B9R1.3 Cc1c(F)ccnc1F 1P01K02Y [0,2,0,0,0,0|2,0,0]=4 4417 B9R1.3 Cc1c(F)cncc1Br 1P003JJI [0,2,0,0,0,0|2,0,0]=4 4418 B9R1.3 Cc1c(N)cccc1Br 1P00342M [0,2,0,0,0,0|1,0,0]=3 4419 B9R1.3 Cc1c(N)cccc1Cl 1P003451 [0,2,0,0,0,0|1,0,0]=3 4420 B9R1.3 Cc1c(N)cccc1Cl 1P003GYZ [0,2,0,0,0,0|1,0,0]=3 4421 B9R1.3 Cc1c(N)cccc1F 1P003JVW [0,2,0,0,0,0|1,0,0]=3 4422 B9R1.3 Cc1c(N)cccc1F 1P00EW8F [0,2,0,0,0,0|1,0,0]=3 4423 B9R1.3 Cc1c(N)cccc1I 1P007CZJ [0,2,0,0,0,0|1,0,0]=3 4424 B9R1.3 Cc1c(N)cccc1O 1P003JB8 [0,2,0,0,0,0|0,0,0]=2 4425 B9R1.3 Cc1c(N)ccnc1C 1P0017RO [0,2,0,0,0,0|2,0,0]=4 4426 B9R1.3 Cc1c(N)cncc1Br 1P008H4R [0,2,0,0,0,0|2,0,0]=4 4427 B9R1.3 Cc1c(N)cncc1Cl 1P01A21N [0,2,0,0,0,0|2,0,0]=4 4428 B9R1.3 Cc1c(O)cccc1Br 1P003AAL [0,2,0,0,0,0|0,0,0]=2 4429 B9R1.3 Cc1c(O)cccc1Cl 1P00BY9G [0,2,0,0,0,0|0,0,0]=2 4430 B9R1.3 Cc1c(O)cccc1F 1P003JVZ [0,2,0,0,0,0|0,0,0]=2 4431 B9R1.3 Cc1c(O)ccnc1C 1P01ENHN [0,2,0,0,0,0|1,0,0]=3 4432 B9R1.3 Cc1c(O)cncc1Br 1P00CRDD [0,2,0,0,0,0|1,0,0]=3 4433 B9R1.3 Cc1c(S)cccc1Cl 1P01BL0W [0,2,0,0,0,0|0,1,0]=3 4434 B9R1.3 Cc1c[nH]cc(c1=O)Br 1P01E82R [0,2,0,0,0,0|1,0,1]=4 4435 B9R1.3 Cc1c[nH]cc(c1=O)Br 1P028XFZ [0,2,0,0,0,0|1,0,1]=4 4436 B9R1.3 Cc1cc[nH]c(=O)c1Br 1P00342K [0,2,0,0,0,0|1,0,1]=4 4437 B9R1.3 Cc1cccc(c1Br)C 1P0033NA [0,2,0,0,0,0|1,0,0]=3 4438 B9R1.3 Cc1cccc(c1Cl)C 1P0033NW [0,2,0,0,0,0|1,0,0]=3 4439 B9R1.3 Cc1cccc(c1F)C 1P003GMC [0,2,0,0,0,0|1,0,0]=3 4440 B9R1.3 Cc1cccc(c1I)C 1P0033TQ [0,2,0,0,0,0|1,0,0]=3 4441 B9R1.3 Cc1cccc(c1N)C 1P0033II [0,2,0,0,0,0|1,0,0]=3 4442 B9R1.3 Cc1cccc(c1N)C 1P008EWO [0,2,0,0,0,0|1,0,0]=3 4443 B9R1.3 Cc1cccc(c1O)C 1P003GME [0,2,0,0,0,0|0,0,0]=2 4444 B9R1.3 Cc1cccc(c1S)C 1P003GM7 [0,2,0,0,0,0|0,1,0]=3 4445 B9R1.3 Cc1ccnc(c1Br)Cl 1P003A46 [0,2,0,0,0,0|2,0,0]=4 4446 B9R1.3 Cc1ccnc(c1Br)F 1P008D3U [0,2,0,0,0,0|2,0,0]=4 4447 B9R1.3 Cc1ccnc(c1Br)I 1P027UI5 [0,2,0,0,0,0|2,0,0]=4 4448 B9R1.3 Cc1ccnc(c1Br)N 1P003GTY [0,2,0,0,0,0|2,0,0]=4 4449 B9R1.3 Cc1ccnc(c1Cl)Br 1P00H1MC [0,2,0,0,0,0|2,0,0]=4 4450 B9R1.3 Cc1ccnc(c1Cl)N 1P00EDC0 [0,2,0,0,0,0|2,0,0]=4 4451 B9R1.3 Cc1ccnc(c1F)Br 1P00GS0H [0,2,0,0,0,0|2,0,0]=4 4452 B9R1.3 Cc1ccnc(c1F)Cl 1P003HC1 [0,2,0,0,0,0|2,0,0]=4 4453 B9R1.3 Cc1ccnc(c1F)I 1P027E61 [0,2,0,0,0,0|2,0,0]=4 4454 B9R1.3 Cc1ccnc(c1F)N 1P008UW8 [0,2,0,0,0,0|2,0,0]=4 4455 B9R1.3 Cc1ccnc(c1F)N 1P027U0P [0,2,0,0,0,0|2,0,0]=4 4456 B9R1.3 Cc1ccnc(c1I)Br 1P004K0E [0,2,0,0,0,0|2,0,0]=4 4457 B9R1.3 Cc1ccnc(c1I)Cl 1P00H1GY [0,2,0,0,0,0|2,0,0]=4 4458 B9R1.3 Cc1ccnc(c1I)N 1P000JQD [0,2,0,0,0,0|2,0,0]=4 4459 B9R1.3 Cc1ccnc(c1N)Br 1P000T15 [0,2,0,0,0,0|2,0,0]=4 4460 B9R1.3 Cc1ccnc(c1N)Cl 1P003JB3 [0,2,0,0,0,0|2,0,0]=4 4461 B9R1.3 Cc1ccnc(c1N)F 1P001ZDB [0,2,0,0,0,0|2,0,0]=4 4462 B9R1.3 Cc1ccnc(c1N)O 1P00C7KX [0,2,0,0,0,0|1,0,0]=3 4463 B9R1.3 Cc1ccnc(c1O)Br 1P000JSH [0,2,0,0,0,0|1,0,0]=3 4464 B9R1.3 Cc1ccnc(c1O)Cl 1P008D46 [0,2,0,0,0,0|1,0,0]=3 4465 B9R1.3 Cc1ccnc(c1O)N 1P0029DG [0,2,0,0,0,0|1,0,0]=3 4466 B9R1.3 Cc1cncc(c1Br)C 1P002DRJ [0,2,0,0,0,0|2,0,0]=4 4467 B9R1.3 Cc1cncc(c1Br)C 1P00J0PM [0,2,0,0,0,0|2,0,0]=4 4468 B9R1.3 Cc1cncc(c1Cl)C 1P00ACLY [0,2,0,0,0,0|2,0,0]=4 4469 B9R1.3 Cc1cncc(c1Cl)C 1P00ADTB [0,2,0,0,0,0|2,0,0]=4 4470 B9R1.3 Cc1cncc(c1N)C 1P003A9B [0,2,0,0,0,0|2,0,0]=4 4471 B9R1.3 Cc1ncnc(c1O)C 1P005W5O [0,2,0,0,0,0|2,0,0]=4 4472 B9R1.3 Clc1[n+]([O-])cccc1Cl 1P00DGTV [0,2,0,0,0,0|1,0,1]=4 4473 B9R1.3 Clc1c(Br)cccc1I 1P01AVD8 [0,2,0,0,0,0|1,0,0]=3 4474 B9R1.3 Clc1c(Br)ccnc1Br 1P00GV2F [0,2,0,0,0,0|2,0,0]=4 4475 B9R1.3 Clc1c(Br)ccnc1Cl 1P0006YL [0,2,0,0,0,0|2,0,0]=4 4476 B9R1.3 Clc1c(C)cccc1Br 1P00IKE7 [0,2,0,0,0,0|1,0,0]=3 4477 B9R1.3 Clc1c(C)cccc1Cl 1P003FYN [0,2,0,0,0,0|1,0,0]=3 4478 B9R1.3 Clc1c(C)cccc1F 1P000DQG [0,2,0,0,0,0|1,0,0]=3 4479 B9R1.3 Clc1c(C)cccc1I 1P000DDT [0,2,0,0,0,0|1,0,0]=3 4480 B9R1.3 Clc1c(C)cccc1N 1P002VP6 [0,2,0,0,0,0|1,0,0]=3 4481 B9R1.3 Clc1c(C)cccc1S 1P006AME [0,2,0,0,0,0|0,1,0]=3 4482 B9R1.3 Clc1c(C)ccnc1Cl 1P002FP1 [0,2,0,0,0,0|2,0,0]=4 4483 B9R1.3 Clc1c(C)cncc1Br 1P01BAAV [0,2,0,0,0,0|2,0,0]=4 4484 B9R1.3 Clc1c(C)cncc1Br 1P01BADI [0,2,0,0,0,0|2,0,0]=4 4485 B9R1.3 Clc1c(C)cncc1Cl 1P01K26B [0,2,0,0,0,0|2,0,0]=4 4486 B9R1.3 Clc1c(Cl)cccc1Br 1P003FY8 [0,2,0,0,0,0|1,0,0]=3 4487 B9R1.3 Clc1c(Cl)cccc1I 1P003DUM [0,2,0,0,0,0|1,0,0]=3 4488 B9R1.3 Clc1c(Cl)ccnc1Br 1P00I0MF [0,2,0,0,0,0|2,0,0]=4 4489 B9R1.3 Clc1c(Cl)ccnc1C 1P008UGI [0,2,0,0,0,0|2,0,0]=4 4490 B9R1.3 Clc1c(Cl)ccnc1Cl 1P002XYQ [0,2,0,0,0,0|2,0,0]=4 4491 B9R1.3 Clc1c(Cl)ccnc1F 1P004OLD [0,2,0,0,0,0|2,0,0]=4 4492 B9R1.3 Clc1c(Cl)ccnc1N 1P002HH8 [0,2,0,0,0,0|2,0,0]=4 4493 B9R1.3 Clc1c(Cl)cncc1Br 1P0001F2 [0,2,0,0,0,0|2,0,0]=4 4494 B9R1.3 Clc1c(Cl)cncc1Cl 1P003IV2 [0,2,0,0,0,0|2,0,0]=4 4495 B9R1.3 Clc1c(F)cccc1Br 1P0045VF [0,2,0,0,0,0|1,0,0]=3 4496 B9R1.3 Clc1c(F)cccc1I 1P01EW3K [0,2,0,0,0,0|1,0,0]=3 4497 B9R1.3 Clc1c(F)ccnc1F 1P004OLF [0,2,0,0,0,0|2,0,0]=4 4498 B9R1.3 Clc1c(F)cncc1Br 1P00A1O9 [0,2,0,0,0,0|2,0,0]=4 4499 B9R1.3 Clc1c(F)cncc1Cl 1P004OLE [0,2,0,0,0,0|2,0,0]=4 4500 B9R1.3 Clc1c(I)ccnc1Cl 1P0089H7 [0,2,0,0,0,0|2,0,0]=4 4501 B9R1.3 Clc1c(N)cccc1Br 1P00DIG5 [0,2,0,0,0,0|1,0,0]=3 4502 B9R1.3 Clc1c(N)cccc1Cl 1P003FY1 [0,2,0,0,0,0|1,0,0]=3 4503 B9R1.3 Clc1c(N)cccc1F 1P007R3O [0,2,0,0,0,0|1,0,0]=3 4504 B9R1.3 Clc1c(N)cccc1O 1P00341F [0,2,0,0,0,0|0,0,0]=2 4505 B9R1.3 Clc1c(N)ccnc1Cl 1P00AKZ0 [0,2,0,0,0,0|2,0,0]=4 4506 B9R1.3 Clc1c(N)ccnc1Cl 1P02814E [0,2,0,0,0,0|2,0,0]=4 4507 B9R1.3 Clc1c(N)cncc1Br 1P0041GI [0,2,0,0,0,0|2,0,0]=4 4508 B9R1.3 Clc1c(N)cncc1Br 1P028B8J [0,2,0,0,0,0|2,0,0]=4 4509 B9R1.3 Clc1c(N)cncc1Cl 1P003KYC [0,2,0,0,0,0|2,0,0]=4 4510 B9R1.3 Clc1c(N)cncc1F 1P01ELIN [0,2,0,0,0,0|2,0,0]=4 4511 B9R1.3 Clc1c(O)cccc1Br 1P004OSV [0,2,0,0,0,0|0,0,0]=2 4512 B9R1.3 Clc1c(O)cccc1F 1P0036UU [0,2,0,0,0,0|0,0,0]=2 4513 B9R1.3 Clc1c(O)cccc1I 1P0037CR [0,2,0,0,0,0|0,0,0]=2 4514 B9R1.3 Clc1c(O)ccnc1Cl 1P000EPM [0,2,0,0,0,0|1,0,0]=3 4515 B9R1.3 Clc1c(O)cnnc1Cl 1P00DLV5 [0,2,0,0,0,0|2,0,0]=4 4516 B9R1.3 Clc1c(O)ncnc1Cl 1P003MQD [0,2,0,0,0,0|2,0,0]=4 4517 B9R1.3 Clc1c(S)cccc1Cl 1P003FYM [0,2,0,0,0,0|0,1,0]=3 4518 B9R1.3 Clc1c(S)ccnc1Cl 1P01DZFM [0,2,0,0,0,0|1,1,0]=4 4519 B9R1.3 Clc1c[nH]cc(c1=O)Br 1P01KLH7 [0,2,0,0,0,0|1,0,1]=4 4520 B9R1.3 Clc1cccc(c1Br)Cl 1P003EJN [0,2,0,0,0,0|1,0,0]=3 4521 B9R1.3 Clc1cccc(c1C)Cl 1P00HETG [0,2,0,0,0,0|1,0,0]=3 4522 B9R1.3 Clc1cccc(c1F)Cl 1P003DZW [0,2,0,0,0,0|1,0,0]=3 4523 B9R1.3 Clc1cccc(c1I)Cl 1P002GAA [0,2,0,0,0,0|1,0,0]=3 4524 B9R1.3 Clc1cccc(c1N)Cl 1P0037GN [0,2,0,0,0,0|1,0,0]=3 4525 B9R1.3 Clc1cccc(c1O)Cl 1P004LD0 [0,2,0,0,0,0|0,0,0]=2 4526 B9R1.3 Clc1cccc(c1S)Cl 1P002QHD [0,2,0,0,0,0|0,1,0]=3 4527 B9R1.3 Clc1ccnc(c1Br)C 1P01BJR8 [0,2,0,0,0,0|2,0,0]=4 4528 B9R1.3 Clc1ccnc(c1Br)F 1P01FSNU [0,2,0,0,0,0|2,0,0]=4 4529 B9R1.3 Clc1ccnc(c1Br)N 1P00C4Q1 [0,2,0,0,0,0|2,0,0]=4 4530 B9R1.3 Clc1ccnc(c1Br)O 1P01LV6X [0,2,0,0,0,0|1,0,0]=3 4531 B9R1.3 Clc1ccnc(c1C)Br 1P00ILFZ [0,2,0,0,0,0|2,0,0]=4 4532 B9R1.3 Clc1ccnc(c1C)N 1P000JTR [0,2,0,0,0,0|2,0,0]=4 4533 B9R1.3 Clc1ccnc(c1F)Br 1P000GNO [0,2,0,0,0,0|2,0,0]=4 4534 B9R1.3 Clc1ccnc(c1F)C 1P000JE6 [0,2,0,0,0,0|2,0,0]=4 4535 B9R1.3 Clc1ccnc(c1F)N 1P00QC4I [0,2,0,0,0,0|2,0,0]=4 4536 B9R1.3 Clc1ccnc(c1I)C 1P01ALOD [0,2,0,0,0,0|2,0,0]=4 4537 B9R1.3 Clc1ccnc(c1I)F 1P025GD4 [0,2,0,0,0,0|2,0,0]=4 4538 B9R1.3 Clc1ccnc(c1I)N 1P0075TT [0,2,0,0,0,0|2,0,0]=4 4539 B9R1.3 Clc1ccnc(c1N)Br 1P00CMH3 [0,2,0,0,0,0|2,0,0]=4 4540 B9R1.3 Clc1ccnc(c1N)C 1P0096BN [0,2,0,0,0,0|2,0,0]=4 4541 B9R1.3 Clc1ccnc(c1O)Br 1P009JP0 [0,2,0,0,0,0|1,0,0]=3 4542 B9R1.3 Clc1ccnc(c1O)I 1P00I2D4 [0,2,0,0,0,0|1,0,0]=3 4543 B9R1.3 Clc1ccnc(c1O)N 1P00028D [0,2,0,0,0,0|1,0,0]=3 4544 B9R1.3 Clc1ccnc(c1O)N 1P01B714 [0,2,0,0,0,0|1,0,0]=3 4545 B9R1.3 Clc1cncc(c1Br)Cl 1P007GEI [0,2,0,0,0,0|2,0,0]=4 4546 B9R1.3 Clc1cncc(c1C)Cl 1P0003IC [0,2,0,0,0,0|2,0,0]=4 4547 B9R1.3 Clc1cncc(c1F)Cl 1P006RQD [0,2,0,0,0,0|2,0,0]=4 4548 B9R1.3 Clc1cncc(c1I)Cl 1P0033ZW [0,2,0,0,0,0|2,0,0]=4 4549 B9R1.3 Clc1cncc(c1N)Cl 1P002LTR [0,2,0,0,0,0|2,0,0]=4 4550 B9R1.3 Clc1cncc(c1O)Cl 1P00AQ55 [0,2,0,0,0,0|1,0,0]=3 4551 B9R1.3 Clc1ncnc(c1O)Cl 1P00CJBJ [0,2,0,0,0,0|2,0,0]=4 4552 B9R1.3 Cn1c(Br)cccc1=O 1P00H0NQ [0,2,0,0,0,0|1,0,1]=4 4553 B9R1.3 Cn1c(Cl)cccc1=O 1P007DNI [0,2,0,0,0,0|1,0,1]=4 4554 B9R1.3 Cn1c(N)cccc1=O 1P028SZO [0,2,0,0,0,0|1,0,1]=4 4555 B9R1.3 Cn1cccc(c1=O)Br 1P003ALX [0,2,0,0,0,0|1,0,1]=4 4556 B9R1.3 Cn1cccc(c1=O)I 1P01K159 [0,2,0,0,0,0|1,0,1]=4 4557 B9R1.3 Cn1cccc(c1=O)N 1P0039L3 [0,2,0,0,0,0|1,0,1]=4 4558 B9R1.3 Cn1cccc(c1=O)N 1P00C7BC [0,2,0,0,0,0|1,0,1]=4 4559 B9R1.3 Cn1cccc(c1=O)O 1P0075J0 [0,2,0,0,0,0|1,0,0]=3 4560 B9R1.3 F[n+]1c(Cl)cccc1Cl 1P000UWD [0,2,0,0,0,0|2,0,0]=4 4561 B9R1.3 Fc1c(Br)cccc1I 1P003AT1 [0,2,0,0,0,0|1,0,0]=3 4562 B9R1.3 Fc1c(Br)ccnc1Br 1P021TAJ [0,2,0,0,0,0|2,0,0]=4 4563 B9R1.3 Fc1c(Br)ccnc1F 1P000JUV [0,2,0,0,0,0|2,0,0]=4 4564 B9R1.3 Fc1c(C)cccc1Br 1P003JH4 [0,2,0,0,0,0|1,0,0]=3 4565 B9R1.3 Fc1c(C)cccc1Cl 1P004P4Z [0,2,0,0,0,0|1,0,0]=3 4566 B9R1.3 Fc1c(C)cccc1F 1P003FZC [0,2,0,0,0,0|1,0,0]=3 4567 B9R1.3 Fc1c(C)cccc1I 1P0037FH [0,2,0,0,0,0|1,0,0]=3 4568 B9R1.3 Fc1c(C)cccc1N 1P002BI6 [0,2,0,0,0,0|1,0,0]=3 4569 B9R1.3 Fc1c(C)cccc1O 1P008OY9 [0,2,0,0,0,0|0,0,0]=2 4570 B9R1.3 Fc1c(C)ccnc1F 1P028XE7 [0,2,0,0,0,0|2,0,0]=4 4571 B9R1.3 Fc1c(C)cncc1Br 1P01B5EU [0,2,0,0,0,0|2,0,0]=4 4572 B9R1.3 Fc1c(C)ncnc1O 1P00BH1G [0,2,0,0,0,0|2,0,0]=4 4573 B9R1.3 Fc1c(Cl)cccc1Br 1P001K9H [0,2,0,0,0,0|1,0,0]=3 4574 B9R1.3 Fc1c(Cl)cccc1I 1P003JNL [0,2,0,0,0,0|1,0,0]=3 4575 B9R1.3 Fc1c(Cl)ccnc1Cl 1P0033FM [0,2,0,0,0,0|2,0,0]=4 4576 B9R1.3 Fc1c(Cl)ccnc1F 1P004OXS [0,2,0,0,0,0|2,0,0]=4 4577 B9R1.3 Fc1c(Cl)cncc1Br 1P028WDI [0,2,0,0,0,0|2,0,0]=4 4578 B9R1.3 Fc1c(F)cccc1Br 1P003EJF [0,2,0,0,0,0|1,0,0]=3 4579 B9R1.3 Fc1c(F)cccc1Cl 1P00C1IF [0,2,0,0,0,0|1,0,0]=3 4580 B9R1.3 Fc1c(F)cccc1F 1P001LQ6 [0,2,0,0,0,0|1,0,0]=3 4581 B9R1.3 Fc1c(F)cccc1I 1P00E9V8 [0,2,0,0,0,0|1,0,0]=3 4582 B9R1.3 Fc1c(F)cccc1S 1P000VL0 [0,2,0,0,0,0|0,1,0]=3 4583 B9R1.3 Fc1c(F)ccnc1Br 1P01DWBD [0,2,0,0,0,0|2,0,0]=4 4584 B9R1.3 Fc1c(F)ccnc1F 1P0055H1 [0,2,0,0,0,0|2,0,0]=4 4585 B9R1.3 Fc1c(F)ccnc1N 1P01FSMR [0,2,0,0,0,0|2,0,0]=4 4586 B9R1.3 Fc1c(F)cncc1Cl 1P004XWY [0,2,0,0,0,0|2,0,0]=4 4587 B9R1.3 Fc1c(F)cncc1F 1P0037AC [0,2,0,0,0,0|2,0,0]=4 4588 B9R1.3 Fc1c(I)ccnc1F 1P0038UY [0,2,0,0,0,0|2,0,0]=4 4589 B9R1.3 Fc1c(N)cccc1Br 1P003817 [0,2,0,0,0,0|1,0,0]=3 4590 B9R1.3 Fc1c(N)cccc1Br 1P00A19K [0,2,0,0,0,0|1,0,0]=3 4591 B9R1.3 Fc1c(N)cccc1Cl 1P002LD1 [0,2,0,0,0,0|1,0,0]=3 4592 B9R1.3 Fc1c(N)cccc1F 1P0033EF [0,2,0,0,0,0|1,0,0]=3 4593 B9R1.3 Fc1c(N)cccc1I 1P01JKXD [0,2,0,0,0,0|1,0,0]=3 4594 B9R1.3 Fc1c(N)cccc1I 1P028AY3 [0,2,0,0,0,0|1,0,0]=3 4595 B9R1.3 Fc1c(N)cccc1O 1P00HF4R [0,2,0,0,0,0|0,0,0]=2 4596 B9R1.3 Fc1c(N)ccnc1F 1P01B7XG [0,2,0,0,0,0|2,0,0]=4 4597 B9R1.3 Fc1c(N)ccnc1F 1P01BV3Y [0,2,0,0,0,0|2,0,0]=4 4598 B9R1.3 Fc1c(O)cccc1Cl 1P002S9D [0,2,0,0,0,0|0,0,0]=2 4599 B9R1.3 Fc1c(O)cccc1F 1P0033EH [0,2,0,0,0,0|0,0,0]=2 4600 B9R1.3 Fc1c(O)ccnc1F 1P000JSD [0,2,0,0,0,0|1,0,0]=3 4601 B9R1.3 Fc1c(O)cncc1Br 1P01JPJ8 [0,2,0,0,0,0|1,0,0]=3 4602 B9R1.3 Fc1c(O)ncnc1F 1P02925Z [0,2,0,0,0,0|2,0,0]=4 4603 B9R1.3 Fc1c(S)cccc1Cl 1P008YGR [0,2,0,0,0,0|0,1,0]=3 4604 B9R1.3 Fc1cccc(c1Br)F 1P0037JN [0,2,0,0,0,0|1,0,0]=3 4605 B9R1.3 Fc1cccc(c1C)F 1P003GLB [0,2,0,0,0,0|1,0,0]=3 4606 B9R1.3 Fc1cccc(c1Cl)F 1P003EO4 [0,2,0,0,0,0|1,0,0]=3 4607 B9R1.3 Fc1cccc(c1I)F 1P00133D [0,2,0,0,0,0|1,0,0]=3 4608 B9R1.3 Fc1cccc(c1N)F 1P0033I5 [0,2,0,0,0,0|1,0,0]=3 4609 B9R1.3 Fc1cccc(c1O)F 1P0036G9 [0,2,0,0,0,0|0,0,0]=2 4610 B9R1.3 Fc1cccc(c1S)F 1P0039DS [0,2,0,0,0,0|0,1,0]=3 4611 B9R1.3 Fc1ccnc(c1Br)C 1P01BEDI [0,2,0,0,0,0|2,0,0]=4 4612 B9R1.3 Fc1ccnc(c1Br)Cl 1P01EH52 [0,2,0,0,0,0|2,0,0]=4 4613 B9R1.3 Fc1ccnc(c1Br)N 1P001HFQ [0,2,0,0,0,0|2,0,0]=4 4614 B9R1.3 Fc1ccnc(c1C)Br 1P021VQV [0,2,0,0,0,0|2,0,0]=4 4615 B9R1.3 Fc1ccnc(c1C)Cl 1P01E6LF [0,2,0,0,0,0|2,0,0]=4 4616 B9R1.3 Fc1ccnc(c1C)N 1P000JT0 [0,2,0,0,0,0|2,0,0]=4 4617 B9R1.3 Fc1ccnc(c1C)N 1P0286LJ [0,2,0,0,0,0|2,0,0]=4 4618 B9R1.3 Fc1ccnc(c1C)O 1P0283BG [0,2,0,0,0,0|1,0,0]=3 4619 B9R1.3 Fc1ccnc(c1Cl)C 1P0291V6 [0,2,0,0,0,0|2,0,0]=4 4620 B9R1.3 Fc1ccnc(c1Cl)N 1P01FJVX [0,2,0,0,0,0|2,0,0]=4 4621 B9R1.3 Fc1ccnc(c1I)Cl 1P00HS3Y [0,2,0,0,0,0|2,0,0]=4 4622 B9R1.3 Fc1ccnc(c1I)N 1P01B76Q [0,2,0,0,0,0|2,0,0]=4 4623 B9R1.3 Fc1ccnc(c1N)Cl 1P01BRM8 [0,2,0,0,0,0|2,0,0]=4 4624 B9R1.3 Fc1ccnc(c1O)Cl 1P000JSM [0,2,0,0,0,0|1,0,0]=3 4625 B9R1.3 Fc1cncc(c1Br)F 1P007TV3 [0,2,0,0,0,0|2,0,0]=4 4626 B9R1.3 Fc1cncc(c1Cl)F 1P004RQE [0,2,0,0,0,0|2,0,0]=4 4627 B9R1.3 Fc1cncc(c1Cl)F 1P00ILF0 [0,2,0,0,0,0|2,0,0]=4 4628 B9R1.3 Fc1cncc(c1I)F 1P008XT3 [0,2,0,0,0,0|2,0,0]=4 4629 B9R1.3 Fc1cncc(c1N)F 1P001RUP [0,2,0,0,0,0|2,0,0]=4 4630 B9R1.3 Fc1cncc(c1N)F 1P0290RA [0,2,0,0,0,0|2,0,0]=4 4631 B9R1.3 Fn1c(Cl)cccc1=[Cl+] 1P001D1K [0,2,0,0,0,0|2,0,0]=4 4632 B9R1.3 Ic1c(C)cccc1Br 1P0039WM [0,2,0,0,0,0|1,0,0]=3 4633 B9R1.3 Ic1c(C)cccc1Cl 1P00DC7M [0,2,0,0,0,0|1,0,0]=3 4634 B9R1.3 Ic1c(C)cccc1F 1P0045V3 [0,2,0,0,0,0|1,0,0]=3 4635 B9R1.3 Ic1c(C)cccc1N 1P00H0UJ [0,2,0,0,0,0|1,0,0]=3 4636 B9R1.3 Ic1c(C)cccc1O 1P009D6N [0,2,0,0,0,0|0,0,0]=2 4637 B9R1.3 Ic1c(C)ccnc1C 1P028SAB [0,2,0,0,0,0|2,0,0]=4 4638 B9R1.3 Ic1c(Cl)cccc1Br 1P0070RI [0,2,0,0,0,0|1,0,0]=3 4639 B9R1.3 Ic1c(Cl)ccnc1Cl 1P003BLB [0,2,0,0,0,0|2,0,0]=4 4640 B9R1.3 Ic1c(F)cccc1Br 1P00D8OE [0,2,0,0,0,0|1,0,0]=3 4641 B9R1.3 Ic1c(F)cccc1Cl 1P000XQI [0,2,0,0,0,0|1,0,0]=3 4642 B9R1.3 Ic1c(F)ccnc1F 1P00G2NH [0,2,0,0,0,0|2,0,0]=4 4643 B9R1.3 Ic1c(F)cncc1Br 1P00K7SS [0,2,0,0,0,0|2,0,0]=4 4644 B9R1.3 Ic1c(I)ccnc1Cl 1P003HBO [0,2,0,0,0,0|2,0,0]=4 4645 B9R1.3 Ic1c(I)ccnc1F 1P007YRF [0,2,0,0,0,0|2,0,0]=4 4646 B9R1.3 Ic1c(N)cccc1Br 1P00ANNC [0,2,0,0,0,0|1,0,0]=3 4647 B9R1.3 Ic1c(N)cccc1Br 1P01B2SZ [0,2,0,0,0,0|1,0,0]=3 4648 B9R1.3 Ic1c(N)cccc1Cl 1P006BN5 [0,2,0,0,0,0|1,0,0]=3 4649 B9R1.3 Ic1c(N)cccc1F 1P0017Q6 [0,2,0,0,0,0|1,0,0]=3 4650 B9R1.3 Ic1c(N)cccc1F 1P0065V9 [0,2,0,0,0,0|1,0,0]=3 4651 B9R1.3 Ic1c(N)cncc1Br 1P0022IM [0,2,0,0,0,0|2,0,0]=4 4652 B9R1.3 Ic1c(N)cncc1F 1P00HUBA [0,2,0,0,0,0|2,0,0]=4 4653 B9R1.3 Ic1c(O)cccc1Br 1P004QYS [0,2,0,0,0,0|0,0,0]=2 4654 B9R1.3 Ic1c(O)cccc1Cl 1P004NYO [0,2,0,0,0,0|0,0,0]=2 4655 B9R1.3 Ic1c(O)cccc1F 1P004OSW [0,2,0,0,0,0|0,0,0]=2 4656 B9R1.3 Ic1c(O)ncnc1Cl 1P01E8XF [0,2,0,0,0,0|2,0,0]=4 4657 B9R1.3 Ic1c[nH]cc(c1=O)I 1P00DEMO [0,2,0,0,0,0|1,0,1]=4 4658 B9R1.3 Ic1cc[nH]c(=N)c1Cl 1P0096JK [0,2,0,0,0,0|2,0,0]=4 4659 B9R1.3 Ic1cccc(c1O)I 1P01BW9G [0,2,0,0,0,0|0,0,0]=2 4660 B9R1.3 Ic1ccnc(c1Br)F 1P00IFK4 [0,2,0,0,0,0|2,0,0]=4 4661 B9R1.3 Ic1ccnc(c1Br)N 1P028S0Z [0,2,0,0,0,0|2,0,0]=4 4662 B9R1.3 Ic1ccnc(c1C)Cl 1P00AP1E [0,2,0,0,0,0|2,0,0]=4 4663 B9R1.3 Ic1ccnc(c1C)F 1P0036IU [0,2,0,0,0,0|2,0,0]=4 4664 B9R1.3 Ic1ccnc(c1C)N 1P00HHE2 [0,2,0,0,0,0|2,0,0]=4 4665 B9R1.3 Ic1ccnc(c1Cl)C 1P01A5ZY [0,2,0,0,0,0|2,0,0]=4 4666 B9R1.3 Ic1ccnc(c1Cl)F 1P00GJC6 [0,2,0,0,0,0|2,0,0]=4 4667 B9R1.3 Ic1ccnc(c1F)Br 1P021PUC [0,2,0,0,0,0|2,0,0]=4 4668 B9R1.3 Ic1ccnc(c1F)Cl 1P001LJW [0,2,0,0,0,0|2,0,0]=4 4669 B9R1.3 Ic1ccnc(c1F)N 1P01NIW3 [0,2,0,0,0,0|2,0,0]=4 4670 B9R1.3 Ic1ccnc(c1F)O 1P01UNOW [0,2,0,0,0,0|1,0,0]=3 4671 B9R1.3 Ic1ccnc(c1O)Cl 1P01DU8D [0,2,0,0,0,0|1,0,0]=3 4672 B9R1.3 Ic1ccnc(c1O)F 1P01K7FV [0,2,0,0,0,0|1,0,0]=3 4673 B9R1.3 Ic1cncc(c1N)I 1P003L5Q [0,2,0,0,0,0|2,0,0]=4 4674 B9R1.3 Ic1cncc(c1O)I 1P00FEUP [0,2,0,0,0,0|1,0,0]=3 4675 B9R1.3 Nc1c(Br)cccc1I 1P004SJ3 [0,2,0,0,0,0|1,0,0]=3 4676 B9R1.3 Nc1c(Br)ccnc1Br 1P0007HB [0,2,0,0,0,0|2,0,0]=4 4677 B9R1.3 Nc1c(Br)ccnc1N 1P000KOH [0,2,0,0,0,0|2,0,0]=4 4678 B9R1.3 Nc1c(Br)cncc1I 1P003L5U [0,2,0,0,0,0|2,0,0]=4 4679 B9R1.3 Nc1c(C)cccc1Br 1P003H7P [0,2,0,0,0,0|1,0,0]=3 4680 B9R1.3 Nc1c(C)cccc1Cl 1P0033PK [0,2,0,0,0,0|1,0,0]=3 4681 B9R1.3 Nc1c(C)cccc1F 1P003HRT [0,2,0,0,0,0|1,0,0]=3 4682 B9R1.3 Nc1c(C)cccc1I 1P0058EZ [0,2,0,0,0,0|1,0,0]=3 4683 B9R1.3 Nc1c(C)cccc1N 1P003BKF [0,2,0,0,0,0|1,0,0]=3 4684 B9R1.3 Nc1c(C)cccc1O 1P00I5S9 [0,2,0,0,0,0|0,0,0]=2 4685 B9R1.3 Nc1c(C)cccc1S 1P005YCV [0,2,0,0,0,0|0,1,0]=3 4686 B9R1.3 Nc1c(C)ccnc1C 1P0085CQ [0,2,0,0,0,0|2,0,0]=4 4687 B9R1.3 Nc1c(C)ccnc1N 1P003863 [0,2,0,0,0,0|2,0,0]=4 4688 B9R1.3 Nc1c(C)cncc1Br 1P00378N [0,2,0,0,0,0|2,0,0]=4 4689 B9R1.3 Nc1c(C)cncc1Cl 1P00IKGK [0,2,0,0,0,0|2,0,0]=4 4690 B9R1.3 Nc1c(C)cncc1F 1P001BRQ [0,2,0,0,0,0|2,0,0]=4 4691 B9R1.3 Nc1c(C)cncc1I 1P003L6R [0,2,0,0,0,0|2,0,0]=4 4692 B9R1.3 Nc1c(C)cncc1N 1P001BRP [0,2,0,0,0,0|2,0,0]=4 4693 B9R1.3 Nc1c(Cl)cccc1Br 1P0037GK [0,2,0,0,0,0|1,0,0]=3 4694 B9R1.3 Nc1c(Cl)cccc1Br 1P01FJ5S [0,2,0,0,0,0|1,0,0]=3 4695 B9R1.3 Nc1c(Cl)cccc1I 1P004W9T [0,2,0,0,0,0|1,0,0]=3 4696 B9R1.3 Nc1c(Cl)ccnc1Cl 1P001ZMV [0,2,0,0,0,0|2,0,0]=4 4697 B9R1.3 Nc1c(Cl)ccnc1N 1P002OR7 [0,2,0,0,0,0|2,0,0]=4 4698 B9R1.3 Nc1c(Cl)cncc1Br 1P001RUM [0,2,0,0,0,0|2,0,0]=4 4699 B9R1.3 Nc1c(Cl)cncc1I 1P000UFI [0,2,0,0,0,0|2,0,0]=4 4700 B9R1.3 Nc1c(F)cccc1Br 1P003H7E [0,2,0,0,0,0|1,0,0]=3 4701 B9R1.3 Nc1c(F)cccc1Cl 1P003HGZ [0,2,0,0,0,0|1,0,0]=3 4702 B9R1.3 Nc1c(F)cccc1I 1P0048T2 [0,2,0,0,0,0|1,0,0]=3 4703 B9R1.3 Nc1c(F)cccc1S 1P005MXQ [0,2,0,0,0,0|0,1,0]=3 4704 B9R1.3 Nc1c(F)ccnc1F 1P0091JC [0,2,0,0,0,0|2,0,0]=4 4705 B9R1.3 Nc1c(F)cncc1Br 1P00158F [0,2,0,0,0,0|2,0,0]=4 4706 B9R1.3 Nc1c(F)cncc1Br 1P028Z8U [0,2,0,0,0,0|2,0,0]=4 4707 B9R1.3 Nc1c(F)cncc1Cl 1P000JTM [0,2,0,0,0,0|2,0,0]=4 4708 B9R1.3 Nc1c(F)cncc1I 1P001RTU [0,2,0,0,0,0|2,0,0]=4 4709 B9R1.3 Nc1c(N)cccc1Br 1P001PY3 [0,2,0,0,0,0|1,0,0]=3 4710 B9R1.3 Nc1c(N)cccc1Br 1P007Q7D [0,2,0,0,0,0|1,0,0]=3 4711 B9R1.3 Nc1c(N)cccc1Cl 1P0038MS [0,2,0,0,0,0|1,0,0]=3 4712 B9R1.3 Nc1c(N)cccc1F 1P003JVN [0,2,0,0,0,0|1,0,0]=3 4713 B9R1.3 Nc1c(N)cccc1I 1P00CZBM [0,2,0,0,0,0|1,0,0]=3 4714 B9R1.3 Nc1c(N)ccnc1Br 1P002IKE [0,2,0,0,0,0|2,0,0]=4 4715 B9R1.3 Nc1c(N)ccnc1C 1P001R2S [0,2,0,0,0,0|2,0,0]=4 4716 B9R1.3 Nc1c(N)ccnc1Cl 1P0076G6 [0,2,0,0,0,0|2,0,0]=4 4717 B9R1.3 Nc1c(N)ccnc1N 1P00DETR [0,2,0,0,0,0|2,0,0]=4 4718 B9R1.3 Nc1c(N)ccnc1O 1P00C7H7 [0,2,0,0,0,0|1,0,0]=3 4719 B9R1.3 Nc1c(N)cncc1Br 1P0034OL [0,2,0,0,0,0|2,0,0]=4 4720 B9R1.3 Nc1c(N)cncc1Cl 1P00GVGQ [0,2,0,0,0,0|2,0,0]=4 4721 B9R1.3 Nc1c(N)cncc1I 1P01AMBM [0,2,0,0,0,0|2,0,0]=4 4722 B9R1.3 Nc1c(N)cncc1N 1P00EG2X [0,2,0,0,0,0|2,0,0]=4 4723 B9R1.3 Nc1c(N)ncnc1O 1P00DBS6 [0,2,0,0,0,0|2,0,0]=4 4724 B9R1.3 Nc1c(O)cccc1Br 1P000CYK [0,2,0,0,0,0|0,0,0]=2 4725 B9R1.3 Nc1c(O)cccc1Cl 1P00382N [0,2,0,0,0,0|0,0,0]=2 4726 B9R1.3 Nc1c(O)cccc1Cl 1P01AMQQ [0,2,0,0,0,0|0,0,0]=2 4727 B9R1.3 Nc1c(O)cccc1F 1P0037S7 [0,2,0,0,0,0|0,0,0]=2 4728 B9R1.3 Nc1c(O)cccc1F 1P00I3OX [0,2,0,0,0,0|0,0,0]=2 4729 B9R1.3 Nc1c(O)cccc1I 1P0072EJ [0,2,0,0,0,0|0,0,0]=2 4730 B9R1.3 Nc1c(O)ccnc1O 1P008YVB [0,2,0,0,0,0|1,0,0]=3 4731 B9R1.3 Nc1c(O)cncc1F 1P027UP1 [0,2,0,0,0,0|1,0,0]=3 4732 B9R1.3 Nc1c(S)cccc1Br 1P005YJD [0,2,0,0,0,0|0,1,0]=3 4733 B9R1.3 Nc1c(S)cccc1Cl 1P00C79F [0,2,0,0,0,0|0,1,0]=3 4734 B9R1.3 Nc1c[nH]cc(c1=O)Br 1P00ICPF [0,2,0,0,0,0|1,0,1]=4 4735 B9R1.3 Nc1cc[nH]c(=O)c1Cl 1P00DGR1 [0,2,0,0,0,0|1,0,1]=4 4736 B9R1.3 Nc1cccc(c1C)N 1P008L17 [0,2,0,0,0,0|1,0,0]=3 4737 B9R1.3 Nc1cccc(c1O)N 1P0022TV [0,2,0,0,0,0|0,0,0]=2 4738 B9R1.3 Nc1ccnc(c1Br)C 1P00IKGJ [0,2,0,0,0,0|2,0,0]=4 4739 B9R1.3 Nc1ccnc(c1Br)Cl 1P003L5T [0,2,0,0,0,0|2,0,0]=4 4740 B9R1.3 Nc1ccnc(c1Br)F 1P0012DC [0,2,0,0,0,0|2,0,0]=4 4741 B9R1.3 Nc1ccnc(c1C)Br 1P005CTD [0,2,0,0,0,0|2,0,0]=4 4742 B9R1.3 Nc1ccnc(c1C)Cl 1P005CTC [0,2,0,0,0,0|2,0,0]=4 4743 B9R1.3 Nc1ccnc(c1C)F 1P001BAI [0,2,0,0,0,0|2,0,0]=4 4744 B9R1.3 Nc1ccnc(c1Cl)Br 1P00EGNW [0,2,0,0,0,0|2,0,0]=4 4745 B9R1.3 Nc1ccnc(c1Cl)C 1P006B0Z [0,2,0,0,0,0|2,0,0]=4 4746 B9R1.3 Nc1ccnc(c1Cl)F 1P000JSR [0,2,0,0,0,0|2,0,0]=4 4747 B9R1.3 Nc1ccnc(c1Cl)F 1P01BW8S [0,2,0,0,0,0|2,0,0]=4 4748 B9R1.3 Nc1ccnc(c1F)Br 1P01DZ7E [0,2,0,0,0,0|2,0,0]=4 4749 B9R1.3 Nc1ccnc(c1F)C 1P001R2R [0,2,0,0,0,0|2,0,0]=4 4750 B9R1.3 Nc1ccnc(c1F)Cl 1P000JSS [0,2,0,0,0,0|2,0,0]=4 4751 B9R1.3 Nc1ccnc(c1F)Cl 1P01C2XU [0,2,0,0,0,0|2,0,0]=4 4752 B9R1.3 Nc1ccnc(c1I)Br 1P000UFK [0,2,0,0,0,0|2,0,0]=4 4753 B9R1.3 Nc1ccnc(c1I)C 1P00G65M [0,2,0,0,0,0|2,0,0]=4 4754 B9R1.3 Nc1ccnc(c1I)Cl 1P00390F [0,2,0,0,0,0|2,0,0]=4 4755 B9R1.3 Nc1ccnc(c1O)Cl 1P000JQE [0,2,0,0,0,0|1,0,0]=3 4756 B9R1.3 O=c1cc[nH]c(c1O)C 1P00AQEP [0,2,0,0,0,0|1,0,0]=3 4757 B9R1.3 O=c1cc[nH]c(c1O)C 1P01C462 [0,2,0,0,0,0|1,0,0]=3 4758 B9R1.3 O=c1ccoc(c1O)C 1P0038N7 [0,2,0,0,0,0|1,0,0]=3 4759 B9R1.3 O=c1ccoc(c1[O-])C 1P007JDR [0,2,0,0,0,0|1,0,1]=4 4760 B9R1.3 Oc1c(Br)cccc1I 1P0029PT [0,2,0,0,0,0|0,0,0]=2 4761 B9R1.3 Oc1c(Br)ccnc1Br 1P0080YP [0,2,0,0,0,0|1,0,0]=3 4762 B9R1.3 Oc1c(Br)cncc1I 1P01FMO1 [0,2,0,0,0,0|1,0,0]=3 4763 B9R1.3 Oc1c(C)cccc1Br 1P0014UW [0,2,0,0,0,0|0,0,0]=2 4764 B9R1.3 Oc1c(C)cccc1Cl 1P0033PL [0,2,0,0,0,0|0,0,0]=2 4765 B9R1.3 Oc1c(C)cccc1F 1P00DDIF [0,2,0,0,0,0|0,0,0]=2 4766 B9R1.3 Oc1c(C)cccc1N 1P0025BU [0,2,0,0,0,0|0,0,0]=2 4767 B9R1.3 Oc1c(C)cccc1N 1P00J295 [0,2,0,0,0,0|0,0,0]=2 4768 B9R1.3 Oc1c(C)cncc1Br 1P01K0QG [0,2,0,0,0,0|1,0,0]=3 4769 B9R1.3 Oc1c(Cl)cccc1Br 1P0029PS [0,2,0,0,0,0|0,0,0]=2 4770 B9R1.3 Oc1c(Cl)cccc1I 1P00BIR0 [0,2,0,0,0,0|0,0,0]=2 4771 B9R1.3 Oc1c(Cl)ccnc1Cl 1P00C6TK [0,2,0,0,0,0|1,0,0]=3 4772 B9R1.3 Oc1c(Cl)cncc1Br 1P01FSLA [0,2,0,0,0,0|1,0,0]=3 4773 B9R1.3 Oc1c(Cl)cncc1I 1P02861H [0,2,0,0,0,0|1,0,0]=3 4774 B9R1.3 Oc1c(F)cccc1Br 1P0029PR [0,2,0,0,0,0|0,0,0]=2 4775 B9R1.3 Oc1c(F)cccc1Cl 1P0029PQ [0,2,0,0,0,0|0,0,0]=2 4776 B9R1.3 Oc1c(F)cccc1I 1P00BG0L [0,2,0,0,0,0|0,0,0]=2 4777 B9R1.3 Oc1c(F)cncc1Br 1P0015BD [0,2,0,0,0,0|1,0,0]=3 4778 B9R1.3 Oc1c(I)ccnc1I 1P005799 [0,2,0,0,0,0|1,0,0]=3 4779 B9R1.3 Oc1c(N)cccc1Br 1P00BDV4 [0,2,0,0,0,0|0,0,0]=2 4780 B9R1.3 Oc1c(N)cccc1Cl 1P007BLI [0,2,0,0,0,0|0,0,0]=2 4781 B9R1.3 Oc1c(N)cccc1Cl 1P01AHOX [0,2,0,0,0,0|0,0,0]=2 4782 B9R1.3 Oc1c(N)cccc1F 1P003GZ5 [0,2,0,0,0,0|0,0,0]=2 4783 B9R1.3 Oc1c(N)cccc1I 1P00IKTM [0,2,0,0,0,0|0,0,0]=2 4784 B9R1.3 Oc1c(N)cncc1Br 1P000464 [0,2,0,0,0,0|1,0,0]=3 4785 B9R1.3 Oc1c(N)cncc1I 1P0014X5 [0,2,0,0,0,0|1,0,0]=3 4786 B9R1.3 Oc1c(N)cncc1I 1P0014ZC [0,2,0,0,0,0|1,0,0]=3 4787 B9R1.3 Oc1c(N)ncnc1Cl 1P00CBFX [0,2,0,0,0,0|2,0,0]=4 4788 B9R1.3 Oc1c(O)cccc1Br 1P001IVQ [0,2,0,0,0,0|0,0,0]=2 4789 B9R1.3 Oc1c(O)cccc1F 1P007AKV [0,2,0,0,0,0|0,0,0]=2 4790 B9R1.3 Oc1c(O)cccc1I 1P00ARL6 [0,2,0,0,0,0|0,0,0]=2 4791 B9R1.3 Oc1c(O)cccc1O 1P003A2P [0,2,0,0,0,0|0,0,0]=2 4792 B9R1.3 Oc1c(O)ccnc1Br 1P02938P [0,2,0,0,0,0|1,0,0]=3 4793 B9R1.3 Oc1c(O)ccnc1C 1P00CKMV [0,2,0,0,0,0|1,0,0]=3 4794 B9R1.3 Oc1c(S)cccc1Br 1P028ZBH [0,2,0,0,0,0|0,0,0]=2 4795 B9R1.3 Oc1c[nH]cc(c1=O)F 1P00HEZT [0,2,0,0,0,0|1,0,0]=3 4796 B9R1.3 Oc1cc[nH]c(=O)c1Br 1P005VSE [0,2,0,0,0,0|1,0,0]=3 4797 B9R1.3 Oc1cc[nH]c(=O)c1C 1P0072L8 [0,2,0,0,0,0|1,0,0]=3 4798 B9R1.3 Oc1cc[nH]c(=O)c1Cl 1P0085VH [0,2,0,0,0,0|1,0,0]=3 4799 B9R1.3 Oc1cccc(c1Br)O 1P003H87 [0,2,0,0,0,0|0,0,0]=2 4800 B9R1.3 Oc1cccc(c1C)O 1P003I78 [0,2,0,0,0,0|0,0,0]=2 4801 B9R1.3 Oc1cccc(c1Cl)O 1P00IBF7 [0,2,0,0,0,0|0,0,0]=2 4802 B9R1.3 Oc1cccc(c1F)O 1P007IK2 [0,2,0,0,0,0|0,0,0]=2 4803 B9R1.3 Oc1cccc(c1I)O 1P00C7EQ [0,2,0,0,0,0|0,0,0]=2 4804 B9R1.3 Oc1cccc(c1N)O 1P003H0T [0,2,0,0,0,0|0,0,0]=2 4805 B9R1.3 Oc1cccc(c1N)O 1P00E943 [0,2,0,0,0,0|0,0,0]=2 4806 B9R1.3 Oc1ccnc(c1Br)Cl 1P00HGED [0,2,0,0,0,0|1,0,0]=3 4807 B9R1.3 Oc1ccnc(c1C)Br 1P01BBWO [0,2,0,0,0,0|1,0,0]=3 4808 B9R1.3 Oc1ccnc(c1C)N 1P028IKC [0,2,0,0,0,0|1,0,0]=3 4809 B9R1.3 Oc1ccnc(c1Cl)Br 1P00HGEQ [0,2,0,0,0,0|1,0,0]=3 4810 B9R1.3 Oc1ccnc(c1Cl)C 1P01C8JM [0,2,0,0,0,0|1,0,0]=3 4811 B9R1.3 Oc1ccnc(c1F)Br 1P008V8W [0,2,0,0,0,0|1,0,0]=3 4812 B9R1.3 Oc1ccnc(c1F)Cl 1P0081M8 [0,2,0,0,0,0|1,0,0]=3 4813 B9R1.3 Oc1ccnc(c1N)C 1P028QPS [0,2,0,0,0,0|1,0,0]=3 4814 B9R1.3 Oc1ccnc(c1N)Cl 1P000M5D [0,2,0,0,0,0|1,0,0]=3 4815 B9R1.3 Oc1cn[nH]c(=O)c1Cl 1P00EGMN [0,2,0,0,0,0|2,0,0]=4 4816 B9R1.3 Oc1nc[nH]c(=O)c1Br 1P001PT9 [0,2,0,0,0,0|2,0,0]=4 4817 B9R1.3 Oc1nc[nH]c(=O)c1C 1P0027ZH [0,2,0,0,0,0|2,0,0]=4 4818 B9R1.3 Oc1nc[nH]c(=O)c1Cl 1P000J0T [0,2,0,0,0,0|2,0,0]=4 4819 B9R1.3 Oc1nc[nH]c(=O)c1I 1P00A0SN [0,2,0,0,0,0|2,0,0]=4 4820 B9R1.3 Oc1ncnc(c1C)O 1P00IM60 [0,2,0,0,0,0|2,0,0]=4 4821 B9R1.3 Oc1ncnc(c1F)O 1P003N85 [0,2,0,0,0,0|2,0,0]=4 4822 B9R1.3 Oc1ncnc(c1N)O 1P003MUL [0,2,0,0,0,0|2,0,0]=4 4823 B9R1.3 Sc1c(C)cccc1Cl 1P002HHE [0,2,0,0,0,0|0,1,0]=3 4824 B9R1.3 Sc1c(C)cccc1F 1P01FFLZ [0,2,0,0,0,0|0,1,0]=3 4825 B9R1.3 Sc1c(C)cccc1N 1P01B6VH [0,2,0,0,0,0|0,1,0]=3 4826 B9R1.3 Sc1c(Cl)cccc1Br 1P01B9K2 [0,2,0,0,0,0|0,1,0]=3 4827 B9R1.3 Sc1c(F)cccc1Br 1P01B9MZ [0,2,0,0,0,0|0,1,0]=3 4828 B9R1.3 Sc1c(F)cccc1Cl 1P01BL0L [0,2,0,0,0,0|0,1,0]=3 4829 B9R1.3 Sc1c(N)cccc1Cl 1P019W1V [0,2,0,0,0,0|0,1,0]=3 4830 B9R1.3 Sc1c(N)cccc1F 1P01A3FJ [0,2,0,0,0,0|0,1,0]=3 4831 B9R1.3 Sc1c(N)cccc1F 1P02837Y [0,2,0,0,0,0|0,1,0]=3 4832 B9R1.3 Sc1c(O)cccc1Br 1P004F6E [0,2,0,0,0,0|0,0,0]=2 4833 B9R1.3 Sc1c(O)cccc1F 1P0285BP [0,2,0,0,0,0|0,0,0]=2 4834 B9R1.3 Sc1ccnc(c1Cl)C 1P028YNR [0,2,0,0,0,0|1,1,0]=4 4835 B9R1.3 Sc1ccnc(c1Cl)N 1P01JV12 [0,2,0,0,0,0|1,1,0]=4 4836 B9R1.3 Sc1ccnc(c1Cl)N 1P01K8EH [0,2,0,0,0,0|1,1,0]=4 4837 B9R1.3 [BH3-][n+]1c(C)cccc1C 1P00CL48 [0,2,0,0,0,0|2,0,0]=4 4838 B9R1.3 [O-][n+]1c(Br)cccc1Br 1P003882 [0,2,0,0,0,0|1,0,1]=4 4839 B9R1.3 [O-][n+]1c(C)cccc1C 1P003GMH [0,2,0,0,0,0|1,0,1]=4 4840 B9R1.3 [O-][n+]1c(Cl)cccc1Cl 1P0033I2 [0,2,0,0,0,0|1,0,1]=4 4841 B9R1.3 [O-][n+]1cccc(c1Br)C 1P002GA5 [0,2,0,0,0,0|1,0,1]=4 4842 B9R1.3 [O-][n+]1cccc(c1Cl)C 1P00379Q [0,2,0,0,0,0|1,0,1]=4 4843 B9R1.3 [O-][n+]1cccc(c1Cl)C 1P028PXF [0,2,0,0,0,0|1,0,1]=4 4844 B9R1.3 [O-][n+]1cccc(c1Cl)F 1P008FWF [0,2,0,0,0,0|1,0,1]=4 4845 B9R1.34 Brc1cc(Br)cc(c1)Br 1P00331R [0,2,0,0,0,0|1,0,0]=3 4846 B9R1.34 Brc1cc(Br)cc(c1)I 1P002BBY [0,2,0,0,0,0|1,0,0]=3 4847 B9R1.34 Brc1cc(Br)nc(c1)Br 1P006XUG [0,2,0,0,0,0|2,0,0]=4 4848 B9R1.34 Brc1cc(C)[nH]c(=O)c1 1P00KA9J [0,2,0,0,0,0|1,0,1]=4 4849 B9R1.34 Brc1cc(C)nc(c1)Br 1P00GAMS [0,2,0,0,0,0|2,0,0]=4 4850 B9R1.34 Brc1cc(C)nc(c1)C 1P0037LN [0,2,0,0,0,0|2,0,0]=4 4851 B9R1.34 Brc1cc(C)nc(c1)Cl 1P0092J5 [0,2,0,0,0,0|2,0,0]=4 4852 B9R1.34 Brc1cc(C)nc(c1)F 1P000JS2 [0,2,0,0,0,0|2,0,0]=4 4853 B9R1.34 Brc1cc(C)nc(c1)N 1P003957 [0,2,0,0,0,0|2,0,0]=4 4854 B9R1.34 Brc1cc(C)nc(c1)O 1P004MH2 [0,2,0,0,0,0|1,0,0]=3 4855 B9R1.34 Brc1cc(C)oc(=O)c1 1P0011AP [0,2,0,0,0,0|1,0,1]=4 4856 B9R1.34 Brc1cc(Cl)nc(c1)Cl 1P0034DT [0,2,0,0,0,0|2,0,0]=4 4857 B9R1.34 Brc1cc(F)[nH]c(=O)c1 1P009DG1 [0,2,0,0,0,0|1,0,1]=4 4858 B9R1.34 Brc1cc(F)nc(c1)Br 1P01KKW5 [0,2,0,0,0,0|2,0,0]=4 4859 B9R1.34 Brc1cc(F)nc(c1)F 1P0037FK [0,2,0,0,0,0|2,0,0]=4 4860 B9R1.34 Brc1cc(I)cc(c1)I 1P001M5C [0,2,0,0,0,0|1,0,0]=3 4861 B9R1.34 Brc1cc(N)nc(c1)Br 1P00CB7Z [0,2,0,0,0,0|2,0,0]=4 4862 B9R1.34 Brc1cc(N)nc(c1)Cl 1P00HG0B [0,2,0,0,0,0|2,0,0]=4 4863 B9R1.34 Brc1cc(N)nc(c1)F 1P01JZA4 [0,2,0,0,0,0|2,0,0]=4 4864 B9R1.34 Brc1cc(N)nc(c1)N 1P0034FD [0,2,0,0,0,0|2,0,0]=4 4865 B9R1.34 Cc1[nH]c(C)cc(=O)c1 1P005EJC [0,2,0,0,0,0|1,0,1]=4 4866 B9R1.34 Cc1cc(Br)cc(c1)Br 1P001SMB [0,2,0,0,0,0|1,0,0]=3 4867 B9R1.34 Cc1cc(Br)nc(c1)Br 1P003GIY [0,2,0,0,0,0|2,0,0]=4 4868 B9R1.34 Cc1cc(C)[nH]c(=O)c1 1P001SOH [0,2,0,0,0,0|1,0,1]=4 4869 B9R1.34 Cc1cc(C)[o+]c(c1)C 1P0033FC [0,2,0,0,0,0|2,0,0]=4 4870 B9R1.34 Cc1cc(C)[o+]c(c1)C 1P006SK0 [0,2,0,0,0,0|2,0,0]=4 4871 B9R1.34 Cc1cc(C)cc(c1)Br 1P00336A [0,2,0,0,0,0|1,0,0]=3 4872 B9R1.34 Cc1cc(C)cc(c1)C 1P003PTO [0,2,0,0,0,0|1,0,0]=3 4873 B9R1.34 Cc1cc(C)cc(c1)C 1P003RXS [0,2,0,0,0,0|1,0,0]=3 4874 B9R1.34 Cc1cc(C)cc(c1)C 1P003RXU [0,2,0,0,0,0|1,0,0]=3 4875 B9R1.34 Cc1cc(C)cc(c1)Cl 1P003N5C [0,2,0,0,0,0|1,0,0]=3 4876 B9R1.34 Cc1cc(C)cc(c1)F 1P006XRI [0,2,0,0,0,0|1,0,0]=3 4877 B9R1.34 Cc1cc(C)cc(c1)I 1P003394 [0,2,0,0,0,0|1,0,0]=3 4878 B9R1.34 Cc1cc(C)cc(c1)N 1P003J5D [0,2,0,0,0,0|1,0,0]=3 4879 B9R1.34 Cc1cc(C)cc(c1)O 1P0038OZ [0,2,0,0,0,0|0,0,0]=2 4880 B9R1.34 Cc1cc(C)cc(c1)S 1P003J5F [0,2,0,0,0,0|0,1,0]=3 4881 B9R1.34 Cc1cc(C)nc(c1)Br 1P0036L0 [0,2,0,0,0,0|2,0,0]=4 4882 B9R1.34 Cc1cc(C)nc(c1)C 1P0033F3 [0,2,0,0,0,0|2,0,0]=4 4883 B9R1.34 Cc1cc(C)nc(c1)Cl 1P0031XD [0,2,0,0,0,0|2,0,0]=4 4884 B9R1.34 Cc1cc(C)nc(c1)N 1P003GVD [0,2,0,0,0,0|2,0,0]=4 4885 B9R1.34 Cc1cc(C)nc(c1)S 1P01B1VQ [0,2,0,0,0,0|1,1,0]=4 4886 B9R1.34 Cc1cc(C)nc(n1)O 1P003L0H [0,2,0,0,0,0|2,0,0]=4 4887 B9R1.34 Cc1cc(C)oc(=O)c1 1P003L0E [0,2,0,0,0,0|1,0,1]=4 4888 B9R1.34 Cc1cc(Cl)c[n+](c1)[O-] 1P01QKNQ [0,2,0,0,0,0|1,0,1]=4 4889 B9R1.34 Cc1cc(Cl)cc(c1)Br 1P003JJA [0,2,0,0,0,0|1,0,0]=3 4890 B9R1.34 Cc1cc(Cl)cc(c1)Cl 1P002R9V [0,2,0,0,0,0|1,0,0]=3 4891 B9R1.34 Cc1cc(Cl)cc(c1)I 1P00943U [0,2,0,0,0,0|1,0,0]=3 4892 B9R1.34 Cc1cc(Cl)nc(c1)Br 1P001PU1 [0,2,0,0,0,0|2,0,0]=4 4893 B9R1.34 Cc1cc(Cl)nc(c1)Cl 1P003GJN [0,2,0,0,0,0|2,0,0]=4 4894 B9R1.34 Cc1cc(F)cc(c1)Br 1P0028YS [0,2,0,0,0,0|1,0,0]=3 4895 B9R1.34 Cc1cc(F)cc(c1)Cl 1P00GV61 [0,2,0,0,0,0|1,0,0]=3 4896 B9R1.34 Cc1cc(F)cc(c1)F 1P000EN9 [0,2,0,0,0,0|1,0,0]=3 4897 B9R1.34 Cc1cc(F)cc(c1)I 1P003ESM [0,2,0,0,0,0|1,0,0]=3 4898 B9R1.34 Cc1cc(F)nc(c1)Br 1P0022N8 [0,2,0,0,0,0|2,0,0]=4 4899 B9R1.34 Cc1cc(I)cc(c1)I 1P006ZYJ [0,2,0,0,0,0|1,0,0]=3 4900 B9R1.34 Cc1cc(N)cc(c1)Br 1P005JTO [0,2,0,0,0,0|1,0,0]=3 4901 B9R1.34 Cc1cc(N)cc(c1)Br 1P00IJTR [0,2,0,0,0,0|1,0,0]=3 4902 B9R1.34 Cc1cc(N)cc(c1)Cl 1P002VP5 [0,2,0,0,0,0|1,0,0]=3 4903 B9R1.34 Cc1cc(N)cc(c1)F 1P003JXK [0,2,0,0,0,0|1,0,0]=3 4904 B9R1.34 Cc1cc(N)cc(c1)I 1P01BB12 [0,2,0,0,0,0|1,0,0]=3 4905 B9R1.34 Cc1cc(N)cc(c1)N 1P01C0PE [0,2,0,0,0,0|1,0,0]=3 4906 B9R1.34 Cc1cc(N)cc(c1)O 1P005JQZ [0,2,0,0,0,0|0,0,0]=2 4907 B9R1.34 Cc1cc(N)nc(c1)Br 1P0038WY [0,2,0,0,0,0|2,0,0]=4 4908 B9R1.34 Cc1cc(N)nc(c1)Cl 1P006VPW [0,2,0,0,0,0|2,0,0]=4 4909 B9R1.34 Cc1cc(N)nc(c1)F 1P01DH70 [0,2,0,0,0,0|2,0,0]=4 4910 B9R1.34 Cc1cc(N)nc(c1)N 1P00C5PT [0,2,0,0,0,0|2,0,0]=4 4911 B9R1.34 Cc1cc(O)[nH]c(=O)c1 1P00I91O [0,2,0,0,0,0|1,0,0]=3 4912 B9R1.34 Cc1cc(O)cc(c1)Br 1P008RG4 [0,2,0,0,0,0|0,0,0]=2 4913 B9R1.34 Cc1cc(O)cc(c1)Cl 1P00EI3O [0,2,0,0,0,0|0,0,0]=2 4914 B9R1.34 Cc1cc(O)cc(c1)F 1P003JXG [0,2,0,0,0,0|0,0,0]=2 4915 B9R1.34 Cc1cc(O)cc(c1)O 1P00I9IN [0,2,0,0,0,0|0,0,0]=2 4916 B9R1.34 Cc1cc(O)cc(c1)O 1P00IBCI [0,2,0,0,0,0|0,0,0]=2 4917 B9R1.34 Cc1cc(O)nc(c1)Cl 1P01KL71 [0,2,0,0,0,0|1,0,0]=3 4918 B9R1.34 Cc1cc(O)nc(n1)C 1P00FACV [0,2,0,0,0,0|2,0,0]=4 4919 B9R1.34 Cc1cc(O)nc(n1)Cl 1P00EYET [0,2,0,0,0,0|2,0,0]=4 4920 B9R1.34 Cc1cc(O)nc(n1)N 1P0033K0 [0,2,0,0,0,0|2,0,0]=4 4921 B9R1.34 Cc1cc(O)nc(n1)O 1P0033G5 [0,2,0,0,0,0|2,0,0]=4 4922 B9R1.34 Cc1cc(O)nc(n1)S 1P0034U3 [0,2,0,0,0,0|2,0,0]=4 4923 B9R1.34 Cc1oc(C)cc(=O)c1 1P0002DO [0,2,0,0,0,0|1,0,1]=4 4924 B9R1.34 Cc1oc(C)cc(=S)c1 1P0002DN [0,2,0,0,0,0|1,1,0]=4 4925 B9R1.34 Cc1oc(O)cc(=O)c1 1P005X5O [0,2,0,0,0,0|1,0,0]=3 4926 B9R1.34 Clc1cc(Br)cc(c1)Br 1P001LKC [0,2,0,0,0,0|1,0,0]=3 4927 B9R1.34 Clc1cc(Br)cc(c1)I 1P000VSK [0,2,0,0,0,0|1,0,0]=3 4928 B9R1.34 Clc1cc(Br)nc(c1)Br 1P000PTE [0,2,0,0,0,0|2,0,0]=4 4929 B9R1.34 Clc1cc(C)[nH]c(=N)c1 1P0037S4 [0,2,0,0,0,0|2,0,0]=4 4930 B9R1.34 Clc1cc(C)[nH]c(=O)c1 1P000JSV [0,2,0,0,0,0|1,0,1]=4 4931 B9R1.34 Clc1cc(C)nc(c1)C 1P003LJJ [0,2,0,0,0,0|2,0,0]=4 4932 B9R1.34 Clc1cc(C)nc(c1)Cl 1P003G7L [0,2,0,0,0,0|2,0,0]=4 4933 B9R1.34 Clc1cc(C)nc(c1)F 1P000JQC [0,2,0,0,0,0|2,0,0]=4 4934 B9R1.34 Clc1cc(Cl)[nH]c(=O)c1 1P00FF8G [0,2,0,0,0,0|1,0,1]=4 4935 B9R1.34 Clc1cc(Cl)cc(c1)Br 1P002BBZ [0,2,0,0,0,0|1,0,0]=3 4936 B9R1.34 Clc1cc(Cl)cc(c1)Cl 1P0083QZ [0,2,0,0,0,0|1,0,0]=3 4937 B9R1.34 Clc1cc(Cl)cc(c1)I 1P00308R [0,2,0,0,0,0|1,0,0]=3 4938 B9R1.34 Clc1cc(Cl)nc(c1)Br 1P01ONUZ [0,2,0,0,0,0|2,0,0]=4 4939 B9R1.34 Clc1cc(Cl)nc(c1)Cl 1P001SJH [0,2,0,0,0,0|2,0,0]=4 4940 B9R1.34 Clc1cc(Cl)oc(=O)c1 1P028YKY [0,2,0,0,0,0|1,0,1]=4 4941 B9R1.34 Clc1cc(F)nc(c1)Cl 1P01X9QG [0,2,0,0,0,0|2,0,0]=4 4942 B9R1.34 Clc1cc(F)nc(c1)F 1P01KLB8 [0,2,0,0,0,0|2,0,0]=4 4943 B9R1.34 Clc1cc(N)nc(c1)Br 1P00931D [0,2,0,0,0,0|2,0,0]=4 4944 B9R1.34 Clc1cc(N)nc(c1)Cl 1P000DDY [0,2,0,0,0,0|2,0,0]=4 4945 B9R1.34 Clc1cc(N)nc(c1)Cl 1P0095OK [0,2,0,0,0,0|2,0,0]=4 4946 B9R1.34 Clc1cc(N)nc(c1)F 1P01BDRK [0,2,0,0,0,0|2,0,0]=4 4947 B9R1.34 Clc1cc(N)nc(c1)N 1P00EAYK [0,2,0,0,0,0|2,0,0]=4 4948 B9R1.34 Fc1cc(Br)cc(c1)Br 1P003327 [0,2,0,0,0,0|1,0,0]=3 4949 B9R1.34 Fc1cc(Br)cc(c1)I 1P0036LE [0,2,0,0,0,0|1,0,0]=3 4950 B9R1.34 Fc1cc(Br)nc(c1)Br 1P0015B7 [0,2,0,0,0,0|2,0,0]=4 4951 B9R1.34 Fc1cc(C)nc(c1)Br 1P01UQI9 [0,2,0,0,0,0|2,0,0]=4 4952 B9R1.34 Fc1cc(C)nc(c1)C 1P00CFFD [0,2,0,0,0,0|2,0,0]=4 4953 B9R1.34 Fc1cc(C)nc(c1)F 1P008J9J [0,2,0,0,0,0|2,0,0]=4 4954 B9R1.34 Fc1cc(Cl)c[n+](c1)[O-] 1P0017CJ [0,2,0,0,0,0|1,0,1]=4 4955 B9R1.34 Fc1cc(Cl)cc(c1)Br 1P003EKP [0,2,0,0,0,0|1,0,0]=3 4956 B9R1.34 Fc1cc(Cl)cc(c1)Cl 1P003J2J [0,2,0,0,0,0|1,0,0]=3 4957 B9R1.34 Fc1cc(Cl)cc(c1)I 1P00HS3I [0,2,0,0,0,0|1,0,0]=3 4958 B9R1.34 Fc1cc(F)cc(c1)Br 1P003369 [0,2,0,0,0,0|1,0,0]=3 4959 B9R1.34 Fc1cc(F)cc(c1)Cl 1P003J3K [0,2,0,0,0,0|1,0,0]=3 4960 B9R1.34 Fc1cc(F)cc(c1)F 1P003DX5 [0,2,0,0,0,0|1,0,0]=3 4961 B9R1.34 Fc1cc(F)cc(c1)I 1P003E0D [0,2,0,0,0,0|1,0,0]=3 4962 B9R1.34 Fc1cc(F)cc(c1)S 1P003745 [0,2,0,0,0,0|0,1,0]=3 4963 B9R1.34 Fc1cc(F)nc(c1)Br 1P00BYKR [0,2,0,0,0,0|2,0,0]=4 4964 B9R1.34 Fc1cc(F)nc(c1)F 1P0032PR [0,2,0,0,0,0|2,0,0]=4 4965 B9R1.34 Fc1cc(N)nc(c1)F 1P00GXMD [0,2,0,0,0,0|2,0,0]=4 4966 B9R1.34 Fc1cc(S)cc(c1)Br 1P01BL16 [0,2,0,0,0,0|0,1,0]=3 4967 B9R1.34 Ic1cc(Br)nc(c1)Br 1P000BU8 [0,2,0,0,0,0|2,0,0]=4 4968 B9R1.34 Ic1cc(C)nc(c1)Cl 1P00HHDV [0,2,0,0,0,0|2,0,0]=4 4969 B9R1.34 Ic1cc(C)nc(c1)F 1P0033RP [0,2,0,0,0,0|2,0,0]=4 4970 B9R1.34 Ic1cc(Cl)nc(c1)Cl 1P0033HS [0,2,0,0,0,0|2,0,0]=4 4971 B9R1.34 Ic1cc(F)nc(c1)F 1P00FGGN [0,2,0,0,0,0|2,0,0]=4 4972 B9R1.34 Ic1cc(I)cc(c1)I 1P00E9FI [0,2,0,0,0,0|1,0,0]=3 4973 B9R1.34 Ic1cc(N)nc(c1)Cl 1P01DNKH [0,2,0,0,0,0|2,0,0]=4 4974 B9R1.34 Nc1cc(Br)cc(c1)Br 1P002HAV [0,2,0,0,0,0|1,0,0]=3 4975 B9R1.34 Nc1cc(Br)cc(c1)Br 1P0037NU [0,2,0,0,0,0|1,0,0]=3 4976 B9R1.34 Nc1cc(Br)cc(c1)I 1P007IKY [0,2,0,0,0,0|1,0,0]=3 4977 B9R1.34 Nc1cc(Br)nc(c1)Br 1P003L50 [0,2,0,0,0,0|2,0,0]=4 4978 B9R1.34 Nc1cc(C)nc(c1)Br 1P005CTE [0,2,0,0,0,0|2,0,0]=4 4979 B9R1.34 Nc1cc(C)nc(c1)C 1P003GMG [0,2,0,0,0,0|2,0,0]=4 4980 B9R1.34 Nc1cc(C)nc(c1)Cl 1P0054E3 [0,2,0,0,0,0|2,0,0]=4 4981 B9R1.34 Nc1cc(C)nc(c1)F 1P001TEU [0,2,0,0,0,0|2,0,0]=4 4982 B9R1.34 Nc1cc(C)nc(c1)O 1P01KL0X [0,2,0,0,0,0|1,0,0]=3 4983 B9R1.34 Nc1cc(C)oc(=O)c1 1P00AI4Y [0,2,0,0,0,0|1,0,1]=4 4984 B9R1.34 Nc1cc(Cl)[nH]c(=O)c1 1P000JUK [0,2,0,0,0,0|1,0,1]=4 4985 B9R1.34 Nc1cc(Cl)cc(c1)Br 1P0037BR [0,2,0,0,0,0|1,0,0]=3 4986 B9R1.34 Nc1cc(Cl)cc(c1)Cl 1P003J2A [0,2,0,0,0,0|1,0,0]=3 4987 B9R1.34 Nc1cc(Cl)nc(c1)Br 1P028EDV [0,2,0,0,0,0|2,0,0]=4 4988 B9R1.34 Nc1cc(Cl)nc(c1)Cl 1P0034CP [0,2,0,0,0,0|2,0,0]=4 4989 B9R1.34 Nc1cc(F)[nH]c(=O)c1 1P009QHV [0,2,0,0,0,0|1,0,1]=4 4990 B9R1.34 Nc1cc(F)cc(c1)Br 1P003JXE [0,2,0,0,0,0|1,0,0]=3 4991 B9R1.34 Nc1cc(F)cc(c1)Br 1P009XJT [0,2,0,0,0,0|1,0,0]=3 4992 B9R1.34 Nc1cc(F)cc(c1)Cl 1P003JPW [0,2,0,0,0,0|1,0,0]=3 4993 B9R1.34 Nc1cc(F)cc(c1)F 1P003J3E [0,2,0,0,0,0|1,0,0]=3 4994 B9R1.34 Nc1cc(F)cc(c1)I 1P0036Z5 [0,2,0,0,0,0|1,0,0]=3 4995 B9R1.34 Nc1cc(F)cc(c1)S 1P01AJVF [0,2,0,0,0,0|0,1,0]=3 4996 B9R1.34 Nc1cc(F)nc(c1)F 1P00EAAA [0,2,0,0,0,0|2,0,0]=4 4997 B9R1.34 Nc1cc(I)cc(c1)I 1P00CO1B [0,2,0,0,0,0|1,0,0]=3 4998 B9R1.34 Nc1cc(I)cc(c1)I 1P01BBMO [0,2,0,0,0,0|1,0,0]=3 4999 B9R1.34 Nc1cc(N)cc(c1)Br 1P0037UO [0,2,0,0,0,0|1,0,0]=3 5000 B9R1.34 Nc1cc(N)cc(c1)Cl 1P003N5B [0,2,0,0,0,0|1,0,0]=3 5001 B9R1.34 Nc1cc(N)cc(c1)F 1P01ALLA [0,2,0,0,0,0|1,0,0]=3 5002 B9R1.34 Nc1cc(N)cc(c1)I 1P007VQ2 [0,2,0,0,0,0|1,0,0]=3 5003 B9R1.34 Nc1cc(N)cc(c1)N 1P0039R0 [0,2,0,0,0,0|1,0,0]=3 5004 B9R1.34 Nc1cc(N)cc(c1)N 1P004OED [0,2,0,0,0,0|1,0,0]=3 5005 B9R1.34 Nc1cc(N)cc(c1)N 1P007UL8 [0,2,0,0,0,0|1,0,0]=3 5006 B9R1.34 Nc1cc(N)nc(c1)Cl 1P01FJ5V [0,2,0,0,0,0|2,0,0]=4 5007 B9R1.34 Nc1cc(O)cc(c1)Br 1P00027J [0,2,0,0,0,0|0,0,0]=2 5008 B9R1.34 Nc1cc(O)cc(c1)Cl 1P00IFIB [0,2,0,0,0,0|0,0,0]=2 5009 B9R1.34 Nc1cc(O)cc(c1)F 1P000DI7 [0,2,0,0,0,0|0,0,0]=2 5010 B9R1.34 Nc1cc(O)cc(c1)F 1P027YU7 [0,2,0,0,0,0|0,0,0]=2 5011 B9R1.34 Nc1cc(O)cc(c1)O 1P00BLIJ [0,2,0,0,0,0|0,0,0]=2 5012 B9R1.34 Nc1cc(O)cc(c1)O 1P00ED5R [0,2,0,0,0,0|0,0,0]=2 5013 B9R1.34 Nc1cc(O)nc(n1)C 1P003L72 [0,2,0,0,0,0|2,0,0]=4 5014 B9R1.34 Nc1cc(O)nc(n1)C 1P008PX1 [0,2,0,0,0,0|2,0,0]=4 5015 B9R1.34 Nc1cc(O)nc(n1)C 1P00IMT3 [0,2,0,0,0,0|2,0,0]=4 5016 B9R1.34 Nc1cc(O)nc(n1)N 1P00030Z [0,2,0,0,0,0|2,0,0]=4 5017 B9R1.34 O=C1CC(=CC(=O)N1)O 1P01AKQQ [0,2,0,0,0,0|1,0,1]=4 5018 B9R1.34 O=c1cc(O)[nH]c(n1)C 1P000J5H [0,2,0,0,0,0|2,0,0]=4 5019 B9R1.34 OC1=CC(=NC(=O)C1)C 1P001QHF [0,2,0,0,0,0|1,0,1]=4 5020 B9R1.34 Oc1cc(=O)[nH]c(n1)N 1P003GVC [0,2,0,0,0,0|2,0,0]=4 5021 B9R1.34 Oc1cc(Br)cc(c1)Br 1P00E9LN [0,2,0,0,0,0|0,0,0]=2 5022 B9R1.34 Oc1cc(Br)cc(c1)I 1P0037OB [0,2,0,0,0,0|0,0,0]=2 5023 B9R1.34 Oc1cc(Br)nc(c1)Br 1P00BIWA [0,2,0,0,0,0|1,0,0]=3 5024 B9R1.34 Oc1cc(C)[nH]c(=O)c1 1P0033G4 [0,2,0,0,0,0|1,0,0]=3 5025 B9R1.34 Oc1cc(C)nc(c1)C 1P0038BK [0,2,0,0,0,0|1,0,0]=3 5026 B9R1.34 Oc1cc(C)nc(c1)O 1P00FGTY [0,2,0,0,0,0|1,0,0]=3 5027 B9R1.34 Oc1cc(C)oc(=O)c1 1P0034IO [0,2,0,0,0,0|1,0,0]=3 5028 B9R1.34 Oc1cc(Cl)cc(c1)Br 1P003432 [0,2,0,0,0,0|0,0,0]=2 5029 B9R1.34 Oc1cc(Cl)cc(c1)Cl 1P003J2K [0,2,0,0,0,0|0,0,0]=2 5030 B9R1.34 Oc1cc(Cl)cc(c1)I 1P008FUH [0,2,0,0,0,0|0,0,0]=2 5031 B9R1.34 Oc1cc(Cl)nc(c1)Cl 1P007WKE [0,2,0,0,0,0|1,0,0]=3 5032 B9R1.34 Oc1cc(Cl)nc(n1)C 1P027ZZ0 [0,2,0,0,0,0|2,0,0]=4 5033 B9R1.34 Oc1cc(Cl)nc(n1)O 1P009TSM [0,2,0,0,0,0|2,0,0]=4 5034 B9R1.34 Oc1cc(F)cc(c1)Br 1P003JXF [0,2,0,0,0,0|0,0,0]=2 5035 B9R1.34 Oc1cc(F)cc(c1)Cl 1P00292B [0,2,0,0,0,0|0,0,0]=2 5036 B9R1.34 Oc1cc(F)cc(c1)F 1P003J3P [0,2,0,0,0,0|0,0,0]=2 5037 B9R1.34 Oc1cc(F)cc(c1)I 1P00H3IX [0,2,0,0,0,0|0,0,0]=2 5038 B9R1.34 Oc1cc(F)nc(c1)F 1P00AOYF [0,2,0,0,0,0|1,0,0]=3 5039 B9R1.34 Oc1cc(I)cc(c1)I 1P002KWN [0,2,0,0,0,0|0,0,0]=2 5040 B9R1.34 Oc1cc(N)nc(c1)Br 1P01ENA5 [0,2,0,0,0,0|1,0,0]=3 5041 B9R1.34 Oc1cc(N)nc(c1)O 1P0097XM [0,2,0,0,0,0|1,0,0]=3 5042 B9R1.34 Oc1cc(O)cc(c1)Br 1P003N1P [0,2,0,0,0,0|0,0,0]=2 5043 B9R1.34 Oc1cc(O)cc(c1)F 1P00GAPP [0,2,0,0,0,0|0,0,0]=2 5044 B9R1.34 Oc1cc(O)cc(c1)I 1P00EF5H [0,2,0,0,0,0|0,0,0]=2 5045 B9R1.34 Oc1cc(O)cc(c1)O 1P0035Y1 [0,2,0,0,0,0|0,0,0]=2 5046 B9R1.34 Oc1cc(O)cc(c1)O 1P003U7F [0,2,0,0,0,0|0,0,0]=2 5047 B9R1.34 Oc1cc(O)nc(n1)C 1P003I71 [0,2,0,0,0,0|2,0,0]=4 5048 B9R1.34 Oc1cc(O)nc(n1)N 1P01FT0R [0,2,0,0,0,0|2,0,0]=4 5049 B9R1.34 Oc1cc(O)nc(n1)S 1P006CT6 [0,2,0,0,0,0|2,0,0]=4 5050 B9R1.34 Oc1cc(S)cc(c1)Br 1P02810T [0,2,0,0,0,0|0,0,0]=2 5051 B9R1.34 Sc1cc(Cl)cc(c1)Br 1P009K58 [0,2,0,0,0,0|0,1,0]=3 5052 B9R1.34 Sc1cc(Cl)cc(c1)Cl 1P003J2E [0,2,0,0,0,0|0,1,0]=3 5053 B9R1.34 Sc1cc(S)cc(c1)Br 1P0016WZ [0,2,0,0,0,0|0,1,0]=3 5054 B9R1.34 Sc1cc(S)cc(c1)S 1P003DWU [0,2,0,0,0,0|0,1,0]=3 5055 B9R1.34 [O-][n+]1cc(Br)cc(c1)Br 1P007OQU [0,2,0,0,0,0|1,0,1]=4 5056 B9R1.34 [O-][n+]1cc(C)cc(c1)C 1P003J5Y [0,2,0,0,0,0|1,0,1]=4 5057 B9R1.34 [O-][n+]1cc(Cl)cc(c1)Cl 1P007XAP [0,2,0,0,0,0|1,0,1]=4 5058 B7R1.15 OC1=CC(=O)C1=O 1P00CI1X [0,0,1,1,0,0|2,0,0]=4 5059 B7R1.24 C1=C[CH+]C=CC=C1 1P003VQ0 [0,0,1,1,0,0|1,0,0]=3 5060 B9R2.50 c1ccc2c(c1)CC2 1P003OIP [0,1,0,1,0,0|1,0,0]=3 5061 B5R1.1 C1C=CC=C1 1P003OR4 [1,0,0,0,1,0|0,0,1]=3 5062 B5R1.1 [C-]1=CC=CC1 1P003D61 [1,0,0,0,1,0|0,0,2]=4 5063 B5R1.1 [C-]1=CC=CC1 1P003OR0 [1,0,0,0,1,0|0,0,2]=4 5064 B5R1.1 [C-]1=CC=CC1 1P003PMV [1,0,0,0,1,0|0,0,2]=4 5065 B5R1.1 [CH-]1C=CC=C1 1P0006P5 [1,0,0,0,1,0|0,0,1]=3 5066 B5R1.1 [CH-]1C=CC=C1 1P000X50 [1,0,0,0,1,0|0,0,1]=3 5067 B5R1.1 [CH-]1C=CC=C1 1P000X52 [1,0,0,0,1,0|0,0,1]=3 5068 B5R1.1 [CH-]1C=CC=C1 1P000XDC [1,0,0,0,1,0|0,0,1]=3 5069 B5R1.1 [CH-]1C=CC=C1 1P000XSL [1,0,0,0,1,0|0,0,1]=3 5070 B5R1.1 [CH-]1C=CC=C1 1P000XSM [1,0,0,0,1,0|0,0,1]=3 5071 B5R1.1 [CH-]1C=CC=C1 1P000YBD [1,0,0,0,1,0|0,0,1]=3 5072 B5R1.1 [CH-]1C=CC=C1 1P000YSN [1,0,0,0,1,0|0,0,1]=3 5073 B5R1.1 [CH]1C=CC=C1 1P000X4R [1,0,0,0,1,0|0,0,1]=3 5074 B5R1.1 [CH]1C=CC=C1 1P003OQZ [1,0,0,0,1,0|0,0,1]=3 5075 B5R1.1 [CH]1C=CC=C1 1P003PMU [1,0,0,0,1,0|0,0,1]=3 5076 B5R1.1 [CH]1C=CC=C1 1P003PMW [1,0,0,0,1,0|0,0,1]=3 5077 B5R1.1 [nH]1ccnc1 1P00BFOE [1,0,0,0,1,0|2,0,0]=4 5078 B5R1.1 c1ccc[nH]1 1P00360L [1,0,0,0,1,0|1,0,0]=3 5079 B5R1.1 c1cccs1 1P0038GZ [1,0,0,0,1,0|1,0,0]=3 5080 B5R1.1 c1ccn[nH]1 1P002X05 [1,0,0,0,1,0|2,0,0]=4 5081 B5R1.1 c1ccno1 1P002X04 [1,0,0,0,1,0|2,0,0]=4 5082 B5R1.1 c1ccns1 1P002X03 [1,0,0,0,1,0|2,0,0]=4 5083 B5R1.1 c1ncc[nH]1 1P001EPB [1,0,0,0,1,0|2,0,0]=4 5084 B5R1.1 c1ncc[nH]1 1P002X0Y [1,0,0,0,1,0|2,0,0]=4 5085 B5R1.1 c1ncc[nH]1 1P008YHM [1,0,0,0,1,0|2,0,0]=4 5086 B5R1.1 c1ncc[nH]1 1P00FF02 [1,0,0,0,1,0|2,0,0]=4 5087 B5R1.1 c1ncco1 1P002X0R [1,0,0,0,1,0|2,0,0]=4 5088 B5R1.1 c1nccs1 1P002X0Q [1,0,0,0,1,0|2,0,0]=4