0 B6R1.1 C1=CCC=CC1 Amb8513501 [0,0,0,0,0,0|0,0,2]=2 1 B6R1.1 C1=CCCC=C1 Amb6297761 [0,0,0,0,0,0|0,0,2]=2 2 B6R1.1 C1=CCCCC1 Amb6608805 [0,0,0,0,0,0|0,0,4]=4 3 B6R1.1 C1=CCNCC1 Amb2720330 [0,0,0,0,0,0|1,0,3]=4 4 B6R1.1 C1=CCNCC1 Amb3941710 [0,0,0,0,0,0|1,0,3]=4 5 B6R1.1 C1=CCNNC1 Amb24714188 [0,0,0,0,0,0|2,0,2]=4 6 B6R1.1 C1=CCNNC1 Amb32668094 [0,0,0,0,0,0|2,0,2]=4 7 B6R1.1 C1=CCOCC1 Amb16234261 [0,0,0,0,0,0|1,0,3]=4 8 B6R1.1 C1=CCONC1 Amb19651283 [0,0,0,0,0,0|2,0,2]=4 9 B6R1.1 C1=CCONC1 Amb21961474 [0,0,0,0,0,0|2,0,2]=4 10 B6R1.1 C1=CCSCC1 Amb29848083 [0,0,0,0,0,0|1,0,3]=4 11 B6R1.1 C1=CNCCC1 Amb24389577 [0,0,0,0,0,0|1,0,3]=4 12 B6R1.1 C1=CNCCN1 Amb27413386 [0,0,0,0,0,0|2,0,2]=4 13 B6R1.1 C1=CNCN=C1 Amb27644334 [0,0,0,0,0,0|2,0,1]=3 14 B6R1.1 C1=COCCC1 Amb6609004 [0,0,0,0,0,0|1,0,3]=4 15 B6R1.1 C1=COCCN1 Amb27413503 [0,0,0,0,0,0|2,0,2]=4 16 B6R1.1 C1=COCCO1 Amb22043779 [0,0,0,0,0,0|2,0,2]=4 17 B6R1.1 C1=CSC=NO1 Amb25146359 [0,0,0,0,0,0|3,0,0]=3 18 B6R1.1 [c-]1ccccc1 Amb27780724 [0,0,0,0,0,0|0,0,1]=1 19 B6R1.1 c1cc[nH+]cc1 Amb10838355 [0,0,0,0,0,0|1,0,0]=1 20 B6R1.1 c1cc[nH+]cc1 Amb19748292 [0,0,0,0,0,0|1,0,0]=1 21 B6R1.1 c1cc[nH+]cc1 Amb22731658 [0,0,0,0,0,0|1,0,0]=1 22 B6R1.1 c1cc[nH+]cc1 Amb22731943 [0,0,0,0,0,0|1,0,0]=1 23 B6R1.1 c1cc[nH+]cc1 Amb2725623 [0,0,0,0,0,0|1,0,0]=1 24 B6R1.1 c1cc[nH+]cc1 Amb8513536 [0,0,0,0,0,0|1,0,0]=1 25 B6R1.1 c1cc[nH+]cc1 Amb8513800 [0,0,0,0,0,0|1,0,0]=1 26 B6R1.1 c1ccccc1 Amb22054011 [0,0,0,0,0,0|0,0,0]=0 27 B6R1.1 c1ccncc1 Amb22361291 [0,0,0,0,0,0|1,0,0]=1 28 B6R1.1 c1ccncc1 Amb22735749 [0,0,0,0,0,0|1,0,0]=1 29 B6R1.1 c1ccncc1 Amb2610064 [0,0,0,0,0,0|1,0,0]=1 30 B6R1.1 c1ccncc1 Amb33719203 [0,0,0,0,0,0|1,0,0]=1 31 B6R1.1 c1ccncc1 Amb34910815 [0,0,0,0,0,0|1,0,0]=1 32 B6R1.1 c1ccncc1 Amb6366076 [0,0,0,0,0,0|1,0,0]=1 33 B6R1.1 c1ccncc1 Amb8387118 [0,0,0,0,0,0|1,0,0]=1 34 B6R1.1 c1ccncc1 Amb8513315 [0,0,0,0,0,0|1,0,0]=1 35 B6R1.1 c1ccncc1 Amb8513785 [0,0,0,0,0,0|1,0,0]=1 36 B6R1.1 c1ccncc1 Amb8513826 [0,0,0,0,0,0|1,0,0]=1 37 B6R1.1 c1ccncc1 Amb8514615 [0,0,0,0,0,0|1,0,0]=1 38 B6R1.1 c1ccnnc1 Amb22234668 [0,0,0,0,0,0|2,0,0]=2 39 B6R1.1 c1ccnnc1 Amb5720312 [0,0,0,0,0,0|2,0,0]=2 40 B6R1.1 c1cnccn1 Amb2690420 [0,0,0,0,0,0|2,0,0]=2 41 B6R1.1 c1cncnc1 Amb2786776 [0,0,0,0,0,0|2,0,0]=2 42 B6R1.1 c1cnncn1 Amb8470966 [0,0,0,0,0,0|3,0,0]=3 43 B6R1.1 c1cnnnc1 Amb22497604 [0,0,0,0,0,0|3,0,0]=3 44 B6R1.1 c1ncncn1 Amb9825129 [0,0,0,0,0,0|3,0,0]=3 45 B6R1.1 c1nncnn1 Amb22733819 [0,0,0,0,0,0|4,0,0]=4 46 B7R1.3 Brc1ccccc1 Amb2795756 [0,1,0,0,0,0|0,0,0]=1 47 B7R1.3 Brc1ccccn1 Amb535814 [0,1,0,0,0,0|1,0,0]=2 48 B7R1.3 Brc1cccnc1 Amb535815 [0,1,0,0,0,0|1,0,0]=2 49 B7R1.3 Brc1cccnn1 Amb10599679 [0,1,0,0,0,0|2,0,0]=3 50 B7R1.3 Brc1cccnn1 Amb30588506 [0,1,0,0,0,0|2,0,0]=3 51 B7R1.3 Brc1ccncc1 Amb21864762 [0,1,0,0,0,0|1,0,0]=2 52 B7R1.3 Brc1ccncc1 Amb2455980 [0,1,0,0,0,0|1,0,0]=2 53 B7R1.3 Brc1ccncc1 Amb33513273 [0,1,0,0,0,0|1,0,0]=2 54 B7R1.3 Brc1ccncc1 Amb534987 [0,1,0,0,0,0|1,0,0]=2 55 B7R1.3 Brc1ccncn1 Amb10599355 [0,1,0,0,0,0|2,0,0]=3 56 B7R1.3 Brc1ccncn1 Amb19887431 [0,1,0,0,0,0|2,0,0]=3 57 B7R1.3 Brc1ccncn1 Amb20670685 [0,1,0,0,0,0|2,0,0]=3 58 B7R1.3 Brc1ccnnc1 Amb10976038 [0,1,0,0,0,0|2,0,0]=3 59 B7R1.3 Brc1ccnnc1 Amb19929892 [0,1,0,0,0,0|2,0,0]=3 60 B7R1.3 Brc1ccnnc1 Amb20670983 [0,1,0,0,0,0|2,0,0]=3 61 B7R1.3 Brc1ccnnc1 Amb21963548 [0,1,0,0,0,0|2,0,0]=3 62 B7R1.3 Brc1cnccn1 Amb32661567 [0,1,0,0,0,0|2,0,0]=3 63 B7R1.3 Brc1cnccn1 Amb33528247 [0,1,0,0,0,0|2,0,0]=3 64 B7R1.3 Brc1cncnc1 Amb2455810 [0,1,0,0,0,0|2,0,0]=3 65 B7R1.3 Brc1cncnn1 Amb25146644 [0,1,0,0,0,0|3,0,0]=4 66 B7R1.3 Brc1cnnnc1 Amb22498013 [0,1,0,0,0,0|3,0,0]=4 67 B7R1.3 Brc1ncccn1 Amb2455857 [0,1,0,0,0,0|2,0,0]=3 68 B7R1.3 CC1C=CC=CN1 Amb27843995 [0,1,0,0,0,0|1,0,1]=3 69 B7R1.3 C[n+]1ccccc1 Amb1394991 [0,1,0,0,0,0|1,0,0]=2 70 B7R1.3 C[n+]1ccccc1 Amb431211 [0,1,0,0,0,0|1,0,0]=2 71 B7R1.3 Cc1cc[o+]cc1 Amb27592946 [0,1,0,0,0,0|1,0,0]=2 72 B7R1.3 Cc1ccccn1 Amb2447016 [0,1,0,0,0,0|1,0,0]=2 73 B7R1.3 Cc1ccccn1 Amb33872315 [0,1,0,0,0,0|1,0,0]=2 74 B7R1.3 Cc1cccnc1 Amb2447038 [0,1,0,0,0,0|1,0,0]=2 75 B7R1.3 Cc1cccnn1 Amb2455766 [0,1,0,0,0,0|2,0,0]=3 76 B7R1.3 Cc1ccncc1 Amb2610072 [0,1,0,0,0,0|1,0,0]=2 77 B7R1.3 Cc1ccncn1 Amb2447543 [0,1,0,0,0,0|2,0,0]=3 78 B7R1.3 Cc1ccnnc1 Amb2724641 [0,1,0,0,0,0|2,0,0]=3 79 B7R1.3 Cc1cnccn1 Amb2689666 [0,1,0,0,0,0|2,0,0]=3 80 B7R1.3 Cc1cncnc1 Amb2455760 [0,1,0,0,0,0|2,0,0]=3 81 B7R1.3 Cc1ncccn1 Amb2447047 [0,1,0,0,0,0|2,0,0]=3 82 B7R1.3 Clc1ccccc1 Amb2793069 [0,1,0,0,0,0|0,0,0]=1 83 B7R1.3 Clc1ccccn1 Amb3939993 [0,1,0,0,0,0|1,0,0]=2 84 B7R1.3 Clc1cccnc1 Amb8387117 [0,1,0,0,0,0|1,0,0]=2 85 B7R1.3 Clc1cccnn1 Amb19894724 [0,1,0,0,0,0|2,0,0]=3 86 B7R1.3 Clc1cccnn1 Amb3319392 [0,1,0,0,0,0|2,0,0]=3 87 B7R1.3 Clc1ccncc1 Amb22489495 [0,1,0,0,0,0|1,0,0]=2 88 B7R1.3 Clc1ccncc1 Amb4476999 [0,1,0,0,0,0|1,0,0]=2 89 B7R1.3 Clc1ccncc1 Amb6306685 [0,1,0,0,0,0|1,0,0]=2 90 B7R1.3 Clc1ccncn1 Amb19944555 [0,1,0,0,0,0|2,0,0]=3 91 B7R1.3 Clc1ccncn1 Amb22494628 [0,1,0,0,0,0|2,0,0]=3 92 B7R1.3 Clc1ccncn1 Amb5846632 [0,1,0,0,0,0|2,0,0]=3 93 B7R1.3 Clc1ccnnc1 Amb22235621 [0,1,0,0,0,0|2,0,0]=3 94 B7R1.3 Clc1cnccn1 Amb2686448 [0,1,0,0,0,0|2,0,0]=3 95 B7R1.3 Clc1cncnc1 Amb6307278 [0,1,0,0,0,0|2,0,0]=3 96 B7R1.3 Clc1cnncn1 Amb27850848 [0,1,0,0,0,0|3,0,0]=4 97 B7R1.3 Clc1ncccn1 Amb534989 [0,1,0,0,0,0|2,0,0]=3 98 B7R1.3 F[n+]1ccccc1 Amb8515415 [0,1,0,0,0,0|1,0,0]=2 99 B7R1.3 Fc1ccccc1 Amb2688018 [0,1,0,0,0,0|0,0,0]=1 100 B7R1.3 Fc1ccccn1 Amb1159303 [0,1,0,0,0,0|1,0,0]=2 101 B7R1.3 Fc1cccnc1 Amb2688409 [0,1,0,0,0,0|1,0,0]=2 102 B7R1.3 Fc1cccnn1 Amb26052528 [0,1,0,0,0,0|2,0,0]=3 103 B7R1.3 Fc1ccncc1 Amb8393040 [0,1,0,0,0,0|1,0,0]=2 104 B7R1.3 Fc1ccncc1 Amb8396932 [0,1,0,0,0,0|1,0,0]=2 105 B7R1.3 Fc1ccncn1 Amb20242179 [0,1,0,0,0,0|2,0,0]=3 106 B7R1.3 Fc1cnccn1 Amb16185867 [0,1,0,0,0,0|2,0,0]=3 107 B7R1.3 Fc1cncnc1 Amb8390615 [0,1,0,0,0,0|2,0,0]=3 108 B7R1.3 Fc1ncccn1 Amb10839452 [0,1,0,0,0,0|2,0,0]=3 109 B7R1.3 Ic1ccccc1 Amb22491511 [0,1,0,0,0,0|0,0,0]=1 110 B7R1.3 Ic1ccccc1 Amb2688833 [0,1,0,0,0,0|0,0,0]=1 111 B7R1.3 Ic1ccccn1 Amb4605859 [0,1,0,0,0,0|1,0,0]=2 112 B7R1.3 Ic1cccnc1 Amb2610015 [0,1,0,0,0,0|1,0,0]=2 113 B7R1.3 Ic1cccnn1 Amb22749745 [0,1,0,0,0,0|2,0,0]=3 114 B7R1.3 Ic1ccncc1 Amb534992 [0,1,0,0,0,0|1,0,0]=2 115 B7R1.3 Ic1ccncn1 Amb20671489 [0,1,0,0,0,0|2,0,0]=3 116 B7R1.3 Ic1ccnnc1 Amb26360619 [0,1,0,0,0,0|2,0,0]=3 117 B7R1.3 Ic1cnccn1 Amb2447110 [0,1,0,0,0,0|2,0,0]=3 118 B7R1.3 Ic1cncnc1 Amb2609465 [0,1,0,0,0,0|2,0,0]=3 119 B7R1.3 Ic1ncccn1 Amb15691086 [0,1,0,0,0,0|2,0,0]=3 120 B7R1.3 N=C1C=CNC=N1 Amb33719075 [0,1,0,0,0,0|2,0,0]=3 121 B7R1.3 NC1=CC=CCN1 Amb27391599 [0,1,0,0,0,0|1,0,1]=3 122 B7R1.3 NC1=CC=CCO1 Amb22167473 [0,1,0,0,0,0|1,0,1]=3 123 B7R1.3 NC1=CNC=CN1 Amb27844568 [0,1,0,0,0,0|2,0,0]=3 124 B7R1.3 NC1=CNCC=C1 Amb25116751 [0,1,0,0,0,0|1,0,1]=3 125 B7R1.3 NC1N=CC=CS1 Amb27850553 [0,1,0,0,0,0|2,0,1]=4 126 B7R1.3 N[n+]1ccccc1 Amb1147477 [0,1,0,0,0,0|1,0,0]=2 127 B7R1.3 N[n+]1ccncc1 Amb25258571 [0,1,0,0,0,0|2,0,0]=3 128 B7R1.3 Nc1ccccc1 Amb1935238 [0,1,0,0,0,0|0,0,0]=1 129 B7R1.3 Nc1ccccc1 Amb33716473 [0,1,0,0,0,0|0,0,0]=1 130 B7R1.3 Nc1ccccc1 Amb6383295 [0,1,0,0,0,0|0,0,0]=1 131 B7R1.3 Nc1ccccc1 Amb6609036 [0,1,0,0,0,0|0,0,0]=1 132 B7R1.3 Nc1ccccc1 Amb8513537 [0,1,0,0,0,0|0,0,0]=1 133 B7R1.3 Nc1ccccc1 Amb8516488 [0,1,0,0,0,0|0,0,0]=1 134 B7R1.3 Nc1ccccn1 Amb22284355 [0,1,0,0,0,0|1,0,0]=2 135 B7R1.3 Nc1ccccn1 Amb6335265 [0,1,0,0,0,0|1,0,0]=2 136 B7R1.3 Nc1cccnc1 Amb2609930 [0,1,0,0,0,0|1,0,0]=2 137 B7R1.3 Nc1cccnn1 Amb22489517 [0,1,0,0,0,0|2,0,0]=3 138 B7R1.3 Nc1cccnn1 Amb5751229 [0,1,0,0,0,0|2,0,0]=3 139 B7R1.3 Nc1ccncc1 Amb1933715 [0,1,0,0,0,0|1,0,0]=2 140 B7R1.3 Nc1ccncc1 Amb24066203 [0,1,0,0,0,0|1,0,0]=2 141 B7R1.3 Nc1ccncn1 Amb10070370 [0,1,0,0,0,0|2,0,0]=3 142 B7R1.3 Nc1ccncn1 Amb2684180 [0,1,0,0,0,0|2,0,0]=3 143 B7R1.3 Nc1ccnnc1 Amb23439148 [0,1,0,0,0,0|2,0,0]=3 144 B7R1.3 Nc1ccnnc1 Amb33544447 [0,1,0,0,0,0|2,0,0]=3 145 B7R1.3 Nc1cnccn1 Amb1207361 [0,1,0,0,0,0|2,0,0]=3 146 B7R1.3 Nc1cncnc1 Amb5751337 [0,1,0,0,0,0|2,0,0]=3 147 B7R1.3 Nc1cncnn1 Amb18200315 [0,1,0,0,0,0|3,0,0]=4 148 B7R1.3 Nc1cnncn1 Amb20669555 [0,1,0,0,0,0|3,0,0]=4 149 B7R1.3 Nc1ncccn1 Amb1950559 [0,1,0,0,0,0|2,0,0]=3 150 B7R1.3 Nc1nccnn1 Amb579151 [0,1,0,0,0,0|3,0,0]=4 151 B7R1.3 Nc1ncncn1 Amb2720384 [0,1,0,0,0,0|3,0,0]=4 152 B7R1.3 O=C1C=CC=CN1 Amb18039970 [0,1,0,0,0,0|1,0,0]=2 153 B7R1.3 O=C1C=CC=CO1 Amb21951679 [0,1,0,0,0,0|1,0,0]=2 154 B7R1.3 O=C1C=CC=NN1 Amb19372847 [0,1,0,0,0,0|2,0,0]=3 155 B7R1.3 O=C1C=CCC=N1 Amb24076140 [0,1,0,0,0,0|1,0,1]=3 156 B7R1.3 O=C1C=CCCC1 Amb17843126 [0,1,0,0,0,0|0,0,3]=4 157 B7R1.3 O=C1C=CCCN1 Amb22001783 [0,1,0,0,0,0|1,0,2]=4 158 B7R1.3 O=C1C=CCCO1 Amb15693457 [0,1,0,0,0,0|1,0,2]=4 159 B7R1.3 O=C1C=CCOC1 Amb22234519 [0,1,0,0,0,0|1,0,2]=4 160 B7R1.3 O=C1C=CCSC1 Amb26544956 [0,1,0,0,0,0|1,0,2]=4 161 B7R1.3 O=C1C=CN=CN1 Amb19748726 [0,1,0,0,0,0|2,0,0]=3 162 B7R1.3 O=C1C=CNC=C1 Amb18039969 [0,1,0,0,0,0|1,0,0]=2 163 B7R1.3 O=C1C=CNC=N1 Amb20239372 [0,1,0,0,0,0|2,0,0]=3 164 B7R1.3 O=C1C=CNCC1 Amb2700614 [0,1,0,0,0,0|1,0,2]=4 165 B7R1.3 O=C1C=CNN=C1 Amb22235288 [0,1,0,0,0,0|2,0,0]=3 166 B7R1.3 O=C1C=COCC1 Amb22000873 [0,1,0,0,0,0|1,0,2]=4 167 B7R1.3 O=C1C=CSC=C1 Amb22364507 [0,1,0,0,0,0|1,0,0]=2 168 B7R1.3 O=C1C=CSCC1 Amb25375022 [0,1,0,0,0,0|1,0,2]=4 169 B7R1.3 O=C1C=NC=CN1 Amb22406482 [0,1,0,0,0,0|2,0,0]=3 170 B7R1.3 O=C1C=NC=NC1 Amb24093715 [0,1,0,0,0,0|2,0,1]=4 171 B7R1.3 O=C1CC=NC=N1 Amb10601894 [0,1,0,0,0,0|2,0,1]=4 172 B7R1.3 O=C1CCC=CN1 Amb26365285 [0,1,0,0,0,0|1,0,2]=4 173 B7R1.3 O=C1CSC=CN1 Amb2386683 [0,1,0,0,0,0|2,0,1]=4 174 B7R1.3 O=C1N=CC=CN1 Amb19261228 [0,1,0,0,0,0|2,0,0]=3 175 B7R1.3 O=C1N=CC=CN1 Amb20241236 [0,1,0,0,0,0|2,0,0]=3 176 B7R1.3 O=C1N=CC=CN1 Amb22489504 [0,1,0,0,0,0|2,0,0]=3 177 B7R1.3 O=c1ccocc1 Amb22233061 [0,1,0,0,0,0|1,0,0]=2 178 B7R1.3 O=n1ccccc1 Amb20622007 [0,1,0,0,0,0|1,0,0]=2 179 B7R1.3 Oc1ccccc1 Amb2793000 [0,1,0,0,0,0|0,0,0]=1 180 B7R1.3 Oc1ccccc1 Amb34916329 [0,1,0,0,0,0|0,0,0]=1 181 B7R1.3 Oc1ccccn1 Amb2609925 [0,1,0,0,0,0|1,0,0]=2 182 B7R1.3 Oc1ccccn1 Amb33716976 [0,1,0,0,0,0|1,0,0]=2 183 B7R1.3 Oc1cccnc1 Amb534212 [0,1,0,0,0,0|1,0,0]=2 184 B7R1.3 Oc1cccnn1 Amb2610009 [0,1,0,0,0,0|2,0,0]=3 185 B7R1.3 Oc1ccncc1 Amb2610065 [0,1,0,0,0,0|1,0,0]=2 186 B7R1.3 Oc1ccncn1 Amb2591540 [0,1,0,0,0,0|2,0,0]=3 187 B7R1.3 Oc1ccnnc1 Amb10602745 [0,1,0,0,0,0|2,0,0]=3 188 B7R1.3 Oc1ccnnc1 Amb22640973 [0,1,0,0,0,0|2,0,0]=3 189 B7R1.3 Oc1ccnnc1 Amb24053159 [0,1,0,0,0,0|2,0,0]=3 190 B7R1.3 Oc1cnccn1 Amb8438914 [0,1,0,0,0,0|2,0,0]=3 191 B7R1.3 Oc1cncnc1 Amb22500888 [0,1,0,0,0,0|2,0,0]=3 192 B7R1.3 Oc1cncnc1 Amb8397263 [0,1,0,0,0,0|2,0,0]=3 193 B7R1.3 Oc1cnncn1 Amb23440657 [0,1,0,0,0,0|3,0,0]=4 194 B7R1.3 Oc1ncccn1 Amb1106427 [0,1,0,0,0,0|2,0,0]=3 195 B7R1.3 Oc1ncccn1 Amb6297230 [0,1,0,0,0,0|2,0,0]=3 196 B7R1.3 Oc1ncccn1 Amb8396065 [0,1,0,0,0,0|2,0,0]=3 197 B7R1.3 Oc1nccnn1 Amb26633517 [0,1,0,0,0,0|3,0,0]=4 198 B7R1.3 S=C1C=CC=CN1 Amb20246884 [0,1,0,0,0,0|1,0,0]=2 199 B7R1.3 S=C1C=CN=CC1 Amb24062778 [0,1,0,0,0,0|1,0,1]=3 200 B7R1.3 S=C1C=CNC=C1 Amb20093140 [0,1,0,0,0,0|1,0,0]=2 201 B7R1.3 S=C1C=CNC=N1 Amb19414436 [0,1,0,0,0,0|2,0,0]=3 202 B7R1.3 S=C1C=COC=C1 Amb26446862 [0,1,0,0,0,0|1,0,0]=2 203 B7R1.3 S=C1C=CSC=C1 Amb22347568 [0,1,0,0,0,0|1,0,0]=2 204 B7R1.3 S=C1C=NC=CN1 Amb18545446 [0,1,0,0,0,0|2,0,0]=3 205 B7R1.3 S=C1N=CC=CN1 Amb18545462 [0,1,0,0,0,0|2,0,0]=3 206 B7R1.3 Sc1ccccc1 Amb2793090 [0,1,0,0,0,0|0,0,0]=1 207 B7R1.3 Sc1ccccn1 Amb2689072 [0,1,0,0,0,0|1,0,0]=2 208 B7R1.3 Sc1cccnc1 Amb13887011 [0,1,0,0,0,0|1,0,0]=2 209 B7R1.3 Sc1cccnn1 Amb5751230 [0,1,0,0,0,0|2,0,0]=3 210 B7R1.3 Sc1ccncc1 Amb6271419 [0,1,0,0,0,0|1,0,0]=2 211 B7R1.3 Sc1ccncn1 Amb5716288 [0,1,0,0,0,0|2,0,0]=3 212 B7R1.3 Sc1ccnnc1 Amb23440857 [0,1,0,0,0,0|2,0,0]=3 213 B7R1.3 Sc1cnccn1 Amb6662686 [0,1,0,0,0,0|2,0,0]=3 214 B7R1.3 Sc1cncnc1 Amb24054542 [0,1,0,0,0,0|2,0,0]=3 215 B7R1.3 Sc1ncccn1 Amb1651281 [0,1,0,0,0,0|2,0,0]=3 216 B7R1.3 Sc1nccnn1 Amb32416081 [0,1,0,0,0,0|3,0,0]=4 217 B7R1.3 [BH3-][n+]1ccccc1 Amb19889385 [0,1,0,0,0,0|1,0,0]=2 218 B7R1.3 [Hg+]c1ccccc1 Amb22054115 [0,1,0,0,0,0|0,0,0]=1 219 B7R1.3 [Li]c1ccccc1 Amb8516466 [0,1,0,0,0,0|0,0,0]=1 220 B7R1.3 [Mg+]c1ccccc1 Amb22045898 [0,1,0,0,0,0|0,0,0]=1 221 B7R1.3 [O-][n+]1ccccc1 Amb2609924 [0,1,0,0,0,0|1,0,0]=2 222 B7R1.3 [O-][n+]1ccccn1 Amb10573263 [0,1,0,0,0,0|2,0,0]=3 223 B7R1.3 [O-][n+]1ccncc1 Amb10552402 [0,1,0,0,0,0|2,0,0]=3 224 B7R1.3 [O-]c1ccc[nH+]c1 Amb22492605 [0,1,0,0,0,0|1,0,0]=2 225 B7R1.3 [O-]c1ccccc1 Amb20240913 [0,1,0,0,0,0|0,0,0]=1 226 B7R1.3 [O-]c1ccccc1 Amb31292462 [0,1,0,0,0,0|0,0,0]=1 227 B7R1.3 [O-]c1cccnc1 Amb8513337 [0,1,0,0,0,0|1,0,0]=2 228 B7R1.3 [S-][n+]1ccccc1 Amb26535921 [0,1,0,0,0,0|1,0,0]=2 229 B7R1.3 [S-]c1ccccc1 Amb22360782 [0,1,0,0,0,0|0,0,0]=1 230 B7R1.3 [SH2+]c1ccccc1 Amb24524316 [0,1,0,0,0,0|0,0,0]=1 231 B7R1.3 [SeH]c1ccccc1 Amb8513211 [0,1,0,0,0,0|0,0,0]=1 232 B7R1.3 [SiH3]c1ccccc1 Amb2690322 [0,1,0,0,0,0|0,0,0]=1 233 B5R0.2 C#C\C=C\C=O Amb17593013 [0,0,1,0,0,0|1,0,2]=4 234 B5R0.2 C=C=CCC=O Amb27234481 [0,0,1,0,0,0|1,0,2]=4 235 B5R0.2 C=CC#CC=C Amb24671264 [0,0,1,0,0,0|0,0,2]=3 236 B5R0.2 C=CC#CC=O Amb28284761 [0,0,1,0,0,0|1,0,2]=4 237 B5R0.2 C=CCCC=C Amb8513514 [0,0,1,0,0,0|0,0,2]=3 238 B5R0.2 C=CCCC=O Amb4358616 [0,0,1,0,0,0|1,0,2]=4 239 B5R0.2 C=CCNC=C Amb28134893 [0,0,1,0,0,0|1,0,1]=3 240 B5R0.2 C=CCNC=O Amb2781857 [0,0,1,0,0,0|2,0,1]=4 241 B5R0.2 C=CCOC=C Amb17933943 [0,0,1,0,0,0|1,0,1]=3 242 B5R0.2 C=CC\C=C/C Amb26426294 [0,0,1,0,0,0|0,0,2]=3 243 B5R0.2 C=CSSC=C Amb27776219 [0,0,1,0,0,0|2,0,0]=3 244 B5R0.2 C=C\C=C\C#N Amb17593012 [0,0,1,0,0,0|1,0,1]=3 245 B5R0.2 C=C\C=C\C=C Amb17939040 [0,0,1,0,0,0|0,0,0]=1 246 B5R0.2 C=C\C=C\C=O Amb26369847 [0,0,1,0,0,0|1,0,0]=2 247 B5R0.2 C=C\C=C\CBr Amb24350542 [0,0,1,0,0,0|1,0,1]=3 248 B5R0.2 C=C\C=C\CC Amb8513434 [0,0,1,0,0,0|0,0,2]=3 249 B5R0.2 C=C\C=C\CCl Amb24401492 [0,0,1,0,0,0|1,0,1]=3 250 B5R0.2 C=C\C=C\CN Amb26011188 [0,0,1,0,0,0|1,0,1]=3 251 B5R0.2 C=C\C=C\CN Amb32824809 [0,0,1,0,0,0|1,0,1]=3 252 B5R0.2 CC\C=C\C=O Amb33986391 [0,0,1,0,0,0|1,0,2]=4 253 B5R0.2 CN\C=C\C=O Amb24564349 [0,0,1,0,0,0|2,0,1]=4 254 B5R0.2 CO\C=C/C=O Amb28049941 [0,0,1,0,0,0|2,0,1]=4 255 B5R0.2 CO\C=C\C=O Amb26873964 [0,0,1,0,0,0|2,0,1]=4 256 B5R0.2 C\C=C/C=C/C Amb26318493 [0,0,1,0,0,0|0,0,2]=3 257 B5R0.2 C\C=C\C=C\Br Amb27791828 [0,0,1,0,0,0|1,0,1]=3 258 B5R0.2 C\C=C\C=C\C Amb27622458 [0,0,1,0,0,0|0,0,2]=3 259 B5R0.2 C\C=C\CC=O Amb26655030 [0,0,1,0,0,0|1,0,2]=4 260 B5R0.2 O=CC\C=C\Cl Amb24571938 [0,0,1,0,0,0|2,0,1]=4 261 B5R0.2 O=C\C=C/C=O Amb28146767 [0,0,1,0,0,0|2,0,0]=3 262 B5R0.2 O=C\C=C\C=O Amb17593019 [0,0,1,0,0,0|2,0,0]=3 263 B5R0.2 O=C\C=C\CCl Amb18122401 [0,0,1,0,0,0|2,0,1]=4 264 B5R0.2 O=C\C=C\CF Amb33475269 [0,0,1,0,0,0|2,0,1]=4 265 B5R0.2 O=C\C=C\CO Amb24356008 [0,0,1,0,0,0|2,0,1]=4 266 B5R0.2 O\C=C\C=N\O Amb27831482 [0,0,1,0,0,0|3,0,0]=4 267 B5R1.1 C1=CCCC1 Amb6608970 [0,0,0,0,1,0|0,0,3]=4 268 B5R1.1 C1=CCNC1 Amb2695003 [0,0,0,0,1,0|1,0,2]=4 269 B5R1.1 C1=CCNC1 Amb8630078 [0,0,0,0,1,0|1,0,2]=4 270 B5R1.1 C1=CCOC1 Amb7809243 [0,0,0,0,1,0|1,0,2]=4 271 B5R1.1 C1=CCSC1 Amb33544213 [0,0,0,0,1,0|1,0,2]=4 272 B5R1.1 C1=CNCC1 Amb24476832 [0,0,0,0,1,0|1,0,2]=4 273 B5R1.1 C1=COCC1 Amb6609005 [0,0,0,0,1,0|1,0,2]=4 274 B5R1.1 C1=COCN1 Amb20242493 [0,0,0,0,1,0|2,0,1]=4 275 B5R1.1 C1=CSCC1 Amb24065325 [0,0,0,0,1,0|1,0,2]=4 276 B5R1.1 C1=CSSC1 Amb27437397 [0,0,0,0,1,0|2,0,1]=4 277 B5R1.1 C1=C[CH-]C=C1 Amb8517522 [0,0,0,0,1,0|0,0,1]=2 278 B5R1.1 [C-]1=CC=CC1 Amb22231445 [0,0,0,0,1,0|0,0,2]=3 279 B5R1.1 c1ccoc1 Amb6608834 [0,0,0,0,1,0|1,0,0]=2 280 B5R1.1 c1ccsc1 Amb2694672 [0,0,0,0,1,0|1,0,0]=2 281 B5R1.1 c1cnoc1 Amb2694985 [0,0,0,0,1,0|2,0,0]=3 282 B5R1.1 c1cnon1 Amb25024407 [0,0,0,0,1,0|3,0,0]=4 283 B5R1.1 c1cnsc1 Amb1090456 [0,0,0,0,1,0|2,0,0]=3 284 B5R1.1 c1cocn1 Amb2608869 [0,0,0,0,1,0|2,0,0]=3 285 B5R1.1 c1cscn1 Amb2690588 [0,0,0,0,1,0|2,0,0]=3 286 B5R1.1 c1nnco1 Amb10552366 [0,0,0,0,1,0|3,0,0]=4 287 B5R1.1 c1nncs1 Amb25026010 [0,0,0,0,1,0|3,0,0]=4 288 B7R1.24 C1=CC=CCC=C1 Amb6609003 [0,0,0,0,0,1|0,0,0]=1 289 B7R1.24 C1=CCCC=CC1 Amb22365118 [0,0,0,0,0,1|0,0,2]=3 290 B7R1.24 C1=CCCCC=C1 Amb22002708 [0,0,0,0,0,1|0,0,2]=3 291 B7R1.24 C1=CNC=CN=C1 Amb27595980 [0,0,0,0,0,1|1,0,0]=2 292 B7R1.24 C1=CNCCN=C1 Amb26896446 [0,0,0,0,0,1|1,0,2]=4 293 B4R0.2 C=CCC=C Amb8513286 [1,0,1,0,0,0|0,0,1]=3 294 B4R0.2 C=CCC=O Amb25058716 [1,0,1,0,0,0|1,0,1]=4 295 B4R0.2 C=CNC=O Amb10844823 [1,0,1,0,0,0|2,0,0]=4 296 B4R0.2 C=COC=C Amb22733417 [1,0,1,0,0,0|1,0,0]=3 297 B4R0.2 C=COC=O Amb22734253 [1,0,1,0,0,0|2,0,0]=4 298 B4R0.2 C=C\C=C/C Amb24477227 [1,0,1,0,0,0|0,0,1]=3 299 B4R0.2 C=C\C=C\Br Amb26047680 [1,0,1,0,0,0|1,0,0]=3 300 B4R0.2 C=C\C=C\C Amb17772326 [1,0,1,0,0,0|0,0,1]=3 301 B4R0.2 C=C\C=C\Cl Amb26602085 [1,0,1,0,0,0|1,0,0]=3 302 B4R0.2 C=C\C=N\O Amb25912911 [1,0,1,0,0,0|2,0,0]=4 303 B4R0.2 C\C=C\C=O Amb6891937 [1,0,1,0,0,0|1,0,1]=4 304 B4R0.2 N\C=C/C=O Amb25246630 [1,0,1,0,0,0|2,0,0]=4 305 B4R0.2 N\C=C\C=O Amb33946746 [1,0,1,0,0,0|2,0,0]=4 306 B4R0.2 O=C\C=C/Br Amb27876427 [1,0,1,0,0,0|2,0,0]=4 307 B4R0.2 O=C\C=C/I Amb27863578 [1,0,1,0,0,0|2,0,0]=4 308 B4R0.2 O=C\C=C\Cl Amb17593041 [1,0,1,0,0,0|2,0,0]=4 309 B6R0.1 C=C=CC(=O)C=C Amb28200674 [0,1,1,0,0,0|0,0,1]=3 310 B6R0.1 C=C=CC(O)C=C Amb28074635 [0,1,1,0,0,0|0,0,2]=4 311 B6R0.1 C=CC(=O)\C=C\Cl Amb27233658 [0,1,1,0,0,0|1,0,0]=3 312 B6R0.1 C=CCC(=C)C=O Amb18120415 [0,1,1,0,0,0|1,0,1]=4 313 B6R0.1 C=CCC(=O)C=C Amb27164626 [0,1,1,0,0,0|0,0,1]=3 314 B6R0.1 C=CCC(C)C=C Amb25705690 [0,1,1,0,0,0|0,0,2]=4 315 B6R0.1 C=CCC(Cl)C=C Amb25115865 [0,1,1,0,0,0|0,0,2]=4 316 B6R0.1 C=CCC(O)C=C Amb8513481 [0,1,1,0,0,0|0,0,2]=4 317 B6R0.1 C=CC[C@@H](N)C=C Amb27213303 [0,1,1,0,0,0|0,0,2]=4 318 B6R0.1 C=CC[C@@H](O)C=C Amb27636288 [0,1,1,0,0,0|0,0,2]=4 319 B6R0.1 C=CC[C@H](N)C=C Amb28313731 [0,1,1,0,0,0|0,0,2]=4 320 B6R0.1 C=CC\C(C)=C\C Amb24479822 [0,1,1,0,0,0|0,0,2]=4 321 B6R0.1 C=CNC(=O)C=C Amb27848738 [0,1,1,0,0,0|1,0,0]=3 322 B6R0.1 C=COC(=O)C=C Amb22231745 [0,1,1,0,0,0|1,0,0]=3 323 B6R0.1 C=C\C(Br)=C/C=O Amb28052705 [0,1,1,0,0,0|1,0,0]=3 324 B6R0.1 C=C\C(Br)=C/CCl Amb28118478 [0,1,1,0,0,0|1,0,1]=4 325 B6R0.1 C=C\C(C)=C/C=O Amb18638879 [0,1,1,0,0,0|1,0,0]=3 326 B6R0.1 C=C\C(C)=C/CC Amb27493400 [0,1,1,0,0,0|0,0,2]=4 327 B6R0.1 C=C\C(C)=C/CCl Amb25025997 [0,1,1,0,0,0|1,0,1]=4 328 B6R0.1 C=C\C=C(/C)CBr Amb27634848 [0,1,1,0,0,0|1,0,1]=4 329 B6R0.1 C=C\C=C(/C)CO Amb17843900 [0,1,1,0,0,0|1,0,1]=4 330 B6R0.1 C=C\C=C(/Cl)C=O Amb27797386 [0,1,1,0,0,0|1,0,0]=3 331 B6R0.1 C=C\C=C(\Br)C=O Amb18126250 [0,1,1,0,0,0|1,0,0]=3 332 B6R0.1 C=C\C=C(\F)CCl Amb27236794 [0,1,1,0,0,0|1,0,1]=4 333 B6R0.1 C\C(C=O)=C/C=O Amb27597073 [0,1,1,0,0,0|2,0,0]=4 334 B6R0.1 C\C=C/C(Br)=C/Cl Amb27396622 [0,1,1,0,0,0|1,0,1]=4 335 B6R0.1 C\C=C/C(Cl)=C\Br Amb27407128 [0,1,1,0,0,0|1,0,1]=4 336 B6R0.1 C\C=C\C(=O)C=O Amb27838207 [0,1,1,0,0,0|1,0,1]=4 337 B6R0.1 C\C=C\C(Br)=C\Cl Amb28248126 [0,1,1,0,0,0|1,0,1]=4 338 B6R0.1 C\C=C\C(C)=C\Cl Amb27640596 [0,1,1,0,0,0|1,0,1]=4 339 B6R0.1 O=C\C=C(/Br)C=O Amb27169466 [0,1,1,0,0,0|2,0,0]=4 340 B6R0.4 C=C(C)\C=C\C=O Amb18120435 [0,1,1,0,0,0|1,0,0]=3 341 B6R0.4 C=C(C)\C=C\CCl Amb25991091 [0,1,1,0,0,0|1,0,1]=4 342 B6R0.4 C=C(C)\C=C\CN Amb33199533 [0,1,1,0,0,0|1,0,1]=4 343 B6R0.4 C=C(C)\C=C\CO Amb33473880 [0,1,1,0,0,0|1,0,1]=4 344 B6R0.4 C=C(F)\C=C\CCl Amb28363835 [0,1,1,0,0,0|1,0,1]=4 345 B6R0.4 C=CCCC(=C)C Amb22228883 [0,1,1,0,0,0|0,0,2]=4 346 B6R0.4 C=COCC(=C)C Amb26873422 [0,1,1,0,0,0|1,0,1]=4 347 B6R0.4 C=C\C=C/C(C)=O Amb27165543 [0,1,1,0,0,0|0,0,1]=3 348 B6R0.4 C=C\C=C\C(=O)Cl Amb26530329 [0,1,1,0,0,0|1,0,0]=3 349 B6R0.4 C=C\C=C\C(C)Br Amb27392285 [0,1,1,0,0,0|0,0,2]=4 350 B6R0.4 C=C\C=C\C(C)C Amb27185806 [0,1,1,0,0,0|0,0,2]=4 351 B6R0.4 CC(=O)\C=C/C=O Amb27424884 [0,1,1,0,0,0|1,0,1]=4 352 B6R0.4 CC(C)=C\C=C\Br Amb28244792 [0,1,1,0,0,0|1,0,1]=4 353 B6R0.4 CC(C)=C\C=C\Cl Amb27760419 [0,1,1,0,0,0|1,0,1]=4 354 B6R0.4 O=C\C=C/C(=O)O Amb26023446 [0,1,1,0,0,0|2,0,0]=4 355 B6R0.6 C=C=C\C=C\C#N Amb17593042 [0,1,1,0,0,0|0,0,2]=4 356 B6R0.6 C=CCCCC=C Amb22227760 [0,1,1,0,0,0|0,0,2]=4 357 B6R0.6 C=CCC\C=C\C Amb22734684 [0,1,1,0,0,0|0,0,2]=4 358 B6R0.6 C=CCNCC=C Amb3940050 [0,1,1,0,0,0|0,0,2]=4 359 B6R0.6 C=CCOCC=C Amb8515934 [0,1,1,0,0,0|0,0,2]=4 360 B6R0.6 C=CCSCC=C Amb8393147 [0,1,1,0,0,0|0,0,2]=4 361 B6R0.6 C=COCOC=C Amb27963528 [0,1,1,0,0,0|1,0,1]=4 362 B6R0.6 C=CS\C=C\CO Amb27219812 [0,1,1,0,0,0|1,0,1]=4 363 B6R0.6 C=C\C=C\C=C\C Amb27627431 [0,1,1,0,0,0|0,0,0]=2 364 B6R0.6 C=C\C=C\C=C\Cl Amb27656821 [0,1,1,0,0,0|0,0,0]=2 365 B6R0.6 C=C\C=C\CCBr Amb32679337 [0,1,1,0,0,0|0,0,2]=4 366 B6R0.6 C=C\C=C\CCC Amb33171502 [0,1,1,0,0,0|0,0,2]=4 367 B6R0.6 C=C\C=C\CCN Amb18639048 [0,1,1,0,0,0|0,0,2]=4 368 B6R0.6 C=C\C=C\CCN Amb32679368 [0,1,1,0,0,0|0,0,2]=4 369 B6R0.6 C=C\C=C\CCO Amb34916666 [0,1,1,0,0,0|0,0,2]=4 370 B6R0.6 C=C\C=C\CNC Amb25244153 [0,1,1,0,0,0|0,0,2]=4 371 B6R0.6 CC\C=C\C=C/Br Amb27392254 [0,1,1,0,0,0|0,0,2]=4 372 B6R0.6 CC\C=C\C=C\Br Amb27233492 [0,1,1,0,0,0|0,0,2]=4 373 B6R0.6 CO\C=C\C=C/Cl Amb27863084 [0,1,1,0,0,0|1,0,1]=4 374 B6R0.6 C\C=C\C=C\C#N Amb2720975 [0,1,1,0,0,0|0,0,2]=4 375 B6R0.6 C\C=C\C=C\C=O Amb33986154 [0,1,1,0,0,0|0,0,1]=3 376 B6R0.6 C\C=C\C=C\CBr Amb27433479 [0,1,1,0,0,0|0,0,2]=4 377 B6R0.6 C\C=C\C=C\CCl Amb32652238 [0,1,1,0,0,0|0,0,2]=4 378 B6R0.6 C\C=C\C=C\CN Amb18639062 [0,1,1,0,0,0|0,0,2]=4 379 B6R0.6 C\C=C\C=C\CN Amb24117256 [0,1,1,0,0,0|0,0,2]=4 380 B6R0.6 C\C=C\C=C\CO Amb27848287 [0,1,1,0,0,0|0,0,2]=4 381 B6R0.6 C\C=C\S\C=C\C Amb27210562 [0,1,1,0,0,0|0,0,2]=4 382 B6R0.6 Cl\C=C\S\C=C\Cl Amb28343062 [0,1,1,0,0,0|2,0,0]=4 383 B6R0.6 N\C=C/C=C/C=O Amb27838284 [0,1,1,0,0,0|1,0,0]=3 384 B6R0.6 N\C=C\C=C\C=O Amb27873733 [0,1,1,0,0,0|1,0,0]=3 385 B6R0.6 O=C=C\C=C/C=O Amb28128301 [0,1,1,0,0,0|1,0,1]=4 386 B6R0.6 O=C\C=C/C=C\S Amb27166146 [0,1,1,0,0,0|1,0,0]=3 387 B6R0.6 O=C\C=C/CC=O Amb28050289 [0,1,1,0,0,0|1,0,1]=4 388 B6R0.6 O=C\C=C\C=C\Br Amb16233577 [0,1,1,0,0,0|1,0,0]=3 389 B6R0.6 O=C\C=C\C=C\Cl Amb27760447 [0,1,1,0,0,0|1,0,0]=3 390 B6R0.6 O=C\C=C\C=C\O Amb27646525 [0,1,1,0,0,0|1,0,0]=3 391 B6R0.6 O=C\C=C\C=C\S Amb28051864 [0,1,1,0,0,0|1,0,0]=3 392 B6R0.6 O=C\C=C\CC=O Amb17593064 [0,1,1,0,0,0|1,0,1]=4 393 B6R0.6 OC\C=C\C=C\Br Amb27750080 [0,1,1,0,0,0|1,0,1]=4 394 B6R0.6 OC\C=C\C=C\Cl Amb27858902 [0,1,1,0,0,0|1,0,1]=4 395 B6R1.2 Bc1ccco1 Amb28286917 [0,1,0,0,1,0|1,0,0]=3 396 B6R1.2 Bn1cccc1 Amb27463207 [0,1,0,0,1,0|1,0,0]=3 397 B6R1.2 Brc1ccc[se]1 Amb21964756 [0,1,0,0,1,0|1,0,0]=3 398 B6R1.2 Brc1ccco1 Amb2723041 [0,1,0,0,1,0|1,0,0]=3 399 B6R1.2 Brc1cccs1 Amb2685504 [0,1,0,0,1,0|1,0,0]=3 400 B6R1.2 Brc1ccno1 Amb20242149 [0,1,0,0,1,0|2,0,0]=4 401 B6R1.2 Brc1ccns1 Amb33544135 [0,1,0,0,1,0|2,0,0]=4 402 B6R1.2 Brc1ccoc1 Amb2720289 [0,1,0,0,1,0|1,0,0]=3 403 B6R1.2 Brc1ccon1 Amb13890359 [0,1,0,0,1,0|2,0,0]=4 404 B6R1.2 Brc1ccsc1 Amb2685505 [0,1,0,0,1,0|1,0,0]=3 405 B6R1.2 Brc1ccsn1 Amb18828880 [0,1,0,0,1,0|2,0,0]=4 406 B6R1.2 Brc1cnco1 Amb24058248 [0,1,0,0,1,0|2,0,0]=4 407 B6R1.2 Brc1cnco1 Amb32667046 [0,1,0,0,1,0|2,0,0]=4 408 B6R1.2 Brc1cncs1 Amb2455804 [0,1,0,0,1,0|2,0,0]=4 409 B6R1.2 Brc1cnoc1 Amb2447384 [0,1,0,0,1,0|2,0,0]=4 410 B6R1.2 Brc1cnsc1 Amb1091886 [0,1,0,0,1,0|2,0,0]=4 411 B6R1.2 Brc1cocn1 Amb26843131 [0,1,0,0,1,0|2,0,0]=4 412 B6R1.2 Brc1cocn1 Amb32667192 [0,1,0,0,1,0|2,0,0]=4 413 B6R1.2 Brc1cscn1 Amb2447456 [0,1,0,0,1,0|2,0,0]=4 414 B6R1.2 Brc1ncco1 Amb10071482 [0,1,0,0,1,0|2,0,0]=4 415 B6R1.2 Brc1ncco1 Amb19514894 [0,1,0,0,1,0|2,0,0]=4 416 B6R1.2 Brc1nccs1 Amb535721 [0,1,0,0,1,0|2,0,0]=4 417 B6R1.2 CC1=CC=CC1 Amb26338978 [0,1,0,0,1,0|0,0,1]=3 418 B6R1.2 Cc1ccco1 Amb2447070 [0,1,0,0,1,0|1,0,0]=3 419 B6R1.2 Cc1cccs1 Amb2447069 [0,1,0,0,1,0|1,0,0]=3 420 B6R1.2 Cc1ccno1 Amb33544333 [0,1,0,0,1,0|2,0,0]=4 421 B6R1.2 Cc1ccns1 Amb22734260 [0,1,0,0,1,0|2,0,0]=4 422 B6R1.2 Cc1ccoc1 Amb2447077 [0,1,0,0,1,0|1,0,0]=3 423 B6R1.2 Cc1ccon1 Amb4005631 [0,1,0,0,1,0|2,0,0]=4 424 B6R1.2 Cc1ccsc1 Amb2447071 [0,1,0,0,1,0|1,0,0]=3 425 B6R1.2 Cc1ccsn1 Amb20621563 [0,1,0,0,1,0|2,0,0]=4 426 B6R1.2 Cc1cnco1 Amb23403175 [0,1,0,0,1,0|2,0,0]=4 427 B6R1.2 Cc1cncs1 Amb8396856 [0,1,0,0,1,0|2,0,0]=4 428 B6R1.2 Cc1cnoc1 Amb2697202 [0,1,0,0,1,0|2,0,0]=4 429 B6R1.2 Cc1cnsc1 Amb22370679 [0,1,0,0,1,0|2,0,0]=4 430 B6R1.2 Cc1cocn1 Amb33544147 [0,1,0,0,1,0|2,0,0]=4 431 B6R1.2 Cc1cscn1 Amb1163532 [0,1,0,0,1,0|2,0,0]=4 432 B6R1.2 Cc1ncco1 Amb17399783 [0,1,0,0,1,0|2,0,0]=4 433 B6R1.2 Cc1ncco1 Amb22757206 [0,1,0,0,1,0|2,0,0]=4 434 B6R1.2 Cc1nccs1 Amb2455765 [0,1,0,0,1,0|2,0,0]=4 435 B6R1.2 ClC1=CCC=C1 Amb22584067 [0,1,0,0,1,0|0,0,1]=3 436 B6R1.2 Clc1ccco1 Amb27805575 [0,1,0,0,1,0|1,0,0]=3 437 B6R1.2 Clc1cccs1 Amb2686481 [0,1,0,0,1,0|1,0,0]=3 438 B6R1.2 Clc1ccoc1 Amb24333769 [0,1,0,0,1,0|1,0,0]=3 439 B6R1.2 Clc1ccon1 Amb33543597 [0,1,0,0,1,0|2,0,0]=4 440 B6R1.2 Clc1ccsc1 Amb2686482 [0,1,0,0,1,0|1,0,0]=3 441 B6R1.2 Clc1ccsn1 Amb21927817 [0,1,0,0,1,0|2,0,0]=4 442 B6R1.2 Clc1cncs1 Amb21864727 [0,1,0,0,1,0|2,0,0]=4 443 B6R1.2 Clc1cncs1 Amb33549695 [0,1,0,0,1,0|2,0,0]=4 444 B6R1.2 Clc1cnoc1 Amb27974688 [0,1,0,0,1,0|2,0,0]=4 445 B6R1.2 Clc1cnsc1 Amb28049472 [0,1,0,0,1,0|2,0,0]=4 446 B6R1.2 Clc1cscn1 Amb10602719 [0,1,0,0,1,0|2,0,0]=4 447 B6R1.2 Clc1ncco1 Amb22054705 [0,1,0,0,1,0|2,0,0]=4 448 B6R1.2 Clc1ncco1 Amb32655821 [0,1,0,0,1,0|2,0,0]=4 449 B6R1.2 Clc1nccs1 Amb2455949 [0,1,0,0,1,0|2,0,0]=4 450 B6R1.2 Cn1cccc1 Amb6608780 [0,1,0,0,1,0|1,0,0]=3 451 B6R1.2 Cn1cccn1 Amb1088902 [0,1,0,0,1,0|2,0,0]=4 452 B6R1.2 Cn1ccnc1 Amb22337441 [0,1,0,0,1,0|2,0,0]=4 453 B6R1.2 Cn1ccnc1 Amb2689449 [0,1,0,0,1,0|2,0,0]=4 454 B6R1.2 Fc1ccco1 Amb27470402 [0,1,0,0,1,0|1,0,0]=3 455 B6R1.2 Fc1cccs1 Amb8388025 [0,1,0,0,1,0|1,0,0]=3 456 B6R1.2 Fc1ccoc1 Amb26369802 [0,1,0,0,1,0|1,0,0]=3 457 B6R1.2 Fc1ccsc1 Amb33543454 [0,1,0,0,1,0|1,0,0]=3 458 B6R1.2 Fc1cnoc1 Amb28255557 [0,1,0,0,1,0|2,0,0]=4 459 B6R1.2 Fc1cocn1 Amb27214748 [0,1,0,0,1,0|2,0,0]=4 460 B6R1.2 Fc1nccs1 Amb20621379 [0,1,0,0,1,0|2,0,0]=4 461 B6R1.2 Fn1ccnc1 Amb28133827 [0,1,0,0,1,0|2,0,0]=4 462 B6R1.2 IC1C=CC=C1 Amb25189843 [0,1,0,0,1,0|0,0,1]=3 463 B6R1.2 Ic1ccco1 Amb17672748 [0,1,0,0,1,0|1,0,0]=3 464 B6R1.2 Ic1cccs1 Amb2688889 [0,1,0,0,1,0|1,0,0]=3 465 B6R1.2 Ic1ccns1 Amb25136169 [0,1,0,0,1,0|2,0,0]=4 466 B6R1.2 Ic1ccoc1 Amb24686192 [0,1,0,0,1,0|1,0,0]=3 467 B6R1.2 Ic1ccsc1 Amb8393328 [0,1,0,0,1,0|1,0,0]=3 468 B6R1.2 Ic1ccsn1 Amb32685567 [0,1,0,0,1,0|2,0,0]=4 469 B6R1.2 Ic1cnco1 Amb33250373 [0,1,0,0,1,0|2,0,0]=4 470 B6R1.2 Ic1cncs1 Amb24087561 [0,1,0,0,1,0|2,0,0]=4 471 B6R1.2 Ic1cnoc1 Amb19957573 [0,1,0,0,1,0|2,0,0]=4 472 B6R1.2 Ic1cnsc1 Amb12805582 [0,1,0,0,1,0|2,0,0]=4 473 B6R1.2 Ic1cocn1 Amb24620615 [0,1,0,0,1,0|2,0,0]=4 474 B6R1.2 Ic1cocn1 Amb32684147 [0,1,0,0,1,0|2,0,0]=4 475 B6R1.2 Ic1cscn1 Amb22057367 [0,1,0,0,1,0|2,0,0]=4 476 B6R1.2 Ic1ncco1 Amb33547666 [0,1,0,0,1,0|2,0,0]=4 477 B6R1.2 Ic1nccs1 Amb6296420 [0,1,0,0,1,0|2,0,0]=4 478 B6R1.2 In1ccnc1 Amb25965700 [0,1,0,0,1,0|2,0,0]=4 479 B6R1.2 N=C1C=CNC1 Amb28135748 [0,1,0,0,1,0|1,0,1]=4 480 B6R1.2 N=C1NC=CS1 Amb22166858 [0,1,0,0,1,0|2,0,0]=4 481 B6R1.2 NC1=NCC=C1 Amb25208790 [0,1,0,0,1,0|1,0,1]=4 482 B6R1.2 N[c-]1cccc1 Amb34916047 [0,1,0,0,1,0|0,0,1]=3 483 B6R1.2 Nc1ccco1 Amb18203215 [0,1,0,0,1,0|1,0,0]=3 484 B6R1.2 Nc1ccno1 Amb33528297 [0,1,0,0,1,0|2,0,0]=4 485 B6R1.2 Nc1ccns1 Amb18203020 [0,1,0,0,1,0|2,0,0]=4 486 B6R1.2 Nc1ccns1 Amb28555333 [0,1,0,0,1,0|2,0,0]=4 487 B6R1.2 Nc1ccoc1 Amb22230735 [0,1,0,0,1,0|1,0,0]=3 488 B6R1.2 Nc1ccon1 Amb613464 [0,1,0,0,1,0|2,0,0]=4 489 B6R1.2 Nc1ccsc1 Amb13889594 [0,1,0,0,1,0|1,0,0]=3 490 B6R1.2 Nc1ccsc1 Amb17935671 [0,1,0,0,1,0|1,0,0]=3 491 B6R1.2 Nc1ccsc1 Amb19515444 [0,1,0,0,1,0|1,0,0]=3 492 B6R1.2 Nc1ccsc1 Amb22405919 [0,1,0,0,1,0|1,0,0]=3 493 B6R1.2 Nc1ccsn1 Amb22235783 [0,1,0,0,1,0|2,0,0]=4 494 B6R1.2 Nc1ccsn1 Amb33553648 [0,1,0,0,1,0|2,0,0]=4 495 B6R1.2 Nc1cnco1 Amb21962026 [0,1,0,0,1,0|2,0,0]=4 496 B6R1.2 Nc1cnco1 Amb21963496 [0,1,0,0,1,0|2,0,0]=4 497 B6R1.2 Nc1cncs1 Amb32664220 [0,1,0,0,1,0|2,0,0]=4 498 B6R1.2 Nc1cncs1 Amb8395996 [0,1,0,0,1,0|2,0,0]=4 499 B6R1.2 Nc1cncs1 Amb8631404 [0,1,0,0,1,0|2,0,0]=4 500 B6R1.2 Nc1cnoc1 Amb10602604 [0,1,0,0,1,0|2,0,0]=4 501 B6R1.2 Nc1cnoc1 Amb10602605 [0,1,0,0,1,0|2,0,0]=4 502 B6R1.2 Nc1cnsc1 Amb19958803 [0,1,0,0,1,0|2,0,0]=4 503 B6R1.2 Nc1cnsc1 Amb30584670 [0,1,0,0,1,0|2,0,0]=4 504 B6R1.2 Nc1cnsc1 Amb8009360 [0,1,0,0,1,0|2,0,0]=4 505 B6R1.2 Nc1cocn1 Amb22284836 [0,1,0,0,1,0|2,0,0]=4 506 B6R1.2 Nc1cscn1 Amb10600518 [0,1,0,0,1,0|2,0,0]=4 507 B6R1.2 Nc1cscn1 Amb22495658 [0,1,0,0,1,0|2,0,0]=4 508 B6R1.2 Nc1ncco1 Amb6751913 [0,1,0,0,1,0|2,0,0]=4 509 B6R1.2 Nc1nccs1 Amb2609403 [0,1,0,0,1,0|2,0,0]=4 510 B6R1.2 Nc1nccs1 Amb2707210 [0,1,0,0,1,0|2,0,0]=4 511 B6R1.2 Nn1cccc1 Amb2684521 [0,1,0,0,1,0|1,0,0]=3 512 B6R1.2 Nn1cccn1 Amb22233569 [0,1,0,0,1,0|2,0,0]=4 513 B6R1.2 Nn1ccnc1 Amb22728066 [0,1,0,0,1,0|2,0,0]=4 514 B6R1.2 Nn1ccnc1 Amb24184022 [0,1,0,0,1,0|2,0,0]=4 515 B6R1.2 O=C1C=CCC1 Amb4019519 [0,1,0,0,1,0|0,0,2]=4 516 B6R1.2 O=C1C=CCN1 Amb20241082 [0,1,0,0,1,0|1,0,1]=4 517 B6R1.2 O=C1C=CCO1 Amb2792769 [0,1,0,0,1,0|1,0,1]=4 518 B6R1.2 O=C1C=CCS1 Amb22336458 [0,1,0,0,1,0|1,0,1]=4 519 B6R1.2 O=C1C=CN=N1 Amb22230022 [0,1,0,0,1,0|2,0,0]=4 520 B6R1.2 O=C1C=CNN1 Amb19958916 [0,1,0,0,1,0|2,0,0]=4 521 B6R1.2 O=C1C=COC1 Amb24107591 [0,1,0,0,1,0|1,0,1]=4 522 B6R1.2 O=C1C=CSN1 Amb19895016 [0,1,0,0,1,0|2,0,0]=4 523 B6R1.2 O=C1C=CSS1 Amb27421370 [0,1,0,0,1,0|2,0,0]=4 524 B6R1.2 O=C1C=NN=C1 Amb28351406 [0,1,0,0,1,0|2,0,0]=4 525 B6R1.2 O=C1CC=CC1 Amb2686649 [0,1,0,0,1,0|0,0,2]=4 526 B6R1.2 O=C1CC=CN1 Amb22235167 [0,1,0,0,1,0|1,0,1]=4 527 B6R1.2 O=C1N=CC=N1 Amb25138138 [0,1,0,0,1,0|2,0,0]=4 528 B6R1.2 O=C1NC=CN1 Amb19516737 [0,1,0,0,1,0|2,0,0]=4 529 B6R1.2 O=C1NC=CO1 Amb20671008 [0,1,0,0,1,0|2,0,0]=4 530 B6R1.2 O=C1NC=CS1 Amb19271596 [0,1,0,0,1,0|2,0,0]=4 531 B6R1.2 O=C1OC=CO1 Amb20239430 [0,1,0,0,1,0|2,0,0]=4 532 B6R1.2 O=S1C=CC=C1 Amb27787698 [0,1,0,0,1,0|1,0,0]=3 533 B6R1.2 Oc1ccco1 Amb25991417 [0,1,0,0,1,0|1,0,0]=3 534 B6R1.2 Oc1cccs1 Amb17201836 [0,1,0,0,1,0|1,0,0]=3 535 B6R1.2 Oc1ccon1 Amb33547602 [0,1,0,0,1,0|2,0,0]=4 536 B6R1.2 Oc1ccsc1 Amb16231253 [0,1,0,0,1,0|1,0,0]=3 537 B6R1.2 Oc1ccsn1 Amb22371253 [0,1,0,0,1,0|2,0,0]=4 538 B6R1.2 Oc1cnco1 Amb25301524 [0,1,0,0,1,0|2,0,0]=4 539 B6R1.2 Oc1cncs1 Amb10599639 [0,1,0,0,1,0|2,0,0]=4 540 B6R1.2 Oc1cnoc1 Amb24601068 [0,1,0,0,1,0|2,0,0]=4 541 B6R1.2 Oc1cnsc1 Amb33744137 [0,1,0,0,1,0|2,0,0]=4 542 B6R1.2 Oc1cscn1 Amb10600519 [0,1,0,0,1,0|2,0,0]=4 543 B6R1.2 On1cccn1 Amb10067876 [0,1,0,0,1,0|2,0,0]=4 544 B6R1.2 On1ccnc1 Amb10552377 [0,1,0,0,1,0|2,0,0]=4 545 B6R1.2 S=C1C=CCO1 Amb27971151 [0,1,0,0,1,0|1,0,1]=4 546 B6R1.2 S=C1C=CSS1 Amb19132030 [0,1,0,0,1,0|2,0,0]=4 547 B6R1.2 S=C1CC=CN1 Amb27239207 [0,1,0,0,1,0|1,0,1]=4 548 B6R1.2 S=C1NC=CN1 Amb19148165 [0,1,0,0,1,0|2,0,0]=4 549 B6R1.2 S=C1NC=CO1 Amb21936248 [0,1,0,0,1,0|2,0,0]=4 550 B6R1.2 S=C1NC=CS1 Amb22492748 [0,1,0,0,1,0|2,0,0]=4 551 B6R1.2 S=C1SC=CS1 Amb20001458 [0,1,0,0,1,0|2,0,0]=4 552 B6R1.2 Sc1ccco1 Amb26641519 [0,1,0,0,1,0|1,0,0]=3 553 B6R1.2 Sc1cccs1 Amb2689075 [0,1,0,0,1,0|1,0,0]=3 554 B6R1.2 Sc1ccoc1 Amb25979686 [0,1,0,0,1,0|1,0,0]=3 555 B6R1.2 Sc1ccon1 Amb26338955 [0,1,0,0,1,0|2,0,0]=4 556 B6R1.2 Sc1ccsc1 Amb16232450 [0,1,0,0,1,0|1,0,0]=3 557 B6R1.2 Sc1cnsc1 Amb25992586 [0,1,0,0,1,0|2,0,0]=4 558 B6R1.2 Sc1cocn1 Amb27966248 [0,1,0,0,1,0|2,0,0]=4 559 B6R1.2 Sc1cscn1 Amb24099741 [0,1,0,0,1,0|2,0,0]=4 560 B6R1.2 Sc1nccs1 Amb1137208 [0,1,0,0,1,0|2,0,0]=4 561 B6R1.2 Sn1ccnc1 Amb27959165 [0,1,0,0,1,0|2,0,0]=4 562 B6R1.2 [O-][n+]1ccsc1 Amb25684211 [0,1,0,0,1,0|2,0,0]=4 563 B6R1.2 [SiH2]=C1NC=CN1 Amb27225499 [0,1,0,0,1,0|2,0,0]=4 564 B8R1.22 BrC1C=CC=CCC1 Amb27629198 [0,1,0,0,0,1|0,0,2]=4 565 B8R1.22 ClC1C=CC=CC=C1 Amb28121076 [0,1,0,0,0,1|0,0,0]=2 566 B8R1.22 ClC1CC=CC=CC1 Amb28198665 [0,1,0,0,0,1|0,0,2]=4 567 B8R1.22 NC1=CC=C=NC=C1 Amb27467651 [0,1,0,0,0,1|0,0,1]=3 568 B8R1.22 NC1=NNC=CC=C1 Amb27469656 [0,1,0,0,0,1|1,0,0]=3 569 B8R1.22 NC1C=CC=CC=C1 Amb27620329 [0,1,0,0,0,1|0,0,0]=2 570 B8R1.22 O=C1C=CC=CC=C1 Amb19883798 [0,1,0,0,0,1|0,0,0]=2 571 B8R1.22 O=C1C=CC=CCC1 Amb17593120 [0,1,0,0,0,1|0,0,1]=3 572 B8R1.22 O=C1C=CC=NC=C1 Amb27599481 [0,1,0,0,0,1|0,0,0]=2 573 B8R1.22 O=C1C=CCC=CC1 Amb28316220 [0,1,0,0,0,1|0,0,1]=3 574 B8R1.22 O=C1C=CCCC=C1 Amb22364722 [0,1,0,0,0,1|0,0,1]=3 575 B8R1.22 OC1C=CC=CCC1 Amb27766443 [0,1,0,0,0,1|0,0,2]=4 576 B8R1.2 BrCC1=CC=CC#C1 Amb27477926 [0,2,0,0,0,0|0,0,2]=4 577 B8R1.2 BrCc1ccccc1 Amb3939707 [0,2,0,0,0,0|0,0,0]=2 578 B8R1.2 BrCc1ccccn1 Amb3939990 [0,2,0,0,0,0|1,0,0]=3 579 B8R1.2 BrCc1ccccn1 Amb8393294 [0,2,0,0,0,0|1,0,0]=3 580 B8R1.2 BrCc1cccnc1 Amb3939989 [0,2,0,0,0,0|1,0,0]=3 581 B8R1.2 BrCc1cccnc1 Amb9826052 [0,2,0,0,0,0|1,0,0]=3 582 B8R1.2 BrCc1cccnn1 Amb10070423 [0,2,0,0,0,0|2,0,0]=4 583 B8R1.2 BrCc1cccnn1 Amb22234747 [0,2,0,0,0,0|2,0,0]=4 584 B8R1.2 BrCc1ccncc1 Amb3939991 [0,2,0,0,0,0|1,0,0]=3 585 B8R1.2 BrCc1ccncc1 Amb9826062 [0,2,0,0,0,0|1,0,0]=3 586 B8R1.2 BrCc1ccncn1 Amb22235520 [0,2,0,0,0,0|2,0,0]=4 587 B8R1.2 BrCc1ccnnc1 Amb25966814 [0,2,0,0,0,0|2,0,0]=4 588 B8R1.2 BrCc1cnccn1 Amb16185761 [0,2,0,0,0,0|2,0,0]=4 589 B8R1.2 BrCc1cnccn1 Amb22498353 [0,2,0,0,0,0|2,0,0]=4 590 B8R1.2 BrCc1cncnc1 Amb22001742 [0,2,0,0,0,0|2,0,0]=4 591 B8R1.2 BrCc1cncnc1 Amb22751382 [0,2,0,0,0,0|2,0,0]=4 592 B8R1.2 BrCc1ncccn1 Amb26456265 [0,2,0,0,0,0|2,0,0]=4 593 B8R1.2 Br[Mg]c1ccccn1 Amb22000542 [0,2,0,0,0,0|1,0,0]=3 594 B8R1.2 Br[Mg]c1cccnc1 Amb28989773 [0,2,0,0,0,0|1,0,0]=3 595 B8R1.2 Br[Se]c1ccccc1 Amb8514629 [0,2,0,0,0,0|0,0,0]=2 596 B8R1.2 C#Cc1ccccc1 Amb2793084 [0,2,0,0,0,0|0,0,0]=2 597 B8R1.2 C#Cc1ccccn1 Amb2720532 [0,2,0,0,0,0|1,0,0]=3 598 B8R1.2 C#Cc1ccccn1 Amb32664778 [0,2,0,0,0,0|1,0,0]=3 599 B8R1.2 C#Cc1cccnc1 Amb10067163 [0,2,0,0,0,0|1,0,0]=3 600 B8R1.2 C#Cc1cccnn1 Amb23439062 [0,2,0,0,0,0|2,0,0]=4 601 B8R1.2 C#Cc1ccncc1 Amb13891877 [0,2,0,0,0,0|1,0,0]=3 602 B8R1.2 C#Cc1ccncc1 Amb33541704 [0,2,0,0,0,0|1,0,0]=3 603 B8R1.2 C#Cc1ccncn1 Amb33547137 [0,2,0,0,0,0|2,0,0]=4 604 B8R1.2 C#Cc1ccnnc1 Amb27207293 [0,2,0,0,0,0|2,0,0]=4 605 B8R1.2 C#Cc1cnccn1 Amb19895048 [0,2,0,0,0,0|2,0,0]=4 606 B8R1.2 C#Cc1cncnc1 Amb2423750 [0,2,0,0,0,0|2,0,0]=4 607 B8R1.2 C#Cc1ncccn1 Amb19957825 [0,2,0,0,0,0|2,0,0]=4 608 B8R1.2 C=Cc1ccccc1 Amb6608811 [0,2,0,0,0,0|0,0,0]=2 609 B8R1.2 C=Cc1ccccn1 Amb6600549 [0,2,0,0,0,0|1,0,0]=3 610 B8R1.2 C=Cc1cccnc1 Amb33544464 [0,2,0,0,0,0|1,0,0]=3 611 B8R1.2 C=Cc1cccnn1 Amb25026421 [0,2,0,0,0,0|2,0,0]=4 612 B8R1.2 C=Cc1ccncc1 Amb3940417 [0,2,0,0,0,0|1,0,0]=3 613 B8R1.2 C=Cc1ccncn1 Amb24056360 [0,2,0,0,0,0|2,0,0]=4 614 B8R1.2 C=Cc1cnccn1 Amb2695475 [0,2,0,0,0,0|2,0,0]=4 615 B8R1.2 C=Cc1cncnc1 Amb24056355 [0,2,0,0,0,0|2,0,0]=4 616 B8R1.2 C=Cc1ncccn1 Amb23411991 [0,2,0,0,0,0|2,0,0]=4 617 B8R1.2 C=Nc1ccccc1 Amb24605672 [0,2,0,0,0,0|0,0,0]=2 618 B8R1.2 C=Nc1ccccn1 Amb26956421 [0,2,0,0,0,0|1,0,0]=3 619 B8R1.2 CCC1=CC=CNC1 Amb27643536 [0,2,0,0,0,0|1,0,1]=4 620 B8R1.2 CC[n+]1ccccc1 Amb8516219 [0,2,0,0,0,0|1,0,0]=3 621 B8R1.2 CC[n+]1ccccc1 Amb8516636 [0,2,0,0,0,0|1,0,0]=3 622 B8R1.2 CCc1ccccc1 Amb2447474 [0,2,0,0,0,0|0,0,0]=2 623 B8R1.2 CCc1ccccn1 Amb6608978 [0,2,0,0,0,0|1,0,0]=3 624 B8R1.2 CCc1cccnc1 Amb4037096 [0,2,0,0,0,0|1,0,0]=3 625 B8R1.2 CCc1cccnn1 Amb28290156 [0,2,0,0,0,0|2,0,0]=4 626 B8R1.2 CCc1ccncc1 Amb8513449 [0,2,0,0,0,0|1,0,0]=3 627 B8R1.2 CCc1ccncn1 Amb20242304 [0,2,0,0,0,0|2,0,0]=4 628 B8R1.2 CCc1cnccn1 Amb6374282 [0,2,0,0,0,0|2,0,0]=4 629 B8R1.2 CCc1cncnc1 Amb24097063 [0,2,0,0,0,0|2,0,0]=4 630 B8R1.2 CCc1ncccn1 Amb33544267 [0,2,0,0,0,0|2,0,0]=4 631 B8R1.2 CNC1=CC[N-]C=C1 Amb26860853 [0,2,0,0,0,0|1,0,1]=4 632 B8R1.2 CNc1ccccc1 Amb2721038 [0,2,0,0,0,0|0,0,0]=2 633 B8R1.2 CNc1ccccc1 Amb4037054 [0,2,0,0,0,0|0,0,0]=2 634 B8R1.2 CNc1ccccn1 Amb3429849 [0,2,0,0,0,0|1,0,0]=3 635 B8R1.2 CNc1cccnc1 Amb8396762 [0,2,0,0,0,0|1,0,0]=3 636 B8R1.2 CNc1cccnn1 Amb18947507 [0,2,0,0,0,0|2,0,0]=4 637 B8R1.2 CNc1ccncc1 Amb2610661 [0,2,0,0,0,0|1,0,0]=3 638 B8R1.2 CNc1ccncn1 Amb18944730 [0,2,0,0,0,0|2,0,0]=4 639 B8R1.2 CNc1ccnnc1 Amb23560757 [0,2,0,0,0,0|2,0,0]=4 640 B8R1.2 CNc1cnccn1 Amb1102655 [0,2,0,0,0,0|2,0,0]=4 641 B8R1.2 CNc1cncnc1 Amb18268827 [0,2,0,0,0,0|2,0,0]=4 642 B8R1.2 CNc1ncccn1 Amb2609521 [0,2,0,0,0,0|2,0,0]=4 643 B8R1.2 COC1=CCC=CC1 Amb10842162 [0,2,0,0,0,0|0,0,2]=4 644 B8R1.2 COc1ccccc1 Amb2842269 [0,2,0,0,0,0|0,0,0]=2 645 B8R1.2 COc1ccccn1 Amb4037280 [0,2,0,0,0,0|1,0,0]=3 646 B8R1.2 COc1cccnc1 Amb8517634 [0,2,0,0,0,0|1,0,0]=3 647 B8R1.2 COc1cccnn1 Amb5751228 [0,2,0,0,0,0|2,0,0]=4 648 B8R1.2 COc1ccncc1 Amb2609546 [0,2,0,0,0,0|1,0,0]=3 649 B8R1.2 COc1ccncc1 Amb28991347 [0,2,0,0,0,0|1,0,0]=3 650 B8R1.2 COc1ccncn1 Amb15692928 [0,2,0,0,0,0|2,0,0]=4 651 B8R1.2 COc1ccnnc1 Amb21857844 [0,2,0,0,0,0|2,0,0]=4 652 B8R1.2 COc1cnccn1 Amb2689275 [0,2,0,0,0,0|2,0,0]=4 653 B8R1.2 COc1cncnc1 Amb8439425 [0,2,0,0,0,0|2,0,0]=4 654 B8R1.2 COc1ncccn1 Amb2609513 [0,2,0,0,0,0|2,0,0]=4 655 B8R1.2 CPc1ccccc1 Amb25341327 [0,2,0,0,0,0|0,0,0]=2 656 B8R1.2 CSC1=CC=CNC1 Amb27205077 [0,2,0,0,0,0|1,0,1]=4 657 B8R1.2 CSc1ccccc1 Amb2690593 [0,2,0,0,0,0|0,0,0]=2 658 B8R1.2 CSc1ccccn1 Amb8392843 [0,2,0,0,0,0|1,0,0]=3 659 B8R1.2 CSc1cccnc1 Amb24087396 [0,2,0,0,0,0|1,0,0]=3 660 B8R1.2 CSc1ccncc1 Amb24103013 [0,2,0,0,0,0|1,0,0]=3 661 B8R1.2 CSc1ccncn1 Amb27958790 [0,2,0,0,0,0|2,0,0]=4 662 B8R1.2 CSc1ccnnc1 Amb28368536 [0,2,0,0,0,0|2,0,0]=4 663 B8R1.2 CSc1cnccn1 Amb2689740 [0,2,0,0,0,0|2,0,0]=4 664 B8R1.2 CSc1ncccn1 Amb22295856 [0,2,0,0,0,0|2,0,0]=4 665 B8R1.2 CSc1ncccn1 Amb2455862 [0,2,0,0,0,0|2,0,0]=4 666 B8R1.2 ClCc1cc[nH+]cc1 Amb4258486 [0,2,0,0,0,0|1,0,0]=3 667 B8R1.2 ClCc1ccccc1 Amb2792911 [0,2,0,0,0,0|0,0,0]=2 668 B8R1.2 ClCc1ccccn1 Amb22489454 [0,2,0,0,0,0|1,0,0]=3 669 B8R1.2 ClCc1ccccn1 Amb534985 [0,2,0,0,0,0|1,0,0]=3 670 B8R1.2 ClCc1ccccn1 Amb6296082 [0,2,0,0,0,0|1,0,0]=3 671 B8R1.2 ClCc1cccnc1 Amb2725600 [0,2,0,0,0,0|1,0,0]=3 672 B8R1.2 ClCc1cccnc1 Amb534994 [0,2,0,0,0,0|1,0,0]=3 673 B8R1.2 ClCc1cccnn1 Amb21960122 [0,2,0,0,0,0|2,0,0]=4 674 B8R1.2 ClCc1cccnn1 Amb22000870 [0,2,0,0,0,0|2,0,0]=4 675 B8R1.2 ClCc1ccncc1 Amb2715054 [0,2,0,0,0,0|1,0,0]=3 676 B8R1.2 ClCc1ccncn1 Amb21864735 [0,2,0,0,0,0|2,0,0]=4 677 B8R1.2 ClCc1ccncn1 Amb22491514 [0,2,0,0,0,0|2,0,0]=4 678 B8R1.2 ClCc1ccnnc1 Amb27599955 [0,2,0,0,0,0|2,0,0]=4 679 B8R1.2 ClCc1cnccn1 Amb15741173 [0,2,0,0,0,0|2,0,0]=4 680 B8R1.2 ClCc1cnccn1 Amb8860572 [0,2,0,0,0,0|2,0,0]=4 681 B8R1.2 ClCc1cncnc1 Amb10605864 [0,2,0,0,0,0|2,0,0]=4 682 B8R1.2 ClCc1cncnc1 Amb20671193 [0,2,0,0,0,0|2,0,0]=4 683 B8R1.2 ClCc1ncccn1 Amb5754387 [0,2,0,0,0,0|2,0,0]=4 684 B8R1.2 ClCc1ncccn1 Amb7101515 [0,2,0,0,0,0|2,0,0]=4 685 B8R1.2 Cl[Se]c1ccccc1 Amb8513798 [0,2,0,0,0,0|0,0,0]=2 686 B8R1.2 Cl[SiH2]c1ccccc1 Amb22351128 [0,2,0,0,0,0|0,0,0]=2 687 B8R1.2 FCc1ccccc1 Amb10838335 [0,2,0,0,0,0|0,0,0]=2 688 B8R1.2 FCc1cccnc1 Amb25259171 [0,2,0,0,0,0|1,0,0]=3 689 B8R1.2 FCc1ccncc1 Amb22372287 [0,2,0,0,0,0|1,0,0]=3 690 B8R1.2 ICc1ccccc1 Amb4006861 [0,2,0,0,0,0|0,0,0]=2 691 B8R1.2 ICc1ccccn1 Amb26963503 [0,2,0,0,0,0|1,0,0]=3 692 B8R1.2 ICc1cccnc1 Amb10602162 [0,2,0,0,0,0|1,0,0]=3 693 B8R1.2 ICc1cccnc1 Amb33527054 [0,2,0,0,0,0|1,0,0]=3 694 B8R1.2 ICc1ccncc1 Amb33552994 [0,2,0,0,0,0|1,0,0]=3 695 B8R1.2 ICc1ncccn1 Amb28186407 [0,2,0,0,0,0|2,0,0]=4 696 B8R1.2 I[Se]c1ccccc1 Amb10601593 [0,2,0,0,0,0|0,0,0]=2 697 B8R1.2 N#CC1=CC=CNC1 Amb27166581 [0,2,0,0,0,0|1,0,1]=4 698 B8R1.2 N#Cc1ccccc1 Amb21864642 [0,2,0,0,0,0|0,0,0]=2 699 B8R1.2 N#Cc1ccccc1 Amb2793082 [0,2,0,0,0,0|0,0,0]=2 700 B8R1.2 N#Cc1ccccn1 Amb2721574 [0,2,0,0,0,0|1,0,0]=3 701 B8R1.2 N#Cc1cccnc1 Amb1792577 [0,2,0,0,0,0|1,0,0]=3 702 B8R1.2 N#Cc1cccnn1 Amb13884089 [0,2,0,0,0,0|2,0,0]=4 703 B8R1.2 N#Cc1ccncc1 Amb2609937 [0,2,0,0,0,0|1,0,0]=3 704 B8R1.2 N#Cc1ccncn1 Amb13884090 [0,2,0,0,0,0|2,0,0]=4 705 B8R1.2 N#Cc1ccnnc1 Amb20622003 [0,2,0,0,0,0|2,0,0]=4 706 B8R1.2 N#Cc1cnccn1 Amb2686609 [0,2,0,0,0,0|2,0,0]=4 707 B8R1.2 N#Cc1cncnc1 Amb10066992 [0,2,0,0,0,0|2,0,0]=4 708 B8R1.2 N#Cc1ncccn1 Amb2686610 [0,2,0,0,0,0|2,0,0]=4 709 B8R1.2 N#[N+]c1ccccc1 Amb10564805 [0,2,0,0,0,0|0,0,0]=2 710 B8R1.2 N=Nc1cnccn1 Amb27849107 [0,2,0,0,0,0|2,0,0]=4 711 B8R1.2 NCC1=CCOC=C1 Amb28313810 [0,2,0,0,0,0|1,0,1]=4 712 B8R1.2 NCC1=COC=CO1 Amb28241554 [0,2,0,0,0,0|2,0,0]=4 713 B8R1.2 NCC1C=CC=CN1 Amb28119968 [0,2,0,0,0,0|1,0,1]=4 714 B8R1.2 NCc1ccccc1 Amb19958612 [0,2,0,0,0,0|0,0,0]=2 715 B8R1.2 NCc1ccccc1 Amb2725314 [0,2,0,0,0,0|0,0,0]=2 716 B8R1.2 NCc1ccccc1 Amb2792834 [0,2,0,0,0,0|0,0,0]=2 717 B8R1.2 NCc1ccccc1 Amb6383294 [0,2,0,0,0,0|0,0,0]=2 718 B8R1.2 NCc1ccccn1 Amb20620292 [0,2,0,0,0,0|1,0,0]=3 719 B8R1.2 NCc1ccccn1 Amb2684477 [0,2,0,0,0,0|1,0,0]=3 720 B8R1.2 NCc1cccnc1 Amb1481403 [0,2,0,0,0,0|1,0,0]=3 721 B8R1.2 NCc1cccnc1 Amb2189172 [0,2,0,0,0,0|1,0,0]=3 722 B8R1.2 NCc1cccnc1 Amb6383332 [0,2,0,0,0,0|1,0,0]=3 723 B8R1.2 NCc1cccnn1 Amb24183396 [0,2,0,0,0,0|2,0,0]=4 724 B8R1.2 NCc1cccnn1 Amb8009405 [0,2,0,0,0,0|2,0,0]=4 725 B8R1.2 NCc1ccncc1 Amb1156526 [0,2,0,0,0,0|1,0,0]=3 726 B8R1.2 NCc1ccncc1 Amb20622010 [0,2,0,0,0,0|1,0,0]=3 727 B8R1.2 NCc1ccncn1 Amb3941350 [0,2,0,0,0,0|2,0,0]=4 728 B8R1.2 NCc1ccncn1 Amb7101495 [0,2,0,0,0,0|2,0,0]=4 729 B8R1.2 NCc1ccncn1 Amb8503484 [0,2,0,0,0,0|2,0,0]=4 730 B8R1.2 NCc1ccnnc1 Amb19957512 [0,2,0,0,0,0|2,0,0]=4 731 B8R1.2 NCc1ccnnc1 Amb22405863 [0,2,0,0,0,0|2,0,0]=4 732 B8R1.2 NCc1ccnnc1 Amb8009406 [0,2,0,0,0,0|2,0,0]=4 733 B8R1.2 NCc1cnccn1 Amb10067734 [0,2,0,0,0,0|2,0,0]=4 734 B8R1.2 NCc1cnccn1 Amb10068908 [0,2,0,0,0,0|2,0,0]=4 735 B8R1.2 NCc1cnccn1 Amb33543243 [0,2,0,0,0,0|2,0,0]=4 736 B8R1.2 NCc1cnccn1 Amb8629877 [0,2,0,0,0,0|2,0,0]=4 737 B8R1.2 NCc1cncnc1 Amb22899160 [0,2,0,0,0,0|2,0,0]=4 738 B8R1.2 NCc1cncnc1 Amb33716254 [0,2,0,0,0,0|2,0,0]=4 739 B8R1.2 NCc1cncnc1 Amb5492751 [0,2,0,0,0,0|2,0,0]=4 740 B8R1.2 NCc1ncccn1 Amb10068909 [0,2,0,0,0,0|2,0,0]=4 741 B8R1.2 NCc1ncccn1 Amb1139642 [0,2,0,0,0,0|2,0,0]=4 742 B8R1.2 NCc1ncccn1 Amb33533773 [0,2,0,0,0,0|2,0,0]=4 743 B8R1.2 NCc1ncccn1 Amb33549601 [0,2,0,0,0,0|2,0,0]=4 744 B8R1.2 NNc1ccccc1 Amb22002446 [0,2,0,0,0,0|0,0,0]=2 745 B8R1.2 NNc1ccccc1 Amb2793062 [0,2,0,0,0,0|0,0,0]=2 746 B8R1.2 NNc1ccccc1 Amb8513467 [0,2,0,0,0,0|0,0,0]=2 747 B8R1.2 NNc1ccccn1 Amb1104567 [0,2,0,0,0,0|1,0,0]=3 748 B8R1.2 NNc1ccccn1 Amb6297231 [0,2,0,0,0,0|1,0,0]=3 749 B8R1.2 NNc1cccnc1 Amb10177783 [0,2,0,0,0,0|1,0,0]=3 750 B8R1.2 NNc1cccnc1 Amb16192849 [0,2,0,0,0,0|1,0,0]=3 751 B8R1.2 NNc1cccnc1 Amb2092671 [0,2,0,0,0,0|1,0,0]=3 752 B8R1.2 NNc1cccnn1 Amb16185786 [0,2,0,0,0,0|2,0,0]=4 753 B8R1.2 NNc1cccnn1 Amb16231295 [0,2,0,0,0,0|2,0,0]=4 754 B8R1.2 NNc1ccncc1 Amb32409472 [0,2,0,0,0,0|1,0,0]=3 755 B8R1.2 NNc1ccncc1 Amb5494094 [0,2,0,0,0,0|1,0,0]=3 756 B8R1.2 NNc1ccncc1 Amb6296706 [0,2,0,0,0,0|1,0,0]=3 757 B8R1.2 NNc1ccncc1 Amb6297752 [0,2,0,0,0,0|1,0,0]=3 758 B8R1.2 NNc1ccncn1 Amb22011554 [0,2,0,0,0,0|2,0,0]=4 759 B8R1.2 NNc1ccncn1 Amb22757340 [0,2,0,0,0,0|2,0,0]=4 760 B8R1.2 NNc1ccnnc1 Amb22896609 [0,2,0,0,0,0|2,0,0]=4 761 B8R1.2 NNc1ccnnc1 Amb35750211 [0,2,0,0,0,0|2,0,0]=4 762 B8R1.2 NNc1cnccn1 Amb1111598 [0,2,0,0,0,0|2,0,0]=4 763 B8R1.2 NNc1cncnc1 Amb25843840 [0,2,0,0,0,0|2,0,0]=4 764 B8R1.2 NNc1cncnc1 Amb28995292 [0,2,0,0,0,0|2,0,0]=4 765 B8R1.2 NNc1ncccn1 Amb1114665 [0,2,0,0,0,0|2,0,0]=4 766 B8R1.2 NNc1ncccn1 Amb2182937 [0,2,0,0,0,0|2,0,0]=4 767 B8R1.2 NNc1ncccn1 Amb22587655 [0,2,0,0,0,0|2,0,0]=4 768 B8R1.2 NOc1ccccc1 Amb18123833 [0,2,0,0,0,0|0,0,0]=2 769 B8R1.2 NOc1ccccc1 Amb22231364 [0,2,0,0,0,0|0,0,0]=2 770 B8R1.2 NOc1ccccn1 Amb24101187 [0,2,0,0,0,0|1,0,0]=3 771 B8R1.2 NOc1cccnc1 Amb27603515 [0,2,0,0,0,0|1,0,0]=3 772 B8R1.2 NOc1ccncc1 Amb8386473 [0,2,0,0,0,0|1,0,0]=3 773 B8R1.2 N\N=C1/C=CC=CN1 Amb22732534 [0,2,0,0,0,0|1,0,0]=3 774 B8R1.2 O=Bc1ccccc1 Amb25221658 [0,2,0,0,0,0|0,0,0]=2 775 B8R1.2 O=CC1=CC=CSC1 Amb28194907 [0,2,0,0,0,0|1,0,1]=4 776 B8R1.2 O=CC1=CCC=CO1 Amb27437201 [0,2,0,0,0,0|1,0,1]=4 777 B8R1.2 O=CC1=CNC=CC1 Amb27216667 [0,2,0,0,0,0|1,0,1]=4 778 B8R1.2 O=Cc1ccccc1 Amb2792754 [0,2,0,0,0,0|0,0,0]=2 779 B8R1.2 O=Cc1ccccn1 Amb2720349 [0,2,0,0,0,0|1,0,0]=3 780 B8R1.2 O=Cc1cccnc1 Amb2720350 [0,2,0,0,0,0|1,0,0]=3 781 B8R1.2 O=Cc1cccnn1 Amb8010287 [0,2,0,0,0,0|2,0,0]=4 782 B8R1.2 O=Cc1ccncc1 Amb932832 [0,2,0,0,0,0|1,0,0]=3 783 B8R1.2 O=Cc1ccncn1 Amb8009550 [0,2,0,0,0,0|2,0,0]=4 784 B8R1.2 O=Cc1ccnnc1 Amb8010397 [0,2,0,0,0,0|2,0,0]=4 785 B8R1.2 O=Cc1cnccn1 Amb8009498 [0,2,0,0,0,0|2,0,0]=4 786 B8R1.2 O=Cc1cncnc1 Amb2235993 [0,2,0,0,0,0|2,0,0]=4 787 B8R1.2 O=Cc1ncccn1 Amb8010587 [0,2,0,0,0,0|2,0,0]=4 788 B8R1.2 O=Nc1ccccc1 Amb9785158 [0,2,0,0,0,0|0,0,0]=2 789 B8R1.2 O=Nc1ccccn1 Amb31031129 [0,2,0,0,0,0|1,0,0]=3 790 B8R1.2 O=Nc1cccnn1 Amb27962605 [0,2,0,0,0,0|2,0,0]=4 791 B8R1.2 O=Nc1ccnnc1 Amb28368778 [0,2,0,0,0,0|2,0,0]=4 792 B8R1.2 O=[IH2]c1ccccc1 Amb15692855 [0,2,0,0,0,0|0,0,0]=2 793 B8R1.2 OCc1ccccc1 Amb3939216 [0,2,0,0,0,0|0,0,0]=2 794 B8R1.2 OCc1ccccn1 Amb16231923 [0,2,0,0,0,0|1,0,0]=3 795 B8R1.2 OCc1ccccn1 Amb2610526 [0,2,0,0,0,0|1,0,0]=3 796 B8R1.2 OCc1cccnc1 Amb2720347 [0,2,0,0,0,0|1,0,0]=3 797 B8R1.2 OCc1cccnn1 Amb5282882 [0,2,0,0,0,0|2,0,0]=4 798 B8R1.2 OCc1ccncc1 Amb24183964 [0,2,0,0,0,0|1,0,0]=3 799 B8R1.2 OCc1ccncc1 Amb2720348 [0,2,0,0,0,0|1,0,0]=3 800 B8R1.2 OCc1ccncn1 Amb7101500 [0,2,0,0,0,0|2,0,0]=4 801 B8R1.2 OCc1ccnnc1 Amb21856410 [0,2,0,0,0,0|2,0,0]=4 802 B8R1.2 OCc1cnccn1 Amb2723066 [0,2,0,0,0,0|2,0,0]=4 803 B8R1.2 OCc1cncnc1 Amb8397262 [0,2,0,0,0,0|2,0,0]=4 804 B8R1.2 OCc1ncccn1 Amb33531368 [0,2,0,0,0,0|2,0,0]=4 805 B8R1.2 ONc1ccccc1 Amb17672282 [0,2,0,0,0,0|0,0,0]=2 806 B8R1.2 ONc1cccnn1 Amb27771477 [0,2,0,0,0,0|2,0,0]=4 807 B8R1.2 ONc1ccncc1 Amb27829868 [0,2,0,0,0,0|1,0,0]=3 808 B8R1.2 ONc1ncccn1 Amb2793974 [0,2,0,0,0,0|2,0,0]=4 809 B8R1.2 SCc1ccccc1 Amb6608752 [0,2,0,0,0,0|0,0,0]=2 810 B8R1.2 SCc1ccccn1 Amb33542790 [0,2,0,0,0,0|1,0,0]=3 811 B8R1.2 SCc1cccnc1 Amb21984718 [0,2,0,0,0,0|1,0,0]=3 812 B8R1.2 SCc1cccnn1 Amb27461545 [0,2,0,0,0,0|2,0,0]=4 813 B8R1.2 SCc1ccncc1 Amb22008603 [0,2,0,0,0,0|1,0,0]=3 814 B8R1.2 SCc1ccncn1 Amb24099658 [0,2,0,0,0,0|2,0,0]=4 815 B8R1.2 SCc1cnccn1 Amb8392836 [0,2,0,0,0,0|2,0,0]=4 816 B8R1.2 SCc1cncnc1 Amb24546720 [0,2,0,0,0,0|2,0,0]=4 817 B8R1.2 SCc1ncccn1 Amb27837560 [0,2,0,0,0,0|2,0,0]=4 818 B8R1.2 [C-]#[N+]c1ccccc1 Amb1107613 [0,2,0,0,0,0|0,0,0]=2 819 B8R1.2 [C-]#[N+]c1ccccn1 Amb25840846 [0,2,0,0,0,0|1,0,0]=3 820 B8R1.2 [C-]#[N+]c1cccnc1 Amb3973078 [0,2,0,0,0,0|1,0,0]=3 821 B8R1.2 [C-]#[N+]c1ccncc1 Amb27805408 [0,2,0,0,0,0|1,0,0]=3 822 B8R1.2 [C-]#[N+]c1ccncn1 Amb33269018 [0,2,0,0,0,0|2,0,0]=4 823 B8R1.2 [C-]#[N+]c1cnccn1 Amb33359980 [0,2,0,0,0,0|2,0,0]=4 824 B8R1.2 [C-]#[N+]c1cncnc1 Amb32797403 [0,2,0,0,0,0|2,0,0]=4 825 B8R1.2 [C-]#[N+]c1ncccn1 Amb26441166 [0,2,0,0,0,0|2,0,0]=4 826 B8R1.2 [Mg+]Cc1ccccc1 Amb22043988 [0,2,0,0,0,0|0,0,0]=2 827 B8R1.2 [NH3+]Cc1ccccc1 Amb8488224 [0,2,0,0,0,0|0,0,0]=2 828 B8R1.2 [SiH3]Cc1ccccc1 Amb22347052 [0,2,0,0,0,0|0,0,0]=2 829 B8R1.3 Bc1ccc(N)cc1 Amb27254259 [0,2,0,0,0,0|0,0,0]=2 830 B8R1.3 Brc1ccc(Br)cc1 Amb17758775 [0,2,0,0,0,0|0,0,0]=2 831 B8R1.3 Brc1ccc(Br)nc1 Amb2615409 [0,2,0,0,0,0|1,0,0]=3 832 B8R1.3 Brc1ccc(Br)nn1 Amb2609463 [0,2,0,0,0,0|2,0,0]=4 833 B8R1.3 Brc1ccc(I)cc1 Amb2685277 [0,2,0,0,0,0|0,0,0]=2 834 B8R1.3 Brc1ccc(I)cn1 Amb33548840 [0,2,0,0,0,0|1,0,0]=3 835 B8R1.3 Brc1ccc(I)nc1 Amb1794233 [0,2,0,0,0,0|1,0,0]=3 836 B8R1.3 Brc1ccc(I)nn1 Amb24320668 [0,2,0,0,0,0|2,0,0]=4 837 B8R1.3 Brc1cnc(Br)cn1 Amb10067562 [0,2,0,0,0,0|2,0,0]=4 838 B8R1.3 Brc1cnc(Br)nc1 Amb13884714 [0,2,0,0,0,0|2,0,0]=4 839 B8R1.3 Brc1cnc(I)cn1 Amb8630260 [0,2,0,0,0,0|2,0,0]=4 840 B8R1.3 Brc1cnc(I)nc1 Amb8387128 [0,2,0,0,0,0|2,0,0]=4 841 B8R1.3 Brc1ncc(I)cn1 Amb25705769 [0,2,0,0,0,0|2,0,0]=4 842 B8R1.3 CC1=CNC(=O)C=C1 Amb18039971 [0,2,0,0,0,0|1,0,0]=3 843 B8R1.3 CC1=CNC(=O)C=N1 Amb22489545 [0,2,0,0,0,0|2,0,0]=4 844 B8R1.3 CC1=CNC(=O)N=C1 Amb21964512 [0,2,0,0,0,0|2,0,0]=4 845 B8R1.3 CC1=CNC(=S)C=C1 Amb22490585 [0,2,0,0,0,0|1,0,0]=3 846 B8R1.3 CC1=CNC(=S)C=N1 Amb26937573 [0,2,0,0,0,0|2,0,0]=4 847 B8R1.3 CC1=COC(=O)C=C1 Amb27595539 [0,2,0,0,0,0|1,0,0]=3 848 B8R1.3 CC1=NNC(=O)C=C1 Amb18372841 [0,2,0,0,0,0|2,0,0]=4 849 B8R1.3 CC1=NNC(=O)C=C1 Amb19373006 [0,2,0,0,0,0|2,0,0]=4 850 B8R1.3 CC1=NNC(=O)C=C1 Amb19894726 [0,2,0,0,0,0|2,0,0]=4 851 B8R1.3 CC1=NNC(=S)C=C1 Amb18038145 [0,2,0,0,0,0|2,0,0]=4 852 B8R1.3 CN1C=CC(=N)C=C1 Amb19561378 [0,2,0,0,0,0|1,0,0]=3 853 B8R1.3 CN1C=CC(N)=CC1 Amb25113880 [0,2,0,0,0,0|1,0,1]=4 854 B8R1.3 C[n+]1ccc(Br)cc1 Amb10572945 [0,2,0,0,0,0|1,0,0]=3 855 B8R1.3 C[n+]1ccc(N)cc1 Amb10573322 [0,2,0,0,0,0|1,0,0]=3 856 B8R1.3 C[n+]1ccc(N)cc1 Amb3428934 [0,2,0,0,0,0|1,0,0]=3 857 B8R1.3 Cc1cc[n+](N)cc1 Amb10552645 [0,2,0,0,0,0|1,0,0]=3 858 B8R1.3 Cc1cc[n+]([O-])cc1 Amb8394895 [0,2,0,0,0,0|1,0,0]=3 859 B8R1.3 Cc1cc[n+]([O-])cn1 Amb23437191 [0,2,0,0,0,0|2,0,0]=4 860 B8R1.3 Cc1ccc(Br)cc1 Amb2685512 [0,2,0,0,0,0|0,0,0]=2 861 B8R1.3 Cc1ccc(Br)cn1 Amb2610021 [0,2,0,0,0,0|1,0,0]=3 862 B8R1.3 Cc1ccc(Br)n[nH+]1 Amb24099879 [0,2,0,0,0,0|2,0,0]=4 863 B8R1.3 Cc1ccc(Br)nc1 Amb2691958 [0,2,0,0,0,0|1,0,0]=3 864 B8R1.3 Cc1ccc(Br)nn1 Amb8439533 [0,2,0,0,0,0|2,0,0]=4 865 B8R1.3 Cc1ccc(C)cc1 Amb6357465 [0,2,0,0,0,0|0,0,0]=2 866 B8R1.3 Cc1ccc(C)cc1 Amb6608997 [0,2,0,0,0,0|0,0,0]=2 867 B8R1.3 Cc1ccc(C)nc1 Amb8393614 [0,2,0,0,0,0|1,0,0]=3 868 B8R1.3 Cc1ccc(C)nn1 Amb22236100 [0,2,0,0,0,0|2,0,0]=4 869 B8R1.3 Cc1ccc(Cl)cc1 Amb33550129 [0,2,0,0,0,0|0,0,0]=2 870 B8R1.3 Cc1ccc(Cl)cn1 Amb5490932 [0,2,0,0,0,0|1,0,0]=3 871 B8R1.3 Cc1ccc(Cl)n[nH+]1 Amb24099954 [0,2,0,0,0,0|2,0,0]=4 872 B8R1.3 Cc1ccc(Cl)nc1 Amb2722518 [0,2,0,0,0,0|1,0,0]=3 873 B8R1.3 Cc1ccc(Cl)nn1 Amb2525829 [0,2,0,0,0,0|2,0,0]=4 874 B8R1.3 Cc1ccc(F)cc1 Amb2447473 [0,2,0,0,0,0|0,0,0]=2 875 B8R1.3 Cc1ccc(F)cn1 Amb6306445 [0,2,0,0,0,0|1,0,0]=3 876 B8R1.3 Cc1ccc(F)nc1 Amb2688233 [0,2,0,0,0,0|1,0,0]=3 877 B8R1.3 Cc1ccc(F)nn1 Amb23401885 [0,2,0,0,0,0|2,0,0]=4 878 B8R1.3 Cc1ccc(I)cc1 Amb6537943 [0,2,0,0,0,0|0,0,0]=2 879 B8R1.3 Cc1ccc(I)cn1 Amb10602945 [0,2,0,0,0,0|1,0,0]=3 880 B8R1.3 Cc1ccc(I)nc1 Amb24057144 [0,2,0,0,0,0|1,0,0]=3 881 B8R1.3 Cc1ccc(I)nn1 Amb19374181 [0,2,0,0,0,0|2,0,0]=4 882 B8R1.3 Cc1ccc(N)cc1 Amb2792847 [0,2,0,0,0,0|0,0,0]=2 883 B8R1.3 Cc1ccc(N)cc1 Amb9825674 [0,2,0,0,0,0|0,0,0]=2 884 B8R1.3 Cc1ccc(N)cn1 Amb6306437 [0,2,0,0,0,0|1,0,0]=3 885 B8R1.3 Cc1ccc(N)nc1 Amb22831186 [0,2,0,0,0,0|1,0,0]=3 886 B8R1.3 Cc1ccc(N)nc1 Amb2609947 [0,2,0,0,0,0|1,0,0]=3 887 B8R1.3 Cc1ccc(N)nn1 Amb30585086 [0,2,0,0,0,0|2,0,0]=4 888 B8R1.3 Cc1ccc(N)nn1 Amb3428569 [0,2,0,0,0,0|2,0,0]=4 889 B8R1.3 Cc1ccc(O)cc1 Amb2793057 [0,2,0,0,0,0|0,0,0]=2 890 B8R1.3 Cc1ccc(O)cn1 Amb2609944 [0,2,0,0,0,0|1,0,0]=3 891 B8R1.3 Cc1ccc(O)nc1 Amb2722524 [0,2,0,0,0,0|1,0,0]=3 892 B8R1.3 Cc1ccc(O)nc1 Amb35826776 [0,2,0,0,0,0|1,0,0]=3 893 B8R1.3 Cc1ccc(O)nn1 Amb2794468 [0,2,0,0,0,0|2,0,0]=4 894 B8R1.3 Cc1ccc(P)cc1 Amb27792147 [0,2,0,0,0,0|0,0,0]=2 895 B8R1.3 Cc1ccc(S)cc1 Amb2689732 [0,2,0,0,0,0|0,0,0]=2 896 B8R1.3 Cc1ccc(S)cn1 Amb24062573 [0,2,0,0,0,0|1,0,0]=3 897 B8R1.3 Cc1ccc(S)nc1 Amb1137634 [0,2,0,0,0,0|1,0,0]=3 898 B8R1.3 Cc1ccc(S)nn1 Amb33537932 [0,2,0,0,0,0|2,0,0]=4 899 B8R1.3 Cc1ccc([S-])cc1 Amb22729202 [0,2,0,0,0,0|0,0,0]=2 900 B8R1.3 Cc1ccc([S-])cn1 Amb33456950 [0,2,0,0,0,0|1,0,0]=3 901 B8R1.3 Cc1ccc([SiH3])nc1 Amb27470508 [0,2,0,0,0,0|1,0,0]=3 902 B8R1.3 Cc1ccn(=O)cc1 Amb22492616 [0,2,0,0,0,0|1,0,0]=3 903 B8R1.3 Cc1cnc(Br)cn1 Amb10599598 [0,2,0,0,0,0|2,0,0]=4 904 B8R1.3 Cc1cnc(Br)nc1 Amb33533819 [0,2,0,0,0,0|2,0,0]=4 905 B8R1.3 Cc1cnc(C)cn1 Amb6374281 [0,2,0,0,0,0|2,0,0]=4 906 B8R1.3 Cc1cnc(C)nc1 Amb20621139 [0,2,0,0,0,0|2,0,0]=4 907 B8R1.3 Cc1cnc(Cl)cn1 Amb10067215 [0,2,0,0,0,0|2,0,0]=4 908 B8R1.3 Cc1cnc(Cl)nc1 Amb8394580 [0,2,0,0,0,0|2,0,0]=4 909 B8R1.3 Cc1cnc(F)cn1 Amb25971939 [0,2,0,0,0,0|2,0,0]=4 910 B8R1.3 Cc1cnc(F)nc1 Amb8396988 [0,2,0,0,0,0|2,0,0]=4 911 B8R1.3 Cc1cnc(I)cn1 Amb22493755 [0,2,0,0,0,0|2,0,0]=4 912 B8R1.3 Cc1cnc(I)nc1 Amb22452406 [0,2,0,0,0,0|2,0,0]=4 913 B8R1.3 Cc1cnc(N)cn1 Amb8385703 [0,2,0,0,0,0|2,0,0]=4 914 B8R1.3 Cc1cnc(N)cn1 Amb8631396 [0,2,0,0,0,0|2,0,0]=4 915 B8R1.3 Cc1cnc(N)nc1 Amb4458276 [0,2,0,0,0,0|2,0,0]=4 916 B8R1.3 Cc1cnc(O)nc1 Amb21961467 [0,2,0,0,0,0|2,0,0]=4 917 B8R1.3 Cc1cnc(O)nc1 Amb8630426 [0,2,0,0,0,0|2,0,0]=4 918 B8R1.3 Cc1cnc(S)nc1 Amb10609022 [0,2,0,0,0,0|2,0,0]=4 919 B8R1.3 Cc1cnc(S)nc1 Amb1935082 [0,2,0,0,0,0|2,0,0]=4 920 B8R1.3 Cc1ncc(Br)cn1 Amb10071186 [0,2,0,0,0,0|2,0,0]=4 921 B8R1.3 Cc1ncc(Cl)cn1 Amb10603828 [0,2,0,0,0,0|2,0,0]=4 922 B8R1.3 Cc1ncc(F)cn1 Amb21963518 [0,2,0,0,0,0|2,0,0]=4 923 B8R1.3 Cc1ncc(N)cn1 Amb33528746 [0,2,0,0,0,0|2,0,0]=4 924 B8R1.3 Cc1ncc(O)cn1 Amb8397260 [0,2,0,0,0,0|2,0,0]=4 925 B8R1.3 Clc1ccc(Br)cc1 Amb3940229 [0,2,0,0,0,0|0,0,0]=2 926 B8R1.3 Clc1ccc(Br)cn1 Amb1088769 [0,2,0,0,0,0|1,0,0]=3 927 B8R1.3 Clc1ccc(Br)nc1 Amb2609485 [0,2,0,0,0,0|1,0,0]=3 928 B8R1.3 Clc1ccc(Br)nn1 Amb10599245 [0,2,0,0,0,0|2,0,0]=4 929 B8R1.3 Clc1ccc(Cl)cc1 Amb6608826 [0,2,0,0,0,0|0,0,0]=2 930 B8R1.3 Clc1ccc(Cl)nc1 Amb3939994 [0,2,0,0,0,0|1,0,0]=3 931 B8R1.3 Clc1ccc(Cl)nn1 Amb2686970 [0,2,0,0,0,0|2,0,0]=4 932 B8R1.3 Clc1ccc(I)cc1 Amb2686130 [0,2,0,0,0,0|0,0,0]=2 933 B8R1.3 Clc1ccc(I)cn1 Amb1088772 [0,2,0,0,0,0|1,0,0]=3 934 B8R1.3 Clc1ccc(I)nc1 Amb8396772 [0,2,0,0,0,0|1,0,0]=3 935 B8R1.3 Clc1ccc(I)nn1 Amb8630866 [0,2,0,0,0,0|2,0,0]=4 936 B8R1.3 Clc1cnc(Br)cn1 Amb10071604 [0,2,0,0,0,0|2,0,0]=4 937 B8R1.3 Clc1cnc(Br)nc1 Amb19888117 [0,2,0,0,0,0|2,0,0]=4 938 B8R1.3 Clc1cnc(Cl)cn1 Amb4449855 [0,2,0,0,0,0|2,0,0]=4 939 B8R1.3 Clc1cnc(Cl)nc1 Amb6298014 [0,2,0,0,0,0|2,0,0]=4 940 B8R1.3 Clc1cnc(I)cn1 Amb19957536 [0,2,0,0,0,0|2,0,0]=4 941 B8R1.3 Clc1cnc(I)nc1 Amb8396062 [0,2,0,0,0,0|2,0,0]=4 942 B8R1.3 Clc1ncc(Br)cn1 Amb2447331 [0,2,0,0,0,0|2,0,0]=4 943 B8R1.3 Clc1ncc(I)cn1 Amb8439543 [0,2,0,0,0,0|2,0,0]=4 944 B8R1.3 FC1=NNC(=S)C=C1 Amb22388266 [0,2,0,0,0,0|2,0,0]=4 945 B8R1.3 Fc1ccc(Br)cc1 Amb2685184 [0,2,0,0,0,0|0,0,0]=2 946 B8R1.3 Fc1ccc(Br)cn1 Amb2447411 [0,2,0,0,0,0|1,0,0]=3 947 B8R1.3 Fc1ccc(Br)nc1 Amb2447410 [0,2,0,0,0,0|1,0,0]=3 948 B8R1.3 Fc1ccc(Br)nn1 Amb20618416 [0,2,0,0,0,0|2,0,0]=4 949 B8R1.3 Fc1ccc(Cl)cc1 Amb2685938 [0,2,0,0,0,0|0,0,0]=2 950 B8R1.3 Fc1ccc(Cl)cn1 Amb8383904 [0,2,0,0,0,0|1,0,0]=3 951 B8R1.3 Fc1ccc(Cl)nc1 Amb2691960 [0,2,0,0,0,0|1,0,0]=3 952 B8R1.3 Fc1ccc(Cl)nn1 Amb22388694 [0,2,0,0,0,0|2,0,0]=4 953 B8R1.3 Fc1ccc(F)cc1 Amb2687053 [0,2,0,0,0,0|0,0,0]=2 954 B8R1.3 Fc1ccc(F)nc1 Amb15691012 [0,2,0,0,0,0|1,0,0]=3 955 B8R1.3 Fc1ccc(F)nn1 Amb8629956 [0,2,0,0,0,0|2,0,0]=4 956 B8R1.3 Fc1ccc(I)cc1 Amb2688123 [0,2,0,0,0,0|0,0,0]=2 957 B8R1.3 Fc1ccc(I)cn1 Amb1084266 [0,2,0,0,0,0|1,0,0]=3 958 B8R1.3 Fc1ccc(I)nc1 Amb15691013 [0,2,0,0,0,0|1,0,0]=3 959 B8R1.3 Fc1ccc(I)nn1 Amb24610871 [0,2,0,0,0,0|2,0,0]=4 960 B8R1.3 Fc1ccc(S)cc1 Amb10838800 [0,2,0,0,0,0|0,0,0]=2 961 B8R1.3 Fc1ccc(S)cc1 Amb2688425 [0,2,0,0,0,0|0,0,0]=2 962 B8R1.3 Fc1ccc(S)cn1 Amb25724347 [0,2,0,0,0,0|1,0,0]=3 963 B8R1.3 Fc1ccc(S)nc1 Amb24696289 [0,2,0,0,0,0|1,0,0]=3 964 B8R1.3 Fc1ccc([Mg+])cc1 Amb22043963 [0,2,0,0,0,0|0,0,0]=2 965 B8R1.3 Fc1cnc(Br)cn1 Amb20618552 [0,2,0,0,0,0|2,0,0]=4 966 B8R1.3 Fc1cnc(Br)nc1 Amb10067795 [0,2,0,0,0,0|2,0,0]=4 967 B8R1.3 Fc1cnc(Cl)cn1 Amb10599249 [0,2,0,0,0,0|2,0,0]=4 968 B8R1.3 Fc1cnc(Cl)nc1 Amb10067268 [0,2,0,0,0,0|2,0,0]=4 969 B8R1.3 Fc1cnc(F)cn1 Amb23401789 [0,2,0,0,0,0|2,0,0]=4 970 B8R1.3 Fc1cnc(F)nc1 Amb24097054 [0,2,0,0,0,0|2,0,0]=4 971 B8R1.3 Fc1cnc(I)nc1 Amb24412518 [0,2,0,0,0,0|2,0,0]=4 972 B8R1.3 Fc1ncc(Br)cn1 Amb2455750 [0,2,0,0,0,0|2,0,0]=4 973 B8R1.3 Fc1ncc(Cl)cn1 Amb22499635 [0,2,0,0,0,0|2,0,0]=4 974 B8R1.3 Fc1ncc(I)cn1 Amb21857990 [0,2,0,0,0,0|2,0,0]=4 975 B8R1.3 Ic1ccc(I)cc1 Amb6608925 [0,2,0,0,0,0|0,0,0]=2 976 B8R1.3 Ic1ccc(I)nc1 Amb2609493 [0,2,0,0,0,0|1,0,0]=3 977 B8R1.3 Ic1ccc(I)nn1 Amb2780400 [0,2,0,0,0,0|2,0,0]=4 978 B8R1.3 Ic1cnc(I)cn1 Amb24320745 [0,2,0,0,0,0|2,0,0]=4 979 B8R1.3 Ic1cnc(I)nc1 Amb24323026 [0,2,0,0,0,0|2,0,0]=4 980 B8R1.3 N=C1C=CC(=N)C=C1 Amb22730871 [0,2,0,0,0,0|0,0,0]=2 981 B8R1.3 N=C1C=CN(O)C=C1 Amb24113163 [0,2,0,0,0,0|1,0,0]=3 982 B8R1.3 NC1=CNC(=O)C=C1 Amb19958325 [0,2,0,0,0,0|1,0,0]=3 983 B8R1.3 NC1=NNC(=O)C=C1 Amb18124225 [0,2,0,0,0,0|2,0,0]=4 984 B8R1.3 NC1=NNC(=O)C=C1 Amb24271086 [0,2,0,0,0,0|2,0,0]=4 985 B8R1.3 Nc1cc[n+]([O-])cc1 Amb17506866 [0,2,0,0,0,0|1,0,0]=3 986 B8R1.3 Nc1cc[n+]([O-])cc1 Amb31284005 [0,2,0,0,0,0|1,0,0]=3 987 B8R1.3 Nc1cc[n+]([O-])cn1 Amb27964391 [0,2,0,0,0,0|2,0,0]=4 988 B8R1.3 Nc1ccc(Br)cc1 Amb6364741 [0,2,0,0,0,0|0,0,0]=2 989 B8R1.3 Nc1ccc(Br)cn1 Amb1353208 [0,2,0,0,0,0|1,0,0]=3 990 B8R1.3 Nc1ccc(Br)cn1 Amb18090795 [0,2,0,0,0,0|1,0,0]=3 991 B8R1.3 Nc1ccc(Br)nc1 Amb1073022 [0,2,0,0,0,0|1,0,0]=3 992 B8R1.3 Nc1ccc(Br)nn1 Amb2724939 [0,2,0,0,0,0|2,0,0]=4 993 B8R1.3 Nc1ccc(Cl)cc1 Amb1935181 [0,2,0,0,0,0|0,0,0]=2 994 B8R1.3 Nc1ccc(Cl)cn1 Amb2227699 [0,2,0,0,0,0|1,0,0]=3 995 B8R1.3 Nc1ccc(Cl)nc1 Amb535785 [0,2,0,0,0,0|1,0,0]=3 996 B8R1.3 Nc1ccc(Cl)nn1 Amb1152568 [0,2,0,0,0,0|2,0,0]=4 997 B8R1.3 Nc1ccc(F)cc1 Amb2688013 [0,2,0,0,0,0|0,0,0]=2 998 B8R1.3 Nc1ccc(F)cn1 Amb1086331 [0,2,0,0,0,0|1,0,0]=3 999 B8R1.3 Nc1ccc(F)nc1 Amb2612060 [0,2,0,0,0,0|1,0,0]=3 1000 B8R1.3 Nc1ccc(F)nn1 Amb10067581 [0,2,0,0,0,0|2,0,0]=4 1001 B8R1.3 Nc1ccc(I)cc1 Amb6543392 [0,2,0,0,0,0|0,0,0]=2 1002 B8R1.3 Nc1ccc(I)cn1 Amb1784469 [0,2,0,0,0,0|1,0,0]=3 1003 B8R1.3 Nc1ccc(I)nc1 Amb1147296 [0,2,0,0,0,0|1,0,0]=3 1004 B8R1.3 Nc1ccc(I)nn1 Amb13883812 [0,2,0,0,0,0|2,0,0]=4 1005 B8R1.3 Nc1ccc(I)nn1 Amb33622589 [0,2,0,0,0,0|2,0,0]=4 1006 B8R1.3 Nc1ccc(N)cc1 Amb20621980 [0,2,0,0,0,0|0,0,0]=2 1007 B8R1.3 Nc1ccc(N)cc1 Amb2725554 [0,2,0,0,0,0|0,0,0]=2 1008 B8R1.3 Nc1ccc(N)cc1 Amb6365692 [0,2,0,0,0,0|0,0,0]=2 1009 B8R1.3 Nc1ccc(N)nc1 Amb19958409 [0,2,0,0,0,0|1,0,0]=3 1010 B8R1.3 Nc1ccc(N)nc1 Amb2609933 [0,2,0,0,0,0|1,0,0]=3 1011 B8R1.3 Nc1ccc(N)nn1 Amb10067596 [0,2,0,0,0,0|2,0,0]=4 1012 B8R1.3 Nc1ccc(N)nn1 Amb22489557 [0,2,0,0,0,0|2,0,0]=4 1013 B8R1.3 Nc1ccc(O)cc1 Amb22732595 [0,2,0,0,0,0|0,0,0]=2 1014 B8R1.3 Nc1ccc(O)cc1 Amb6456547 [0,2,0,0,0,0|0,0,0]=2 1015 B8R1.3 Nc1ccc(O)cc1 Amb8516484 [0,2,0,0,0,0|0,0,0]=2 1016 B8R1.3 Nc1ccc(O)cc1 Amb8629248 [0,2,0,0,0,0|0,0,0]=2 1017 B8R1.3 Nc1ccc(O)cn1 Amb19894703 [0,2,0,0,0,0|1,0,0]=3 1018 B8R1.3 Nc1ccc(O)cn1 Amb22304742 [0,2,0,0,0,0|1,0,0]=3 1019 B8R1.3 Nc1ccc(O)cn1 Amb2699118 [0,2,0,0,0,0|1,0,0]=3 1020 B8R1.3 Nc1ccc(O)nc1 Amb2610801 [0,2,0,0,0,0|1,0,0]=3 1021 B8R1.3 Nc1ccc(O)nc1 Amb8631698 [0,2,0,0,0,0|1,0,0]=3 1022 B8R1.3 Nc1ccc(O)nn1 Amb18943976 [0,2,0,0,0,0|2,0,0]=4 1023 B8R1.3 Nc1ccc(O)nn1 Amb33537423 [0,2,0,0,0,0|2,0,0]=4 1024 B8R1.3 Nc1ccc(S)cc1 Amb6297793 [0,2,0,0,0,0|0,0,0]=2 1025 B8R1.3 Nc1ccc(S)cn1 Amb2567500 [0,2,0,0,0,0|1,0,0]=3 1026 B8R1.3 Nc1ccc(S)nc1 Amb8386689 [0,2,0,0,0,0|1,0,0]=3 1027 B8R1.3 Nc1cnc(Br)cn1 Amb2694930 [0,2,0,0,0,0|2,0,0]=4 1028 B8R1.3 Nc1cnc(Br)nc1 Amb10602821 [0,2,0,0,0,0|2,0,0]=4 1029 B8R1.3 Nc1cnc(Cl)cn1 Amb10067206 [0,2,0,0,0,0|2,0,0]=4 1030 B8R1.3 Nc1cnc(Cl)nc1 Amb10067614 [0,2,0,0,0,0|2,0,0]=4 1031 B8R1.3 Nc1cnc(F)nc1 Amb18641719 [0,2,0,0,0,0|2,0,0]=4 1032 B8R1.3 Nc1cnc(I)cn1 Amb19957532 [0,2,0,0,0,0|2,0,0]=4 1033 B8R1.3 Nc1cnc(I)nc1 Amb28185909 [0,2,0,0,0,0|2,0,0]=4 1034 B8R1.3 Nc1cnc(N)cn1 Amb19516034 [0,2,0,0,0,0|2,0,0]=4 1035 B8R1.3 Nc1cnc(N)cn1 Amb22436787 [0,2,0,0,0,0|2,0,0]=4 1036 B8R1.3 Nc1cnc(N)nc1 Amb2223199 [0,2,0,0,0,0|2,0,0]=4 1037 B8R1.3 Nc1cnc(O)cn1 Amb10599609 [0,2,0,0,0,0|2,0,0]=4 1038 B8R1.3 Nc1cnc(O)nc1 Amb18941527 [0,2,0,0,0,0|2,0,0]=4 1039 B8R1.3 Nc1ncc(Br)cn1 Amb837049 [0,2,0,0,0,0|2,0,0]=4 1040 B8R1.3 Nc1ncc(Cl)cn1 Amb2227684 [0,2,0,0,0,0|2,0,0]=4 1041 B8R1.3 Nc1ncc(F)cn1 Amb10603549 [0,2,0,0,0,0|2,0,0]=4 1042 B8R1.3 Nc1ncc(I)cn1 Amb3939619 [0,2,0,0,0,0|2,0,0]=4 1043 B8R1.3 Nc1ncc(O)cn1 Amb8397252 [0,2,0,0,0,0|2,0,0]=4 1044 B8R1.3 O=C1C=CC(=O)C=C1 Amb6600120 [0,2,0,0,0,0|0,0,0]=2 1045 B8R1.3 O=C1C=CC(=O)C=C1 Amb8516773 [0,2,0,0,0,0|0,0,0]=2 1046 B8R1.3 O=C1C=CC(=O)N=N1 Amb22498641 [0,2,0,0,0,0|2,0,0]=4 1047 B8R1.3 O=C1C=CC(=O)NN1 Amb19651991 [0,2,0,0,0,0|2,0,0]=4 1048 B8R1.3 O=C1C=CC(Br)=CN1 Amb18010721 [0,2,0,0,0,0|1,0,0]=3 1049 B8R1.3 O=C1C=CC(Br)=NN1 Amb22491266 [0,2,0,0,0,0|2,0,0]=4 1050 B8R1.3 O=C1C=CC(Cl)=CN1 Amb18039972 [0,2,0,0,0,0|1,0,0]=3 1051 B8R1.3 O=C1C=CC(Cl)=CO1 Amb20247269 [0,2,0,0,0,0|1,0,0]=3 1052 B8R1.3 O=C1C=CC(Cl)=NN1 Amb19148928 [0,2,0,0,0,0|2,0,0]=4 1053 B8R1.3 O=C1C=CC(F)=CN1 Amb18040570 [0,2,0,0,0,0|1,0,0]=3 1054 B8R1.3 O=C1C=CC(F)=NN1 Amb22387070 [0,2,0,0,0,0|2,0,0]=4 1055 B8R1.3 O=C1C=CC(F)C=C1 Amb28124983 [0,2,0,0,0,0|0,0,1]=3 1056 B8R1.3 O=C1C=CC(I)=CN1 Amb22001395 [0,2,0,0,0,0|1,0,0]=3 1057 B8R1.3 O=C1C=CC(I)=CO1 Amb20247268 [0,2,0,0,0,0|1,0,0]=3 1058 B8R1.3 O=C1C=CC(I)=NN1 Amb24445162 [0,2,0,0,0,0|2,0,0]=4 1059 B8R1.3 O=C1C=CC(O)=CN1 Amb19889905 [0,2,0,0,0,0|1,0,0]=3 1060 B8R1.3 O=C1C=CC(O)=NN1 Amb22058718 [0,2,0,0,0,0|2,0,0]=4 1061 B8R1.3 O=C1C=CN(O)C=C1 Amb24608607 [0,2,0,0,0,0|1,0,0]=3 1062 B8R1.3 O=C1C=NC(F)=CN1 Amb22388305 [0,2,0,0,0,0|2,0,0]=4 1063 B8R1.3 O=C1C=NC(S)=CN1 Amb27668199 [0,2,0,0,0,0|2,0,0]=4 1064 B8R1.3 O=C1N=CC(Br)=CN1 Amb19895337 [0,2,0,0,0,0|2,0,0]=4 1065 B8R1.3 O=C1N=CC(Br)=CN1 Amb21857588 [0,2,0,0,0,0|2,0,0]=4 1066 B8R1.3 O=C1N=CC(Cl)=CN1 Amb20239358 [0,2,0,0,0,0|2,0,0]=4 1067 B8R1.3 O=C1N=CC(I)=CN1 Amb22388529 [0,2,0,0,0,0|2,0,0]=4 1068 B8R1.3 O=c1ccc(Br)co1 Amb22231971 [0,2,0,0,0,0|1,0,0]=3 1069 B8R1.3 O=n1ccc(Cl)cc1 Amb20620849 [0,2,0,0,0,0|1,0,0]=3 1070 B8R1.3 Oc1ccc(Br)cc1 Amb2685387 [0,2,0,0,0,0|0,0,0]=2 1071 B8R1.3 Oc1ccc(Br)cn1 Amb6366091 [0,2,0,0,0,0|1,0,0]=3 1072 B8R1.3 Oc1ccc(Br)nc1 Amb8386698 [0,2,0,0,0,0|1,0,0]=3 1073 B8R1.3 Oc1ccc(Br)nn1 Amb10599725 [0,2,0,0,0,0|2,0,0]=4 1074 B8R1.3 Oc1ccc(Cl)cc1 Amb2793047 [0,2,0,0,0,0|0,0,0]=2 1075 B8R1.3 Oc1ccc(Cl)cn1 Amb2795178 [0,2,0,0,0,0|1,0,0]=3 1076 B8R1.3 Oc1ccc(Cl)nc1 Amb2612341 [0,2,0,0,0,0|1,0,0]=3 1077 B8R1.3 Oc1ccc(Cl)nn1 Amb9214994 [0,2,0,0,0,0|2,0,0]=4 1078 B8R1.3 Oc1ccc(F)cc1 Amb2688292 [0,2,0,0,0,0|0,0,0]=2 1079 B8R1.3 Oc1ccc(F)cn1 Amb32729351 [0,2,0,0,0,0|1,0,0]=3 1080 B8R1.3 Oc1ccc(F)cn1 Amb8393030 [0,2,0,0,0,0|1,0,0]=3 1081 B8R1.3 Oc1ccc(F)nc1 Amb8394587 [0,2,0,0,0,0|1,0,0]=3 1082 B8R1.3 Oc1ccc(I)cc1 Amb4605825 [0,2,0,0,0,0|0,0,0]=2 1083 B8R1.3 Oc1ccc(I)cn1 Amb6565029 [0,2,0,0,0,0|1,0,0]=3 1084 B8R1.3 Oc1ccc(I)nc1 Amb8383456 [0,2,0,0,0,0|1,0,0]=3 1085 B8R1.3 Oc1ccc(O)cc1 Amb34915911 [0,2,0,0,0,0|0,0,0]=2 1086 B8R1.3 Oc1ccc(O)cc1 Amb3940928 [0,2,0,0,0,0|0,0,0]=2 1087 B8R1.3 Oc1ccc(O)nc1 Amb8438918 [0,2,0,0,0,0|1,0,0]=3 1088 B8R1.3 Oc1ccc(O)nn1 Amb1971461 [0,2,0,0,0,0|2,0,0]=4 1089 B8R1.3 Oc1ccc(P)cc1 Amb27974686 [0,2,0,0,0,0|0,0,0]=2 1090 B8R1.3 Oc1ccc(S)cc1 Amb6306674 [0,2,0,0,0,0|0,0,0]=2 1091 B8R1.3 Oc1ccc(S)cn1 Amb3632336 [0,2,0,0,0,0|1,0,0]=3 1092 B8R1.3 Oc1ccc(S)nc1 Amb26326885 [0,2,0,0,0,0|1,0,0]=3 1093 B8R1.3 Oc1ccc(S)nn1 Amb18642599 [0,2,0,0,0,0|2,0,0]=4 1094 B8R1.3 Oc1cnc(Br)cn1 Amb10070093 [0,2,0,0,0,0|2,0,0]=4 1095 B8R1.3 Oc1cnc(Br)nc1 Amb20617468 [0,2,0,0,0,0|2,0,0]=4 1096 B8R1.3 Oc1cnc(Cl)cn1 Amb15690617 [0,2,0,0,0,0|2,0,0]=4 1097 B8R1.3 Oc1cnc(Cl)nc1 Amb10602072 [0,2,0,0,0,0|2,0,0]=4 1098 B8R1.3 Oc1cnc(F)nc1 Amb27781092 [0,2,0,0,0,0|2,0,0]=4 1099 B8R1.3 Oc1cnc(I)cn1 Amb22496537 [0,2,0,0,0,0|2,0,0]=4 1100 B8R1.3 Oc1cnc(I)nc1 Amb26444564 [0,2,0,0,0,0|2,0,0]=4 1101 B8R1.3 Oc1cnc(O)cn1 Amb10599610 [0,2,0,0,0,0|2,0,0]=4 1102 B8R1.3 Oc1ncc(Br)cn1 Amb2455916 [0,2,0,0,0,0|2,0,0]=4 1103 B8R1.3 Oc1ncc(Cl)cn1 Amb20668359 [0,2,0,0,0,0|2,0,0]=4 1104 B8R1.3 Oc1ncc(Cl)cn1 Amb6297333 [0,2,0,0,0,0|2,0,0]=4 1105 B8R1.3 Oc1ncc(F)cn1 Amb19888513 [0,2,0,0,0,0|2,0,0]=4 1106 B8R1.3 Oc1ncc(I)cn1 Amb8439545 [0,2,0,0,0,0|2,0,0]=4 1107 B8R1.3 S=C1C=CC(Br)=NN1 Amb28351171 [0,2,0,0,0,0|2,0,0]=4 1108 B8R1.3 S=C1C=CC(Cl)=CN1 Amb22728282 [0,2,0,0,0,0|1,0,0]=3 1109 B8R1.3 S=C1C=CC(I)=CN1 Amb24636127 [0,2,0,0,0,0|1,0,0]=3 1110 B8R1.3 S=C1C=NC(Br)=CN1 Amb25981495 [0,2,0,0,0,0|2,0,0]=4 1111 B8R1.3 S=C1N=CC(Br)=CN1 Amb33551812 [0,2,0,0,0,0|2,0,0]=4 1112 B8R1.3 Sc1ccc(Br)cc1 Amb974787 [0,2,0,0,0,0|0,0,0]=2 1113 B8R1.3 Sc1ccc(Br)cn1 Amb1126340 [0,2,0,0,0,0|1,0,0]=3 1114 B8R1.3 Sc1ccc(Br)nc1 Amb28206732 [0,2,0,0,0,0|1,0,0]=3 1115 B8R1.3 Sc1ccc(Cl)cc1 Amb2686488 [0,2,0,0,0,0|0,0,0]=2 1116 B8R1.3 Sc1ccc(Cl)cn1 Amb1136127 [0,2,0,0,0,0|1,0,0]=3 1117 B8R1.3 Sc1ccc(Cl)nn1 Amb2371704 [0,2,0,0,0,0|2,0,0]=4 1118 B8R1.3 Sc1ccc(I)cc1 Amb7773588 [0,2,0,0,0,0|0,0,0]=2 1119 B8R1.3 Sc1ccc(S)cc1 Amb9820127 [0,2,0,0,0,0|0,0,0]=2 1120 B8R1.3 Sc1ccc(S)nn1 Amb10560052 [0,2,0,0,0,0|2,0,0]=4 1121 B8R1.3 Sc1ncc(Br)cn1 Amb28363865 [0,2,0,0,0,0|2,0,0]=4 1122 B8R1.3 Sc1ncc(Cl)cn1 Amb2796320 [0,2,0,0,0,0|2,0,0]=4 1123 B8R1.3 Sc1ncc(I)cn1 Amb27866585 [0,2,0,0,0,0|2,0,0]=4 1124 B8R1.3 [Mg+]c1ccc(Cl)cc1 Amb22044013 [0,2,0,0,0,0|0,0,0]=2 1125 B8R1.3 [NH3+]c1ccc([NH3+])nc1 Amb6365966 [0,2,0,0,0,0|1,0,0]=3 1126 B8R1.3 [O-][n+]1cc[n+]([O-])cc1 Amb10552403 [0,2,0,0,0,0|2,0,0]=4 1127 B8R1.3 [O-][n+]1ccc(Br)cc1 Amb2794356 [0,2,0,0,0,0|1,0,0]=3 1128 B8R1.3 [O-][n+]1ccc(Br)cn1 Amb23437591 [0,2,0,0,0,0|2,0,0]=4 1129 B8R1.3 [O-][n+]1ccc(Cl)cc1 Amb8517608 [0,2,0,0,0,0|1,0,0]=3 1130 B8R1.3 [O-][n+]1ccc(F)cc1 Amb23439373 [0,2,0,0,0,0|1,0,0]=3 1131 B8R1.3 [O-][n+]1ccc(O)cc1 Amb2610020 [0,2,0,0,0,0|1,0,0]=3 1132 B8R1.3 [O-]c1ccc(Cl)cc1 Amb22002485 [0,2,0,0,0,0|0,0,0]=2 1133 B8R1.3 [SiH3]c1ccc(Cl)cc1 Amb27251994 [0,2,0,0,0,0|0,0,0]=2 1134 B8R1.4 Bc1ccnc(F)c1 Amb28053671 [0,2,0,0,0,0|1,0,0]=3 1135 B8R1.4 Brc1cc(Br)ncn1 Amb33528212 [0,2,0,0,0,0|2,0,0]=4 1136 B8R1.4 Brc1cc(I)ccn1 Amb1088767 [0,2,0,0,0,0|1,0,0]=3 1137 B8R1.4 Brc1cc(I)ncn1 Amb24323025 [0,2,0,0,0,0|2,0,0]=4 1138 B8R1.4 Brc1cc[nH+]c(Br)c1 Amb22045290 [0,2,0,0,0,0|1,0,0]=3 1139 B8R1.4 Brc1cccc(Br)c1 Amb2686715 [0,2,0,0,0,0|0,0,0]=2 1140 B8R1.4 Brc1cccc(Br)n1 Amb2725521 [0,2,0,0,0,0|1,0,0]=3 1141 B8R1.4 Brc1cccc(I)c1 Amb2447545 [0,2,0,0,0,0|0,0,0]=2 1142 B8R1.4 Brc1cccc(I)n1 Amb10071333 [0,2,0,0,0,0|1,0,0]=3 1143 B8R1.4 Brc1ccnc(Br)c1 Amb1088773 [0,2,0,0,0,0|1,0,0]=3 1144 B8R1.4 Brc1ccnc(Br)n1 Amb10071187 [0,2,0,0,0,0|2,0,0]=4 1145 B8R1.4 Brc1ccnc(I)c1 Amb8386490 [0,2,0,0,0,0|1,0,0]=3 1146 B8R1.4 Brc1cncc(Br)c1 Amb1154154 [0,2,0,0,0,0|1,0,0]=3 1147 B8R1.4 Brc1cncc(Br)n1 Amb10599637 [0,2,0,0,0,0|2,0,0]=4 1148 B8R1.4 Brc1cncc(I)c1 Amb6565050 [0,2,0,0,0,0|1,0,0]=3 1149 B8R1.4 Brc1cncc(I)n1 Amb24320742 [0,2,0,0,0,0|2,0,0]=4 1150 B8R1.4 Brc1cnnc(Br)c1 Amb33548903 [0,2,0,0,0,0|2,0,0]=4 1151 B8R1.4 Brc1nccc(I)n1 Amb25309184 [0,2,0,0,0,0|2,0,0]=4 1152 B8R1.4 C=C1C=C(C)C=CN1 Amb24070501 [0,2,0,0,0,0|1,0,0]=3 1153 B8R1.4 C=C1C=CNC(C)=C1 Amb24084773 [0,2,0,0,0,0|1,0,0]=3 1154 B8R1.4 CC1=CC(=O)C=CN1 Amb22492433 [0,2,0,0,0,0|1,0,0]=3 1155 B8R1.4 CC1=CC(=O)C=CN1 Amb33714765 [0,2,0,0,0,0|1,0,0]=3 1156 B8R1.4 CC1=CC(=O)C=CO1 Amb22386932 [0,2,0,0,0,0|1,0,0]=3 1157 B8R1.4 CC1=CC(=O)C=NN1 Amb24501997 [0,2,0,0,0,0|2,0,0]=4 1158 B8R1.4 CC1=CC(=O)N=CN1 Amb19879021 [0,2,0,0,0,0|2,0,0]=4 1159 B8R1.4 CC1=CC(=O)NC=C1 Amb18034270 [0,2,0,0,0,0|1,0,0]=3 1160 B8R1.4 CC1=CC(=O)NC=N1 Amb19116078 [0,2,0,0,0,0|2,0,0]=4 1161 B8R1.4 CC1=CC(=O)NC=N1 Amb33621237 [0,2,0,0,0,0|2,0,0]=4 1162 B8R1.4 CC1=CC(=O)NN=C1 Amb19892393 [0,2,0,0,0,0|2,0,0]=4 1163 B8R1.4 CC1=CC(=S)C=CN1 Amb24062502 [0,2,0,0,0,0|1,0,0]=3 1164 B8R1.4 CC1=CC(=S)NC=N1 Amb18013063 [0,2,0,0,0,0|2,0,0]=4 1165 B8R1.4 CC1=CC(=S)NN=C1 Amb24370677 [0,2,0,0,0,0|2,0,0]=4 1166 B8R1.4 CC1=CC=CC(=O)N1 Amb18540672 [0,2,0,0,0,0|1,0,0]=3 1167 B8R1.4 CC1=CC=CC(=O)N1 Amb32789652 [0,2,0,0,0,0|1,0,0]=3 1168 B8R1.4 CC1=CC=CC(=O)O1 Amb20247496 [0,2,0,0,0,0|1,0,0]=3 1169 B8R1.4 CC1=CC=NC(=O)N1 Amb22371457 [0,2,0,0,0,0|2,0,0]=4 1170 B8R1.4 CC1=CC=NC(=S)N1 Amb18800681 [0,2,0,0,0,0|2,0,0]=4 1171 B8R1.4 CC1=CCC=C(C)C1 Amb22227756 [0,2,0,0,0,0|0,0,2]=4 1172 B8R1.4 CC1=CN=CC(=O)N1 Amb20240903 [0,2,0,0,0,0|2,0,0]=4 1173 B8R1.4 CC1=NC(=O)C=CN1 Amb33552640 [0,2,0,0,0,0|2,0,0]=4 1174 B8R1.4 CC1=NC(=O)NC=C1 Amb19267100 [0,2,0,0,0,0|2,0,0]=4 1175 B8R1.4 CC1=NC(=O)NC=C1 Amb22168002 [0,2,0,0,0,0|2,0,0]=4 1176 B8R1.4 CC1=NC(=S)NC=C1 Amb22727957 [0,2,0,0,0,0|2,0,0]=4 1177 B8R1.4 CC1=NC=CC(=O)N1 Amb22058797 [0,2,0,0,0,0|2,0,0]=4 1178 B8R1.4 CC1=NC=CC(=O)N1 Amb33719419 [0,2,0,0,0,0|2,0,0]=4 1179 B8R1.4 C[n+]1cccc(Br)c1 Amb10975994 [0,2,0,0,0,0|1,0,0]=3 1180 B8R1.4 C[n+]1cccc(Cl)c1 Amb2609543 [0,2,0,0,0,0|1,0,0]=3 1181 B8R1.4 C[n+]1cccc(O)c1 Amb10552608 [0,2,0,0,0,0|1,0,0]=3 1182 B8R1.4 C[n+]1cccc(O)c1 Amb10573234 [0,2,0,0,0,0|1,0,0]=3 1183 B8R1.4 C[n+]1cccc(O)c1 Amb19652047 [0,2,0,0,0,0|1,0,0]=3 1184 B8R1.4 C[n+]1cccc(O)c1 Amb32652599 [0,2,0,0,0,0|1,0,0]=3 1185 B8R1.4 C[n+]1cccc(O)c1 Amb4013611 [0,2,0,0,0,0|1,0,0]=3 1186 B8R1.4 Cc1c[n+]([O-])ccn1 Amb27614374 [0,2,0,0,0,0|2,0,0]=4 1187 B8R1.4 Cc1cc(Br)ccn1 Amb22754761 [0,2,0,0,0,0|1,0,0]=3 1188 B8R1.4 Cc1cc(Br)ccn1 Amb2447671 [0,2,0,0,0,0|1,0,0]=3 1189 B8R1.4 Cc1cc(Br)ccn1 Amb8503380 [0,2,0,0,0,0|1,0,0]=3 1190 B8R1.4 Cc1cc(Br)cnn1 Amb26594276 [0,2,0,0,0,0|2,0,0]=4 1191 B8R1.4 Cc1cc(Br)cnn1 Amb35789715 [0,2,0,0,0,0|2,0,0]=4 1192 B8R1.4 Cc1cc(Br)ncn1 Amb10600007 [0,2,0,0,0,0|2,0,0]=4 1193 B8R1.4 Cc1cc(C)ncn1 Amb8513149 [0,2,0,0,0,0|2,0,0]=4 1194 B8R1.4 Cc1cc(Cl)ccn1 Amb2686432 [0,2,0,0,0,0|1,0,0]=3 1195 B8R1.4 Cc1cc(Cl)ccn1 Amb6365914 [0,2,0,0,0,0|1,0,0]=3 1196 B8R1.4 Cc1cc(Cl)cnn1 Amb25087262 [0,2,0,0,0,0|2,0,0]=4 1197 B8R1.4 Cc1cc(Cl)ncn1 Amb2537123 [0,2,0,0,0,0|2,0,0]=4 1198 B8R1.4 Cc1cc(F)ccn1 Amb15691009 [0,2,0,0,0,0|1,0,0]=3 1199 B8R1.4 Cc1cc(F)ncn1 Amb24070267 [0,2,0,0,0,0|2,0,0]=4 1200 B8R1.4 Cc1cc(I)ccn1 Amb15691010 [0,2,0,0,0,0|1,0,0]=3 1201 B8R1.4 Cc1cc(I)ncn1 Amb24461637 [0,2,0,0,0,0|2,0,0]=4 1202 B8R1.4 Cc1cc(N)ccn1 Amb1153241 [0,2,0,0,0,0|1,0,0]=3 1203 B8R1.4 Cc1cc(N)ccn1 Amb17190918 [0,2,0,0,0,0|1,0,0]=3 1204 B8R1.4 Cc1cc(N)cnn1 Amb23440870 [0,2,0,0,0,0|2,0,0]=4 1205 B8R1.4 Cc1cc(N)cnn1 Amb28934879 [0,2,0,0,0,0|2,0,0]=4 1206 B8R1.4 Cc1cc(N)ncn1 Amb2889515 [0,2,0,0,0,0|2,0,0]=4 1207 B8R1.4 Cc1cc(O)ccn1 Amb8386833 [0,2,0,0,0,0|1,0,0]=3 1208 B8R1.4 Cc1cc(O)ncn1 Amb2591526 [0,2,0,0,0,0|2,0,0]=4 1209 B8R1.4 Cc1cc(O)ncn1 Amb33715886 [0,2,0,0,0,0|2,0,0]=4 1210 B8R1.4 Cc1cc(S)ncn1 Amb2591542 [0,2,0,0,0,0|2,0,0]=4 1211 B8R1.4 Cc1cc([S-])ccn1 Amb30585122 [0,2,0,0,0,0|1,0,0]=3 1212 B8R1.4 Cc1ccc[n+](N)c1 Amb28423948 [0,2,0,0,0,0|1,0,0]=3 1213 B8R1.4 Cc1ccc[n+]([NH-])c1 Amb27446822 [0,2,0,0,0,0|1,0,0]=3 1214 B8R1.4 Cc1ccc[n+]([O-])c1 Amb17776980 [0,2,0,0,0,0|1,0,0]=3 1215 B8R1.4 Cc1ccc[n+]([O-])n1 Amb27817004 [0,2,0,0,0,0|2,0,0]=4 1216 B8R1.4 Cc1cccc(Br)c1 Amb2685511 [0,2,0,0,0,0|0,0,0]=2 1217 B8R1.4 Cc1cccc(Br)n1 Amb2685342 [0,2,0,0,0,0|1,0,0]=3 1218 B8R1.4 Cc1cccc(C)c1 Amb6608996 [0,2,0,0,0,0|0,0,0]=2 1219 B8R1.4 Cc1cccc(C)n1 Amb22734688 [0,2,0,0,0,0|1,0,0]=3 1220 B8R1.4 Cc1cccc(C)n1 Amb2609959 [0,2,0,0,0,0|1,0,0]=3 1221 B8R1.4 Cc1cccc(Cl)c1 Amb6296593 [0,2,0,0,0,0|0,0,0]=2 1222 B8R1.4 Cc1cccc(Cl)n1 Amb3939995 [0,2,0,0,0,0|1,0,0]=3 1223 B8R1.4 Cc1cccc(F)c1 Amb2688427 [0,2,0,0,0,0|0,0,0]=2 1224 B8R1.4 Cc1cccc(F)n1 Amb2688234 [0,2,0,0,0,0|1,0,0]=3 1225 B8R1.4 Cc1cccc(I)c1 Amb2688892 [0,2,0,0,0,0|0,0,0]=2 1226 B8R1.4 Cc1cccc(I)n1 Amb16230965 [0,2,0,0,0,0|1,0,0]=3 1227 B8R1.4 Cc1cccc(N)c1 Amb2792819 [0,2,0,0,0,0|0,0,0]=2 1228 B8R1.4 Cc1cccc(N)c1 Amb4026398 [0,2,0,0,0,0|0,0,0]=2 1229 B8R1.4 Cc1cccc(N)n1 Amb1935084 [0,2,0,0,0,0|1,0,0]=3 1230 B8R1.4 Cc1cccc(O)c1 Amb3939017 [0,2,0,0,0,0|0,0,0]=2 1231 B8R1.4 Cc1cccc(O)n1 Amb2725655 [0,2,0,0,0,0|1,0,0]=3 1232 B8R1.4 Cc1cccc(S)c1 Amb2690595 [0,2,0,0,0,0|0,0,0]=2 1233 B8R1.4 Cc1cccc(S)n1 Amb17943113 [0,2,0,0,0,0|1,0,0]=3 1234 B8R1.4 Cc1cccn(=O)c1 Amb20621989 [0,2,0,0,0,0|1,0,0]=3 1235 B8R1.4 Cc1ccnc(Br)c1 Amb4476992 [0,2,0,0,0,0|1,0,0]=3 1236 B8R1.4 Cc1ccnc(Br)n1 Amb8629076 [0,2,0,0,0,0|2,0,0]=4 1237 B8R1.4 Cc1ccnc(C)c1 Amb6891936 [0,2,0,0,0,0|1,0,0]=3 1238 B8R1.4 Cc1ccnc(C)n1 Amb22491311 [0,2,0,0,0,0|2,0,0]=4 1239 B8R1.4 Cc1ccnc(Cl)c1 Amb2686244 [0,2,0,0,0,0|1,0,0]=3 1240 B8R1.4 Cc1ccnc(Cl)n1 Amb2786105 [0,2,0,0,0,0|2,0,0]=4 1241 B8R1.4 Cc1ccnc(F)c1 Amb2447353 [0,2,0,0,0,0|1,0,0]=3 1242 B8R1.4 Cc1ccnc(I)c1 Amb19930103 [0,2,0,0,0,0|1,0,0]=3 1243 B8R1.4 Cc1ccnc(I)n1 Amb22497942 [0,2,0,0,0,0|2,0,0]=4 1244 B8R1.4 Cc1ccnc(N)c1 Amb1353207 [0,2,0,0,0,0|1,0,0]=3 1245 B8R1.4 Cc1ccnc(N)n1 Amb2684479 [0,2,0,0,0,0|2,0,0]=4 1246 B8R1.4 Cc1ccnc(O)n1 Amb2717748 [0,2,0,0,0,0|2,0,0]=4 1247 B8R1.4 Cc1ccnc(O)n1 Amb8397264 [0,2,0,0,0,0|2,0,0]=4 1248 B8R1.4 Cc1ccnc(S)c1 Amb22298792 [0,2,0,0,0,0|1,0,0]=3 1249 B8R1.4 Cc1ccnc(S)n1 Amb17758427 [0,2,0,0,0,0|2,0,0]=4 1250 B8R1.4 Cc1ccnc(S)n1 Amb3467894 [0,2,0,0,0,0|2,0,0]=4 1251 B8R1.4 Cc1cncc(Br)c1 Amb21964859 [0,2,0,0,0,0|1,0,0]=3 1252 B8R1.4 Cc1cncc(Br)c1 Amb2610070 [0,2,0,0,0,0|1,0,0]=3 1253 B8R1.4 Cc1cncc(Br)n1 Amb10068364 [0,2,0,0,0,0|2,0,0]=4 1254 B8R1.4 Cc1cncc(C)c1 Amb8387099 [0,2,0,0,0,0|1,0,0]=3 1255 B8R1.4 Cc1cncc(C)n1 Amb8387600 [0,2,0,0,0,0|2,0,0]=4 1256 B8R1.4 Cc1cncc(Cl)c1 Amb10602291 [0,2,0,0,0,0|1,0,0]=3 1257 B8R1.4 Cc1cncc(Cl)n1 Amb2725017 [0,2,0,0,0,0|2,0,0]=4 1258 B8R1.4 Cc1cncc(F)c1 Amb8393037 [0,2,0,0,0,0|1,0,0]=3 1259 B8R1.4 Cc1cncc(I)c1 Amb27870759 [0,2,0,0,0,0|1,0,0]=3 1260 B8R1.4 Cc1cncc(I)n1 Amb28129757 [0,2,0,0,0,0|2,0,0]=4 1261 B8R1.4 Cc1cncc(N)c1 Amb10071116 [0,2,0,0,0,0|1,0,0]=3 1262 B8R1.4 Cc1cncc(N)c1 Amb2447680 [0,2,0,0,0,0|1,0,0]=3 1263 B8R1.4 Cc1cncc(N)n1 Amb10071574 [0,2,0,0,0,0|2,0,0]=4 1264 B8R1.4 Cc1cncc(O)c1 Amb3978939 [0,2,0,0,0,0|1,0,0]=3 1265 B8R1.4 Cc1cncc(O)n1 Amb10599623 [0,2,0,0,0,0|2,0,0]=4 1266 B8R1.4 Cc1cncc(S)c1 Amb24062447 [0,2,0,0,0,0|1,0,0]=3 1267 B8R1.4 Cc1cnnc(C)c1 Amb25244726 [0,2,0,0,0,0|2,0,0]=4 1268 B8R1.4 Cc1cnnc(Cl)c1 Amb19889581 [0,2,0,0,0,0|2,0,0]=4 1269 B8R1.4 Cc1cnnc(Cl)c1 Amb33544511 [0,2,0,0,0,0|2,0,0]=4 1270 B8R1.4 Cc1cnnc(F)c1 Amb29879742 [0,2,0,0,0,0|2,0,0]=4 1271 B8R1.4 Cc1cnnc(I)c1 Amb25960029 [0,2,0,0,0,0|2,0,0]=4 1272 B8R1.4 Cc1cnnc(N)c1 Amb33543930 [0,2,0,0,0,0|2,0,0]=4 1273 B8R1.4 Cc1cnnc(O)c1 Amb32882487 [0,2,0,0,0,0|2,0,0]=4 1274 B8R1.4 Cc1nccc(Br)n1 Amb10599356 [0,2,0,0,0,0|2,0,0]=4 1275 B8R1.4 Cc1nccc(Cl)n1 Amb19889582 [0,2,0,0,0,0|2,0,0]=4 1276 B8R1.4 Cc1nccc(Cl)n1 Amb31307748 [0,2,0,0,0,0|2,0,0]=4 1277 B8R1.4 Cc1nccc(Cl)n1 Amb33532358 [0,2,0,0,0,0|2,0,0]=4 1278 B8R1.4 Cc1nccc(I)n1 Amb33549147 [0,2,0,0,0,0|2,0,0]=4 1279 B8R1.4 Cc1nccc(N)n1 Amb19514680 [0,2,0,0,0,0|2,0,0]=4 1280 B8R1.4 Cc1nccc(N)n1 Amb4424874 [0,2,0,0,0,0|2,0,0]=4 1281 B8R1.4 Cc1nccc(O)n1 Amb34931051 [0,2,0,0,0,0|2,0,0]=4 1282 B8R1.4 Cc1nccc(O)n1 Amb5846634 [0,2,0,0,0,0|2,0,0]=4 1283 B8R1.4 Clc1cc(Br)ccn1 Amb6297075 [0,2,0,0,0,0|1,0,0]=3 1284 B8R1.4 Clc1cc(Br)cnn1 Amb20670774 [0,2,0,0,0,0|2,0,0]=4 1285 B8R1.4 Clc1cc(Br)ncn1 Amb10599309 [0,2,0,0,0,0|2,0,0]=4 1286 B8R1.4 Clc1cc(Cl)ncn1 Amb488373 [0,2,0,0,0,0|2,0,0]=4 1287 B8R1.4 Clc1cc(I)ccn1 Amb2447146 [0,2,0,0,0,0|1,0,0]=3 1288 B8R1.4 Clc1cc(I)ncn1 Amb22496104 [0,2,0,0,0,0|2,0,0]=4 1289 B8R1.4 Clc1cccc(Br)c1 Amb2684988 [0,2,0,0,0,0|0,0,0]=2 1290 B8R1.4 Clc1cccc(Br)n1 Amb8386470 [0,2,0,0,0,0|1,0,0]=3 1291 B8R1.4 Clc1cccc(Cl)c1 Amb8385421 [0,2,0,0,0,0|0,0,0]=2 1292 B8R1.4 Clc1cccc(Cl)n1 Amb2609916 [0,2,0,0,0,0|1,0,0]=3 1293 B8R1.4 Clc1cccc(I)c1 Amb2686129 [0,2,0,0,0,0|0,0,0]=2 1294 B8R1.4 Clc1cccc(I)n1 Amb6565077 [0,2,0,0,0,0|1,0,0]=3 1295 B8R1.4 Clc1ccnc(Br)c1 Amb2455915 [0,2,0,0,0,0|1,0,0]=3 1296 B8R1.4 Clc1ccnc(Br)n1 Amb13884110 [0,2,0,0,0,0|2,0,0]=4 1297 B8R1.4 Clc1ccnc(Cl)c1 Amb1088997 [0,2,0,0,0,0|1,0,0]=3 1298 B8R1.4 Clc1ccnc(Cl)n1 Amb1154662 [0,2,0,0,0,0|2,0,0]=4 1299 B8R1.4 Clc1ccnc(I)c1 Amb20248134 [0,2,0,0,0,0|1,0,0]=3 1300 B8R1.4 Clc1ccnc(I)n1 Amb25024199 [0,2,0,0,0,0|2,0,0]=4 1301 B8R1.4 Clc1cncc(Br)c1 Amb2696794 [0,2,0,0,0,0|1,0,0]=3 1302 B8R1.4 Clc1cncc(Br)n1 Amb10599628 [0,2,0,0,0,0|2,0,0]=4 1303 B8R1.4 Clc1cncc(Cl)c1 Amb8385150 [0,2,0,0,0,0|1,0,0]=3 1304 B8R1.4 Clc1cncc(Cl)n1 Amb2455791 [0,2,0,0,0,0|2,0,0]=4 1305 B8R1.4 Clc1cncc(I)c1 Amb6565104 [0,2,0,0,0,0|1,0,0]=3 1306 B8R1.4 Clc1cncc(I)n1 Amb25262810 [0,2,0,0,0,0|2,0,0]=4 1307 B8R1.4 Clc1cnnc(Cl)c1 Amb10982612 [0,2,0,0,0,0|2,0,0]=4 1308 B8R1.4 Clc1nccc(Br)n1 Amb13884111 [0,2,0,0,0,0|2,0,0]=4 1309 B8R1.4 Clc1nccc(I)n1 Amb22292152 [0,2,0,0,0,0|2,0,0]=4 1310 B8R1.4 FC1=CC=CN(Cl)N1 Amb24527704 [0,2,0,0,0,0|2,0,0]=4 1311 B8R1.4 FC1=CC=NC(=S)N1 Amb27590317 [0,2,0,0,0,0|2,0,0]=4 1312 B8R1.4 FC1=CN=CC(=S)N1 Amb22388306 [0,2,0,0,0,0|2,0,0]=4 1313 B8R1.4 Fc1cc(Br)ccn1 Amb2455787 [0,2,0,0,0,0|1,0,0]=3 1314 B8R1.4 Fc1cc(Br)ncn1 Amb20615920 [0,2,0,0,0,0|2,0,0]=4 1315 B8R1.4 Fc1cc(Cl)ccn1 Amb13884059 [0,2,0,0,0,0|1,0,0]=3 1316 B8R1.4 Fc1cc(Cl)ncn1 Amb10067303 [0,2,0,0,0,0|2,0,0]=4 1317 B8R1.4 Fc1cc(F)ncn1 Amb10839561 [0,2,0,0,0,0|2,0,0]=4 1318 B8R1.4 Fc1cc(I)ccn1 Amb2455816 [0,2,0,0,0,0|1,0,0]=3 1319 B8R1.4 Fc1cc(I)ncn1 Amb24537069 [0,2,0,0,0,0|2,0,0]=4 1320 B8R1.4 Fc1cc(S)ccn1 Amb26416447 [0,2,0,0,0,0|1,0,0]=3 1321 B8R1.4 Fc1cccc(Br)c1 Amb2685183 [0,2,0,0,0,0|0,0,0]=2 1322 B8R1.4 Fc1cccc(Br)n1 Amb2455909 [0,2,0,0,0,0|1,0,0]=3 1323 B8R1.4 Fc1cccc(Cl)c1 Amb2685937 [0,2,0,0,0,0|0,0,0]=2 1324 B8R1.4 Fc1cccc(Cl)n1 Amb8396767 [0,2,0,0,0,0|1,0,0]=3 1325 B8R1.4 Fc1cccc(F)c1 Amb2687052 [0,2,0,0,0,0|0,0,0]=2 1326 B8R1.4 Fc1cccc(F)n1 Amb2687277 [0,2,0,0,0,0|1,0,0]=3 1327 B8R1.4 Fc1cccc(I)c1 Amb2688122 [0,2,0,0,0,0|0,0,0]=2 1328 B8R1.4 Fc1cccc(I)n1 Amb24056006 [0,2,0,0,0,0|1,0,0]=3 1329 B8R1.4 Fc1cccc(S)c1 Amb2688424 [0,2,0,0,0,0|0,0,0]=2 1330 B8R1.4 Fc1cccc(S)n1 Amb25238819 [0,2,0,0,0,0|1,0,0]=3 1331 B8R1.4 Fc1cccc([Mg+])c1 Amb21618833 [0,2,0,0,0,0|0,0,0]=2 1332 B8R1.4 Fc1ccnc(Br)c1 Amb8396775 [0,2,0,0,0,0|1,0,0]=3 1333 B8R1.4 Fc1ccnc(Br)n1 Amb20618448 [0,2,0,0,0,0|2,0,0]=4 1334 B8R1.4 Fc1ccnc(Cl)c1 Amb1088996 [0,2,0,0,0,0|1,0,0]=3 1335 B8R1.4 Fc1ccnc(F)c1 Amb8388363 [0,2,0,0,0,0|1,0,0]=3 1336 B8R1.4 Fc1ccnc(F)n1 Amb2691921 [0,2,0,0,0,0|2,0,0]=4 1337 B8R1.4 Fc1ccnc(I)n1 Amb26573182 [0,2,0,0,0,0|2,0,0]=4 1338 B8R1.4 Fc1ccnc(S)c1 Amb24332692 [0,2,0,0,0,0|1,0,0]=3 1339 B8R1.4 Fc1cncc(Br)c1 Amb2447544 [0,2,0,0,0,0|1,0,0]=3 1340 B8R1.4 Fc1cncc(Br)n1 Amb20618548 [0,2,0,0,0,0|2,0,0]=4 1341 B8R1.4 Fc1cncc(Cl)c1 Amb15691042 [0,2,0,0,0,0|1,0,0]=3 1342 B8R1.4 Fc1cncc(F)c1 Amb6297625 [0,2,0,0,0,0|1,0,0]=3 1343 B8R1.4 Fc1cncc(F)n1 Amb21961620 [0,2,0,0,0,0|2,0,0]=4 1344 B8R1.4 Fc1cncc(I)c1 Amb6565120 [0,2,0,0,0,0|1,0,0]=3 1345 B8R1.4 Fc1cncc(I)n1 Amb21961558 [0,2,0,0,0,0|2,0,0]=4 1346 B8R1.4 Fc1cncc(S)c1 Amb28141866 [0,2,0,0,0,0|1,0,0]=3 1347 B8R1.4 Fc1nccc(Br)n1 Amb20242091 [0,2,0,0,0,0|2,0,0]=4 1348 B8R1.4 Fc1nccc(Cl)n1 Amb22276512 [0,2,0,0,0,0|2,0,0]=4 1349 B8R1.4 Fc1nccc(I)n1 Amb26639398 [0,2,0,0,0,0|2,0,0]=4 1350 B8R1.4 Ic1cc(I)ncn1 Amb2455912 [0,2,0,0,0,0|2,0,0]=4 1351 B8R1.4 Ic1cccc(I)c1 Amb2687312 [0,2,0,0,0,0|0,0,0]=2 1352 B8R1.4 Ic1cccc(I)n1 Amb6565069 [0,2,0,0,0,0|1,0,0]=3 1353 B8R1.4 Ic1ccnc(I)c1 Amb10602540 [0,2,0,0,0,0|1,0,0]=3 1354 B8R1.4 Ic1ccnc(I)n1 Amb16231000 [0,2,0,0,0,0|2,0,0]=4 1355 B8R1.4 Ic1cncc(I)c1 Amb4057230 [0,2,0,0,0,0|1,0,0]=3 1356 B8R1.4 Ic1cncc(I)n1 Amb2455937 [0,2,0,0,0,0|2,0,0]=4 1357 B8R1.4 N=C1C=CNC(=O)N1 Amb22522784 [0,2,0,0,0,0|2,0,0]=4 1358 B8R1.4 NC1=CC(=O)N=CN1 Amb22489480 [0,2,0,0,0,0|2,0,0]=4 1359 B8R1.4 NC1=CC(=O)NC=C1 Amb18641608 [0,2,0,0,0,0|1,0,0]=3 1360 B8R1.4 NC1=CC(=O)NC=C1 Amb33716235 [0,2,0,0,0,0|1,0,0]=3 1361 B8R1.4 NC1=CC(=O)NN=C1 Amb18641633 [0,2,0,0,0,0|2,0,0]=4 1362 B8R1.4 NC1=CC(=S)NC=N1 Amb18523140 [0,2,0,0,0,0|2,0,0]=4 1363 B8R1.4 NC1=CC=CC(=O)N1 Amb18641610 [0,2,0,0,0,0|1,0,0]=3 1364 B8R1.4 NC1=CC=CC(=S)N1 Amb23440527 [0,2,0,0,0,0|1,0,0]=3 1365 B8R1.4 NC1=CC=NC(=O)N1 Amb20239413 [0,2,0,0,0,0|2,0,0]=4 1366 B8R1.4 NC1=NC(=O)C=CN1 Amb21951843 [0,2,0,0,0,0|2,0,0]=4 1367 B8R1.4 NC1=NC(=O)NC=C1 Amb18511886 [0,2,0,0,0,0|2,0,0]=4 1368 B8R1.4 NC1=NC(=S)NC=C1 Amb21683243 [0,2,0,0,0,0|2,0,0]=4 1369 B8R1.4 NC1=NC=CC(=O)N1 Amb18278001 [0,2,0,0,0,0|2,0,0]=4 1370 B8R1.4 N[n+]1cccc(I)c1 Amb27162167 [0,2,0,0,0,0|1,0,0]=3 1371 B8R1.4 Nc1cc(Br)ccn1 Amb22831299 [0,2,0,0,0,0|1,0,0]=3 1372 B8R1.4 Nc1cc(Br)ccn1 Amb2540669 [0,2,0,0,0,0|1,0,0]=3 1373 B8R1.4 Nc1cc(Br)cnn1 Amb22263100 [0,2,0,0,0,0|2,0,0]=4 1374 B8R1.4 Nc1cc(Br)ncn1 Amb10600056 [0,2,0,0,0,0|2,0,0]=4 1375 B8R1.4 Nc1cc(Cl)ccn1 Amb22493978 [0,2,0,0,0,0|1,0,0]=3 1376 B8R1.4 Nc1cc(Cl)ccn1 Amb2610815 [0,2,0,0,0,0|1,0,0]=3 1377 B8R1.4 Nc1cc(Cl)cnn1 Amb18124329 [0,2,0,0,0,0|2,0,0]=4 1378 B8R1.4 Nc1cc(Cl)ncn1 Amb844749 [0,2,0,0,0,0|2,0,0]=4 1379 B8R1.4 Nc1cc(F)ccn1 Amb16230409 [0,2,0,0,0,0|1,0,0]=3 1380 B8R1.4 Nc1cc(F)ccn1 Amb28854821 [0,2,0,0,0,0|1,0,0]=3 1381 B8R1.4 Nc1cc(F)ncn1 Amb16204889 [0,2,0,0,0,0|2,0,0]=4 1382 B8R1.4 Nc1cc(I)ccn1 Amb8629875 [0,2,0,0,0,0|1,0,0]=3 1383 B8R1.4 Nc1cc(I)ncn1 Amb19957612 [0,2,0,0,0,0|2,0,0]=4 1384 B8R1.4 Nc1cc(N)ncn1 Amb22369069 [0,2,0,0,0,0|2,0,0]=4 1385 B8R1.4 Nc1cc(N)ncn1 Amb24100882 [0,2,0,0,0,0|2,0,0]=4 1386 B8R1.4 Nc1cc(N)ncn1 Amb2591545 [0,2,0,0,0,0|2,0,0]=4 1387 B8R1.4 Nc1cc(O)ccn1 Amb21864971 [0,2,0,0,0,0|1,0,0]=3 1388 B8R1.4 Nc1cc(O)ccn1 Amb2697549 [0,2,0,0,0,0|1,0,0]=3 1389 B8R1.4 Nc1cc(O)cnn1 Amb27169669 [0,2,0,0,0,0|2,0,0]=4 1390 B8R1.4 Nc1cc(O)ncn1 Amb2591552 [0,2,0,0,0,0|2,0,0]=4 1391 B8R1.4 Nc1ccc[n+]([O-])c1 Amb10576561 [0,2,0,0,0,0|1,0,0]=3 1392 B8R1.4 Nc1ccc[n+]([O-])c1 Amb32409824 [0,2,0,0,0,0|1,0,0]=3 1393 B8R1.4 Nc1cccc(Br)[nH+]1 Amb33513100 [0,2,0,0,0,0|1,0,0]=3 1394 B8R1.4 Nc1cccc(Br)c1 Amb2684945 [0,2,0,0,0,0|0,0,0]=2 1395 B8R1.4 Nc1cccc(Br)n1 Amb2609453 [0,2,0,0,0,0|1,0,0]=3 1396 B8R1.4 Nc1cccc(Cl)c1 Amb2792822 [0,2,0,0,0,0|0,0,0]=2 1397 B8R1.4 Nc1cccc(Cl)n1 Amb2609504 [0,2,0,0,0,0|1,0,0]=3 1398 B8R1.4 Nc1cccc(F)c1 Amb2389842 [0,2,0,0,0,0|0,0,0]=2 1399 B8R1.4 Nc1cccc(F)c1 Amb2688012 [0,2,0,0,0,0|0,0,0]=2 1400 B8R1.4 Nc1cccc(F)n1 Amb2691843 [0,2,0,0,0,0|1,0,0]=3 1401 B8R1.4 Nc1cccc(I)c1 Amb1159093 [0,2,0,0,0,0|0,0,0]=2 1402 B8R1.4 Nc1cccc(I)n1 Amb6565080 [0,2,0,0,0,0|1,0,0]=3 1403 B8R1.4 Nc1cccc(N)c1 Amb16233978 [0,2,0,0,0,0|0,0,0]=2 1404 B8R1.4 Nc1cccc(N)c1 Amb2725541 [0,2,0,0,0,0|0,0,0]=2 1405 B8R1.4 Nc1cccc(N)c1 Amb3940452 [0,2,0,0,0,0|0,0,0]=2 1406 B8R1.4 Nc1cccc(N)n1 Amb2611113 [0,2,0,0,0,0|1,0,0]=3 1407 B8R1.4 Nc1cccc(O)c1 Amb6447190 [0,2,0,0,0,0|0,0,0]=2 1408 B8R1.4 Nc1cccc(O)n1 Amb24081549 [0,2,0,0,0,0|1,0,0]=3 1409 B8R1.4 Nc1cccc(O)n1 Amb33544412 [0,2,0,0,0,0|1,0,0]=3 1410 B8R1.4 Nc1cccc(S)c1 Amb32652999 [0,2,0,0,0,0|0,0,0]=2 1411 B8R1.4 Nc1cccc(S)c1 Amb535732 [0,2,0,0,0,0|0,0,0]=2 1412 B8R1.4 Nc1cccn(=O)c1 Amb17749044 [0,2,0,0,0,0|1,0,0]=3 1413 B8R1.4 Nc1ccn[n+]([O-])c1 Amb25702083 [0,2,0,0,0,0|2,0,0]=4 1414 B8R1.4 Nc1ccnc(Br)c1 Amb2455863 [0,2,0,0,0,0|1,0,0]=3 1415 B8R1.4 Nc1ccnc(Br)c1 Amb32409353 [0,2,0,0,0,0|1,0,0]=3 1416 B8R1.4 Nc1ccnc(Br)n1 Amb10601008 [0,2,0,0,0,0|2,0,0]=4 1417 B8R1.4 Nc1ccnc(Cl)c1 Amb534986 [0,2,0,0,0,0|1,0,0]=3 1418 B8R1.4 Nc1ccnc(Cl)n1 Amb2610008 [0,2,0,0,0,0|2,0,0]=4 1419 B8R1.4 Nc1ccnc(F)c1 Amb8396906 [0,2,0,0,0,0|1,0,0]=3 1420 B8R1.4 Nc1ccnc(F)n1 Amb8495537 [0,2,0,0,0,0|2,0,0]=4 1421 B8R1.4 Nc1ccnc(I)n1 Amb24637009 [0,2,0,0,0,0|2,0,0]=4 1422 B8R1.4 Nc1ccnc(N)c1 Amb33483437 [0,2,0,0,0,0|1,0,0]=3 1423 B8R1.4 Nc1ccnc(N)c1 Amb8396965 [0,2,0,0,0,0|1,0,0]=3 1424 B8R1.4 Nc1ccnc(N)n1 Amb8516877 [0,2,0,0,0,0|2,0,0]=4 1425 B8R1.4 Nc1ccnc(O)c1 Amb2697410 [0,2,0,0,0,0|1,0,0]=3 1426 B8R1.4 Nc1ccnc(S)c1 Amb18278072 [0,2,0,0,0,0|1,0,0]=3 1427 B8R1.4 Nc1ccnc(S)n1 Amb2591530 [0,2,0,0,0,0|2,0,0]=4 1428 B8R1.4 Nc1cncc(Br)c1 Amb2540663 [0,2,0,0,0,0|1,0,0]=3 1429 B8R1.4 Nc1cncc(Br)n1 Amb10599650 [0,2,0,0,0,0|2,0,0]=4 1430 B8R1.4 Nc1cncc(Cl)c1 Amb2610802 [0,2,0,0,0,0|1,0,0]=3 1431 B8R1.4 Nc1cncc(Cl)c1 Amb30585100 [0,2,0,0,0,0|1,0,0]=3 1432 B8R1.4 Nc1cncc(Cl)n1 Amb2455800 [0,2,0,0,0,0|2,0,0]=4 1433 B8R1.4 Nc1cncc(F)c1 Amb24102512 [0,2,0,0,0,0|1,0,0]=3 1434 B8R1.4 Nc1cncc(F)c1 Amb8396769 [0,2,0,0,0,0|1,0,0]=3 1435 B8R1.4 Nc1cncc(F)n1 Amb21961326 [0,2,0,0,0,0|2,0,0]=4 1436 B8R1.4 Nc1cncc(I)n1 Amb24319382 [0,2,0,0,0,0|2,0,0]=4 1437 B8R1.4 Nc1cncc(N)c1 Amb33328755 [0,2,0,0,0,0|1,0,0]=3 1438 B8R1.4 Nc1cncc(N)c1 Amb8396927 [0,2,0,0,0,0|1,0,0]=3 1439 B8R1.4 Nc1cncc(N)n1 Amb18641612 [0,2,0,0,0,0|2,0,0]=4 1440 B8R1.4 Nc1cncc(N)n1 Amb19958397 [0,2,0,0,0,0|2,0,0]=4 1441 B8R1.4 Nc1cncc(O)c1 Amb17739826 [0,2,0,0,0,0|1,0,0]=3 1442 B8R1.4 Nc1cncc(O)c1 Amb2697550 [0,2,0,0,0,0|1,0,0]=3 1443 B8R1.4 Nc1cncc(O)n1 Amb10600359 [0,2,0,0,0,0|2,0,0]=4 1444 B8R1.4 Nc1cnnc(Br)c1 Amb22500401 [0,2,0,0,0,0|2,0,0]=4 1445 B8R1.4 Nc1cnnc(Cl)c1 Amb18124331 [0,2,0,0,0,0|2,0,0]=4 1446 B8R1.4 Nc1nccc(Br)n1 Amb10975351 [0,2,0,0,0,0|2,0,0]=4 1447 B8R1.4 Nc1nccc(Cl)n1 Amb2570571 [0,2,0,0,0,0|2,0,0]=4 1448 B8R1.4 Nc1nccc(F)n1 Amb22495090 [0,2,0,0,0,0|2,0,0]=4 1449 B8R1.4 Nc1nccc(I)n1 Amb10602752 [0,2,0,0,0,0|2,0,0]=4 1450 B8R1.4 Nc1nccc(O)n1 Amb8397233 [0,2,0,0,0,0|2,0,0]=4 1451 B8R1.4 O=C1C=C(Br)C=CN1 Amb22292027 [0,2,0,0,0,0|1,0,0]=3 1452 B8R1.4 O=C1C=C(Br)C=NN1 Amb24481408 [0,2,0,0,0,0|2,0,0]=4 1453 B8R1.4 O=C1C=C(Br)N=CC1 Amb23401280 [0,2,0,0,0,0|1,0,1]=4 1454 B8R1.4 O=C1C=C(Cl)C=CN1 Amb18625105 [0,2,0,0,0,0|1,0,0]=3 1455 B8R1.4 O=C1C=C(Cl)C=CO1 Amb22001907 [0,2,0,0,0,0|1,0,0]=3 1456 B8R1.4 O=C1C=C(Cl)C=NN1 Amb19664791 [0,2,0,0,0,0|2,0,0]=4 1457 B8R1.4 O=C1C=C(Cl)N=CC1 Amb22500053 [0,2,0,0,0,0|1,0,1]=4 1458 B8R1.4 O=C1C=C(Cl)NC=N1 Amb20620851 [0,2,0,0,0,0|2,0,0]=4 1459 B8R1.4 O=C1C=C(F)C=CN1 Amb22008561 [0,2,0,0,0,0|1,0,0]=3 1460 B8R1.4 O=C1C=C(F)C=NN1 Amb25089266 [0,2,0,0,0,0|2,0,0]=4 1461 B8R1.4 O=C1C=C(I)C=CN1 Amb19664790 [0,2,0,0,0,0|1,0,0]=3 1462 B8R1.4 O=C1C=C(I)C=NN1 Amb19958225 [0,2,0,0,0,0|2,0,0]=4 1463 B8R1.4 O=C1C=C(I)N=CN1 Amb26362491 [0,2,0,0,0,0|2,0,0]=4 1464 B8R1.4 O=C1C=C(O)C=CN1 Amb19958639 [0,2,0,0,0,0|1,0,0]=3 1465 B8R1.4 O=C1C=C(O)N=CN1 Amb19131914 [0,2,0,0,0,0|2,0,0]=4 1466 B8R1.4 O=C1C=C(S)NC=N1 Amb20620608 [0,2,0,0,0,0|2,0,0]=4 1467 B8R1.4 O=C1C=C=CC(=O)C1 Amb27486115 [0,2,0,0,0,0|0,0,2]=4 1468 B8R1.4 O=C1C=CC=C(Br)N1 Amb18040563 [0,2,0,0,0,0|1,0,0]=3 1469 B8R1.4 O=C1C=CC=C(Cl)N1 Amb20623033 [0,2,0,0,0,0|1,0,0]=3 1470 B8R1.4 O=C1C=CC=C(Cl)O1 Amb22337145 [0,2,0,0,0,0|1,0,0]=3 1471 B8R1.4 O=C1C=CC=C(I)N1 Amb24651389 [0,2,0,0,0,0|1,0,0]=3 1472 B8R1.4 O=C1C=CC=C(O)N1 Amb22347822 [0,2,0,0,0,0|1,0,0]=3 1473 B8R1.4 O=C1C=CC=[N+]([O-])N1 Amb27985357 [0,2,0,0,0,0|2,0,0]=4 1474 B8R1.4 O=C1C=CCC(=O)O1 Amb453190 [0,2,0,0,0,0|1,0,1]=4 1475 B8R1.4 O=C1C=CNC(=O)N1 Amb18028577 [0,2,0,0,0,0|2,0,0]=4 1476 B8R1.4 O=C1C=CNC(=O)O1 Amb21937546 [0,2,0,0,0,0|2,0,0]=4 1477 B8R1.4 O=C1C=CNC(=S)C1 Amb27207898 [0,2,0,0,0,0|1,0,1]=4 1478 B8R1.4 O=C1C=CNC(=S)N1 Amb18028423 [0,2,0,0,0,0|2,0,0]=4 1479 B8R1.4 O=C1C=CNC(Cl)=C1 Amb22489481 [0,2,0,0,0,0|1,0,0]=3 1480 B8R1.4 O=C1C=COC(=O)C1 Amb25358147 [0,2,0,0,0,0|1,0,1]=4 1481 B8R1.4 O=C1C=COC(O)=C1 Amb28456629 [0,2,0,0,0,0|1,0,0]=3 1482 B8R1.4 O=C1C=NC=C(Br)N1 Amb22499624 [0,2,0,0,0,0|2,0,0]=4 1483 B8R1.4 O=C1C=NC=C(Cl)N1 Amb20527586 [0,2,0,0,0,0|2,0,0]=4 1484 B8R1.4 O=C1C=NC=C(F)N1 Amb22387081 [0,2,0,0,0,0|2,0,0]=4 1485 B8R1.4 O=C1CC=CC(Cl)=N1 Amb2609501 [0,2,0,0,0,0|1,0,1]=4 1486 B8R1.4 O=C1N=C(Cl)C=CN1 Amb22001986 [0,2,0,0,0,0|2,0,0]=4 1487 B8R1.4 O=C1NC=CC(=S)N1 Amb21964570 [0,2,0,0,0,0|2,0,0]=4 1488 B8R1.4 O=n1cccc(F)c1 Amb20621374 [0,2,0,0,0,0|1,0,0]=3 1489 B8R1.4 O=n1cccc(O)c1 Amb20621449 [0,2,0,0,0,0|1,0,0]=3 1490 B8R1.4 OC1=NC(=S)NC=C1 Amb19748546 [0,2,0,0,0,0|2,0,0]=4 1491 B8R1.4 ON1=CC(Cl)=CC=C1 Amb17772574 [0,2,0,0,0,0|1,0,0]=3 1492 B8R1.4 Oc1cc(Br)ccn1 Amb2609499 [0,2,0,0,0,0|1,0,0]=3 1493 B8R1.4 Oc1cc(Br)ncn1 Amb10600043 [0,2,0,0,0,0|2,0,0]=4 1494 B8R1.4 Oc1cc(Cl)ccn1 Amb2686116 [0,2,0,0,0,0|1,0,0]=3 1495 B8R1.4 Oc1cc(Cl)cnn1 Amb22295742 [0,2,0,0,0,0|2,0,0]=4 1496 B8R1.4 Oc1cc(Cl)ncn1 Amb2609464 [0,2,0,0,0,0|2,0,0]=4 1497 B8R1.4 Oc1cc(F)ncn1 Amb26068762 [0,2,0,0,0,0|2,0,0]=4 1498 B8R1.4 Oc1cc(O)ncn1 Amb6370863 [0,2,0,0,0,0|2,0,0]=4 1499 B8R1.4 Oc1cc(S)ccn1 Amb24695775 [0,2,0,0,0,0|1,0,0]=3 1500 B8R1.4 Oc1cccc(Br)c1 Amb2685386 [0,2,0,0,0,0|0,0,0]=2 1501 B8R1.4 Oc1cccc(Br)n1 Amb2613094 [0,2,0,0,0,0|1,0,0]=3 1502 B8R1.4 Oc1cccc(Cl)c1 Amb3939547 [0,2,0,0,0,0|0,0,0]=2 1503 B8R1.4 Oc1cccc(F)c1 Amb2688291 [0,2,0,0,0,0|0,0,0]=2 1504 B8R1.4 Oc1cccc(F)n1 Amb10603071 [0,2,0,0,0,0|1,0,0]=3 1505 B8R1.4 Oc1cccc(I)c1 Amb1159079 [0,2,0,0,0,0|0,0,0]=2 1506 B8R1.4 Oc1cccc(O)c1 Amb2793030 [0,2,0,0,0,0|0,0,0]=2 1507 B8R1.4 Oc1cccc(O)n1 Amb2696834 [0,2,0,0,0,0|1,0,0]=3 1508 B8R1.4 Oc1cccc(O)n1 Amb4034458 [0,2,0,0,0,0|1,0,0]=3 1509 B8R1.4 Oc1cccc(S)c1 Amb8383400 [0,2,0,0,0,0|0,0,0]=2 1510 B8R1.4 Oc1cccc(S)n1 Amb24470326 [0,2,0,0,0,0|1,0,0]=3 1511 B8R1.4 Oc1ccnc(Br)c1 Amb8386887 [0,2,0,0,0,0|1,0,0]=3 1512 B8R1.4 Oc1ccnc(Br)n1 Amb20617245 [0,2,0,0,0,0|2,0,0]=4 1513 B8R1.4 Oc1ccnc(Cl)c1 Amb2610061 [0,2,0,0,0,0|1,0,0]=3 1514 B8R1.4 Oc1ccnc(Cl)n1 Amb20241261 [0,2,0,0,0,0|2,0,0]=4 1515 B8R1.4 Oc1ccnc(F)c1 Amb10603604 [0,2,0,0,0,0|1,0,0]=3 1516 B8R1.4 Oc1ccnc(F)n1 Amb24695651 [0,2,0,0,0,0|2,0,0]=4 1517 B8R1.4 Oc1ccnc(I)c1 Amb27482579 [0,2,0,0,0,0|1,0,0]=3 1518 B8R1.4 Oc1ccnc(O)c1 Amb2609927 [0,2,0,0,0,0|1,0,0]=3 1519 B8R1.4 Oc1ccnc(O)c1 Amb33719306 [0,2,0,0,0,0|1,0,0]=3 1520 B8R1.4 Oc1ccnc(S)c1 Amb26929419 [0,2,0,0,0,0|1,0,0]=3 1521 B8R1.4 Oc1ccnc(S)n1 Amb753232 [0,2,0,0,0,0|2,0,0]=4 1522 B8R1.4 Oc1cncc(Br)c1 Amb2447638 [0,2,0,0,0,0|1,0,0]=3 1523 B8R1.4 Oc1cncc(Br)n1 Amb10600358 [0,2,0,0,0,0|2,0,0]=4 1524 B8R1.4 Oc1cncc(Cl)c1 Amb2725476 [0,2,0,0,0,0|1,0,0]=3 1525 B8R1.4 Oc1cncc(Cl)n1 Amb8855268 [0,2,0,0,0,0|2,0,0]=4 1526 B8R1.4 Oc1cncc(F)c1 Amb10576207 [0,2,0,0,0,0|1,0,0]=3 1527 B8R1.4 Oc1cncc(I)c1 Amb8426264 [0,2,0,0,0,0|1,0,0]=3 1528 B8R1.4 Oc1cncc(I)n1 Amb22388360 [0,2,0,0,0,0|2,0,0]=4 1529 B8R1.4 Oc1cncc(O)c1 Amb10602196 [0,2,0,0,0,0|1,0,0]=3 1530 B8R1.4 Oc1cncc(O)n1 Amb10600360 [0,2,0,0,0,0|2,0,0]=4 1531 B8R1.4 Oc1cnnc(Cl)c1 Amb22728711 [0,2,0,0,0,0|2,0,0]=4 1532 B8R1.4 Oc1cnnc(O)c1 Amb21963471 [0,2,0,0,0,0|2,0,0]=4 1533 B8R1.4 Oc1nccc(Br)n1 Amb10599404 [0,2,0,0,0,0|2,0,0]=4 1534 B8R1.4 Oc1nccc(F)n1 Amb25312300 [0,2,0,0,0,0|2,0,0]=4 1535 B8R1.4 Oc1nccc(I)n1 Amb26939094 [0,2,0,0,0,0|2,0,0]=4 1536 B8R1.4 Oc1nccc(S)n1 Amb3997279 [0,2,0,0,0,0|2,0,0]=4 1537 B8R1.4 S=C1C=C(Cl)C=CN1 Amb25268659 [0,2,0,0,0,0|1,0,0]=3 1538 B8R1.4 S=C1C=C(S)C=CN1 Amb28072789 [0,2,0,0,0,0|1,0,0]=3 1539 B8R1.4 S=C1C=CC=C(Br)N1 Amb24470776 [0,2,0,0,0,0|1,0,0]=3 1540 B8R1.4 S=C1C=CC=C(Cl)N1 Amb26006996 [0,2,0,0,0,0|1,0,0]=3 1541 B8R1.4 S=C1N=CC=C(Cl)N1 Amb22015367 [0,2,0,0,0,0|2,0,0]=4 1542 B8R1.4 Sc1cccc(Br)c1 Amb2372548 [0,2,0,0,0,0|0,0,0]=2 1543 B8R1.4 Sc1cccc(Cl)c1 Amb2686487 [0,2,0,0,0,0|0,0,0]=2 1544 B8R1.4 Sc1cccc(I)c1 Amb24483276 [0,2,0,0,0,0|0,0,0]=2 1545 B8R1.4 Sc1cccc(S)c1 Amb9820126 [0,2,0,0,0,0|0,0,0]=2 1546 B8R1.4 Sc1ccnc(Cl)c1 Amb22001495 [0,2,0,0,0,0|1,0,0]=3 1547 B8R1.4 Sc1ccnc(S)n1 Amb2591544 [0,2,0,0,0,0|2,0,0]=4 1548 B8R1.4 Sc1cncc(Br)c1 Amb22499840 [0,2,0,0,0,0|1,0,0]=3 1549 B8R1.4 Sc1nccc(I)n1 Amb2447123 [0,2,0,0,0,0|2,0,0]=4 1550 B8R1.4 [2H]c1nccc(Br)n1 Amb10597346 [0,2,0,0,0,0|2,0,0]=4 1551 B8R1.4 [2H]c1nccc(N)n1 Amb10597348 [0,2,0,0,0,0|2,0,0]=4 1552 B8R1.4 [Mg+]c1cccc(Cl)c1 Amb22044012 [0,2,0,0,0,0|0,0,0]=2 1553 B8R1.4 [O-][NH+]1C=CC=C(F)C1 Amb28315880 [0,2,0,0,0,0|1,0,1]=4 1554 B8R1.4 [O-][n+]1cccc(Br)c1 Amb2610013 [0,2,0,0,0,0|1,0,0]=3 1555 B8R1.4 [O-][n+]1cccc(Cl)c1 Amb8396904 [0,2,0,0,0,0|1,0,0]=3 1556 B8R1.4 [O-][n+]1cccc(F)c1 Amb13887013 [0,2,0,0,0,0|1,0,0]=3 1557 B8R1.4 [O-][n+]1cccc(I)c1 Amb2609502 [0,2,0,0,0,0|1,0,0]=3 1558 B8R1.4 [O-][n+]1cccc(O)c1 Amb2609929 [0,2,0,0,0,0|1,0,0]=3 1559 B8R1.4 [O-][n+]1ccnc(Cl)c1 Amb22057475 [0,2,0,0,0,0|2,0,0]=4 1560 B8R1.4 [O-][n+]1cncc(Br)c1 Amb22499690 [0,2,0,0,0,0|2,0,0]=4 1561 B8R1.4 [O-][n+]1cncc(Cl)c1 Amb27389854 [0,2,0,0,0,0|2,0,0]=4 1562 B8R1.4 [SiH3]c1cccc([SiH3])n1 Amb27453611 [0,2,0,0,0,0|1,0,0]=3 1563 B8R1.5 Brc1ccccc1Br Amb2686714 [0,2,0,0,0,0|0,0,0]=2 1564 B8R1.5 Brc1ccccc1I Amb2447546 [0,2,0,0,0,0|0,0,0]=2 1565 B8R1.5 Brc1cccnc1Br Amb2447549 [0,2,0,0,0,0|1,0,0]=3 1566 B8R1.5 Brc1cccnc1I Amb33549220 [0,2,0,0,0,0|1,0,0]=3 1567 B8R1.5 Brc1ccncc1Br Amb2609488 [0,2,0,0,0,0|1,0,0]=3 1568 B8R1.5 Brc1ccncc1I Amb20242567 [0,2,0,0,0,0|1,0,0]=3 1569 B8R1.5 Brc1ccnnc1Br Amb28059527 [0,2,0,0,0,0|2,0,0]=4 1570 B8R1.5 Brc1cnccc1I Amb20670449 [0,2,0,0,0,0|1,0,0]=3 1571 B8R1.5 Brc1cncnc1Br Amb23450328 [0,2,0,0,0,0|2,0,0]=4 1572 B8R1.5 Brc1cncnc1I Amb22497760 [0,2,0,0,0,0|2,0,0]=4 1573 B8R1.5 Brc1cnncc1Br Amb24553149 [0,2,0,0,0,0|2,0,0]=4 1574 B8R1.5 Brc1ncccc1I Amb19888868 [0,2,0,0,0,0|1,0,0]=3 1575 B8R1.5 Brc1nccnc1Br Amb19957641 [0,2,0,0,0,0|2,0,0]=4 1576 B8R1.5 Brc1nccnc1I Amb26542123 [0,2,0,0,0,0|2,0,0]=4 1577 B8R1.5 Brc1ncncc1I Amb23589497 [0,2,0,0,0,0|2,0,0]=4 1578 B8R1.5 C=C1CSC=CC1=O Amb27598782 [0,2,0,0,0,0|1,0,1]=4 1579 B8R1.5 CC1=C(C)NC=CN1 Amb28383183 [0,2,0,0,0,0|2,0,0]=4 1580 B8R1.5 CC1=CC=CNC1=O Amb18028406 [0,2,0,0,0,0|1,0,0]=3 1581 B8R1.5 CC1=CC=CNC1=S Amb33530577 [0,2,0,0,0,0|1,0,0]=3 1582 B8R1.5 CC1=CC=CNC1N Amb27633696 [0,2,0,0,0,0|1,0,1]=4 1583 B8R1.5 CC1=CC=COC1N Amb27981010 [0,2,0,0,0,0|1,0,1]=4 1584 B8R1.5 CC1=CC=NNC1=O Amb21960917 [0,2,0,0,0,0|2,0,0]=4 1585 B8R1.5 CC1=CN=CNC1=O Amb21937121 [0,2,0,0,0,0|2,0,0]=4 1586 B8R1.5 CC1=CN=CNC1=S Amb28253321 [0,2,0,0,0,0|2,0,0]=4 1587 B8R1.5 CC1=CNC=CC1=N Amb19205207 [0,2,0,0,0,0|1,0,0]=3 1588 B8R1.5 CC1=CNC=CC1=O Amb33714756 [0,2,0,0,0,0|1,0,0]=3 1589 B8R1.5 CC1=NC=CNC1=O Amb22436791 [0,2,0,0,0,0|2,0,0]=4 1590 B8R1.5 CC1=NC=CNC1=O Amb32653329 [0,2,0,0,0,0|2,0,0]=4 1591 B8R1.5 CC1C=NC=CC1=S Amb34915431 [0,2,0,0,0,0|1,0,1]=4 1592 B8R1.5 CN1C=CC=CC1=N Amb22011801 [0,2,0,0,0,0|1,0,0]=3 1593 B8R1.5 CN1C=CC=CC1=O Amb19664826 [0,2,0,0,0,0|1,0,0]=3 1594 B8R1.5 CN1C=CC=CC1Cl Amb28285206 [0,2,0,0,0,0|1,0,1]=4 1595 B8R1.5 CN1C=CC=NC1=O Amb22292010 [0,2,0,0,0,0|2,0,0]=4 1596 B8R1.5 CN1C=CC=NC1=S Amb25242705 [0,2,0,0,0,0|2,0,0]=4 1597 B8R1.5 CN1N=CC=CC1=O Amb28122931 [0,2,0,0,0,0|2,0,0]=4 1598 B8R1.5 C[n+]1ccccc1Cl Amb10074893 [0,2,0,0,0,0|1,0,0]=3 1599 B8R1.5 C[n+]1ccccc1Cl Amb5794569 [0,2,0,0,0,0|1,0,0]=3 1600 B8R1.5 C[n+]1ccccc1F Amb26628402 [0,2,0,0,0,0|1,0,0]=3 1601 B8R1.5 C[n+]1ccccc1F Amb33140972 [0,2,0,0,0,0|1,0,0]=3 1602 B8R1.5 C[n+]1ccccc1N Amb1145103 [0,2,0,0,0,0|1,0,0]=3 1603 B8R1.5 C[n+]1cccnc1N Amb27852410 [0,2,0,0,0,0|2,0,0]=4 1604 B8R1.5 Cc1cccc[n+]1C Amb1147466 [0,2,0,0,0,0|1,0,0]=3 1605 B8R1.5 Cc1cccc[n+]1N Amb10552646 [0,2,0,0,0,0|1,0,0]=3 1606 B8R1.5 Cc1cccc[n+]1[O-] Amb8389159 [0,2,0,0,0,0|1,0,0]=3 1607 B8R1.5 Cc1ccccc1Br Amb2685510 [0,2,0,0,0,0|0,0,0]=2 1608 B8R1.5 Cc1ccccc1C Amb2447373 [0,2,0,0,0,0|0,0,0]=2 1609 B8R1.5 Cc1ccccc1Cl Amb1694836 [0,2,0,0,0,0|0,0,0]=2 1610 B8R1.5 Cc1ccccc1F Amb2688426 [0,2,0,0,0,0|0,0,0]=2 1611 B8R1.5 Cc1ccccc1I Amb2688891 [0,2,0,0,0,0|0,0,0]=2 1612 B8R1.5 Cc1ccccc1N Amb2793015 [0,2,0,0,0,0|0,0,0]=2 1613 B8R1.5 Cc1ccccc1O Amb2447562 [0,2,0,0,0,0|0,0,0]=2 1614 B8R1.5 Cc1ccccc1S Amb2690594 [0,2,0,0,0,0|0,0,0]=2 1615 B8R1.5 Cc1ccccc1[Mg+] Amb22733193 [0,2,0,0,0,0|0,0,0]=2 1616 B8R1.5 Cc1ccccc1[NH3+] Amb10565982 [0,2,0,0,0,0|0,0,0]=2 1617 B8R1.5 Cc1ccccn1=O Amb20247250 [0,2,0,0,0,0|1,0,0]=3 1618 B8R1.5 Cc1cccnc1Br Amb2447402 [0,2,0,0,0,0|1,0,0]=3 1619 B8R1.5 Cc1cccnc1C Amb8514941 [0,2,0,0,0,0|1,0,0]=3 1620 B8R1.5 Cc1cccnc1Cl Amb3940000 [0,2,0,0,0,0|1,0,0]=3 1621 B8R1.5 Cc1cccnc1F Amb2447290 [0,2,0,0,0,0|1,0,0]=3 1622 B8R1.5 Cc1cccnc1I Amb10069327 [0,2,0,0,0,0|1,0,0]=3 1623 B8R1.5 Cc1cccnc1N Amb16233775 [0,2,0,0,0,0|1,0,0]=3 1624 B8R1.5 Cc1cccnc1N Amb2694490 [0,2,0,0,0,0|1,0,0]=3 1625 B8R1.5 Cc1cccnc1O Amb2389971 [0,2,0,0,0,0|1,0,0]=3 1626 B8R1.5 Cc1cccnc1S Amb10573534 [0,2,0,0,0,0|1,0,0]=3 1627 B8R1.5 Cc1ccncc1Br Amb2609939 [0,2,0,0,0,0|1,0,0]=3 1628 B8R1.5 Cc1ccncc1C Amb2793076 [0,2,0,0,0,0|1,0,0]=3 1629 B8R1.5 Cc1ccncc1Cl Amb8393041 [0,2,0,0,0,0|1,0,0]=3 1630 B8R1.5 Cc1ccncc1F Amb2447281 [0,2,0,0,0,0|1,0,0]=3 1631 B8R1.5 Cc1ccncc1I Amb21858494 [0,2,0,0,0,0|1,0,0]=3 1632 B8R1.5 Cc1ccncc1N Amb2796181 [0,2,0,0,0,0|1,0,0]=3 1633 B8R1.5 Cc1ccncc1O Amb8630818 [0,2,0,0,0,0|1,0,0]=3 1634 B8R1.5 Cc1ccncc1S Amb24675739 [0,2,0,0,0,0|1,0,0]=3 1635 B8R1.5 Cc1ccnnc1C Amb26507989 [0,2,0,0,0,0|2,0,0]=4 1636 B8R1.5 Cc1ccnnc1Cl Amb16231020 [0,2,0,0,0,0|2,0,0]=4 1637 B8R1.5 Cc1ccnnc1Cl Amb23440184 [0,2,0,0,0,0|2,0,0]=4 1638 B8R1.5 Cc1ccnnc1N Amb18123964 [0,2,0,0,0,0|2,0,0]=4 1639 B8R1.5 Cc1cnccc1Br Amb8393017 [0,2,0,0,0,0|1,0,0]=3 1640 B8R1.5 Cc1cnccc1Br Amb8503379 [0,2,0,0,0,0|1,0,0]=3 1641 B8R1.5 Cc1cnccc1Br Amb8630971 [0,2,0,0,0,0|1,0,0]=3 1642 B8R1.5 Cc1cnccc1Cl Amb2686247 [0,2,0,0,0,0|1,0,0]=3 1643 B8R1.5 Cc1cnccc1Cl Amb8393026 [0,2,0,0,0,0|1,0,0]=3 1644 B8R1.5 Cc1cnccc1F Amb15691008 [0,2,0,0,0,0|1,0,0]=3 1645 B8R1.5 Cc1cnccc1F Amb22276539 [0,2,0,0,0,0|1,0,0]=3 1646 B8R1.5 Cc1cnccc1I Amb24066118 [0,2,0,0,0,0|1,0,0]=3 1647 B8R1.5 Cc1cnccc1I Amb32795033 [0,2,0,0,0,0|1,0,0]=3 1648 B8R1.5 Cc1cnccc1N Amb6429136 [0,2,0,0,0,0|1,0,0]=3 1649 B8R1.5 Cc1cnccc1O Amb8386832 [0,2,0,0,0,0|1,0,0]=3 1650 B8R1.5 Cc1cnccc1S Amb20670270 [0,2,0,0,0,0|1,0,0]=3 1651 B8R1.5 Cc1cncnc1Br Amb19957660 [0,2,0,0,0,0|2,0,0]=4 1652 B8R1.5 Cc1cncnc1C Amb24097057 [0,2,0,0,0,0|2,0,0]=4 1653 B8R1.5 Cc1cncnc1C Amb30585099 [0,2,0,0,0,0|2,0,0]=4 1654 B8R1.5 Cc1cncnc1Cl Amb19957387 [0,2,0,0,0,0|2,0,0]=4 1655 B8R1.5 Cc1cncnc1Cl Amb22756224 [0,2,0,0,0,0|2,0,0]=4 1656 B8R1.5 Cc1cncnc1F Amb27438598 [0,2,0,0,0,0|2,0,0]=4 1657 B8R1.5 Cc1cncnc1N Amb10603746 [0,2,0,0,0,0|2,0,0]=4 1658 B8R1.5 Cc1cncnc1O Amb8438965 [0,2,0,0,0,0|2,0,0]=4 1659 B8R1.5 Cc1cnncc1Br Amb18825271 [0,2,0,0,0,0|2,0,0]=4 1660 B8R1.5 Cc1cnncc1C Amb24599955 [0,2,0,0,0,0|2,0,0]=4 1661 B8R1.5 Cc1cnncc1N Amb18833123 [0,2,0,0,0,0|2,0,0]=4 1662 B8R1.5 Cc1nccc[n+]1[O-] Amb26370311 [0,2,0,0,0,0|2,0,0]=4 1663 B8R1.5 Cc1ncccc1Br Amb2612474 [0,2,0,0,0,0|1,0,0]=3 1664 B8R1.5 Cc1ncccc1Cl Amb8630901 [0,2,0,0,0,0|1,0,0]=3 1665 B8R1.5 Cc1ncccc1F Amb15691011 [0,2,0,0,0,0|1,0,0]=3 1666 B8R1.5 Cc1ncccc1I Amb10602320 [0,2,0,0,0,0|1,0,0]=3 1667 B8R1.5 Cc1ncccc1N Amb8392991 [0,2,0,0,0,0|1,0,0]=3 1668 B8R1.5 Cc1ncccc1O Amb24062097 [0,2,0,0,0,0|1,0,0]=3 1669 B8R1.5 Cc1ncccc1O Amb2613384 [0,2,0,0,0,0|1,0,0]=3 1670 B8R1.5 Cc1ncccc1S Amb24062554 [0,2,0,0,0,0|1,0,0]=3 1671 B8R1.5 Cc1nccnc1Br Amb15701217 [0,2,0,0,0,0|2,0,0]=4 1672 B8R1.5 Cc1nccnc1C Amb8513879 [0,2,0,0,0,0|2,0,0]=4 1673 B8R1.5 Cc1nccnc1Cl Amb17515939 [0,2,0,0,0,0|2,0,0]=4 1674 B8R1.5 Cc1nccnc1F Amb24686578 [0,2,0,0,0,0|2,0,0]=4 1675 B8R1.5 Cc1nccnc1I Amb22751685 [0,2,0,0,0,0|2,0,0]=4 1676 B8R1.5 Cc1nccnc1N Amb16233707 [0,2,0,0,0,0|2,0,0]=4 1677 B8R1.5 Cc1nccnc1N Amb31217478 [0,2,0,0,0,0|2,0,0]=4 1678 B8R1.5 Cc1nccnc1S Amb22299180 [0,2,0,0,0,0|2,0,0]=4 1679 B8R1.5 Cc1ncncc1Br Amb10602876 [0,2,0,0,0,0|2,0,0]=4 1680 B8R1.5 Cc1ncncc1Cl Amb20241071 [0,2,0,0,0,0|2,0,0]=4 1681 B8R1.5 Cc1ncncc1F Amb26618850 [0,2,0,0,0,0|2,0,0]=4 1682 B8R1.5 Cc1ncncc1I Amb19957397 [0,2,0,0,0,0|2,0,0]=4 1683 B8R1.5 Cc1ncncc1N Amb8384275 [0,2,0,0,0,0|2,0,0]=4 1684 B8R1.5 Cc1ncncc1O Amb18641411 [0,2,0,0,0,0|2,0,0]=4 1685 B8R1.5 Cc1ncncc1S Amb32876666 [0,2,0,0,0,0|2,0,0]=4 1686 B8R1.5 Cc1nnccc1Cl Amb27602444 [0,2,0,0,0,0|2,0,0]=4 1687 B8R1.5 Cc1nnccc1N Amb25121067 [0,2,0,0,0,0|2,0,0]=4 1688 B8R1.5 Cc1nnccc1N Amb28934869 [0,2,0,0,0,0|2,0,0]=4 1689 B8R1.5 Cc1nnccc1O Amb26872893 [0,2,0,0,0,0|2,0,0]=4 1690 B8R1.5 ClC1=C(Cl)COC=C1 Amb27830823 [0,2,0,0,0,0|1,0,1]=4 1691 B8R1.5 Clc1ccccc1Br Amb2684987 [0,2,0,0,0,0|0,0,0]=2 1692 B8R1.5 Clc1ccccc1Cl Amb2793060 [0,2,0,0,0,0|0,0,0]=2 1693 B8R1.5 Clc1ccccc1I Amb2686128 [0,2,0,0,0,0|0,0,0]=2 1694 B8R1.5 Clc1cccnc1Br Amb8383861 [0,2,0,0,0,0|1,0,0]=3 1695 B8R1.5 Clc1cccnc1Cl Amb2610843 [0,2,0,0,0,0|1,0,0]=3 1696 B8R1.5 Clc1cccnc1I Amb8630902 [0,2,0,0,0,0|1,0,0]=3 1697 B8R1.5 Clc1ccncc1Br Amb21960104 [0,2,0,0,0,0|1,0,0]=3 1698 B8R1.5 Clc1ccncc1Br Amb2610058 [0,2,0,0,0,0|1,0,0]=3 1699 B8R1.5 Clc1ccncc1Cl Amb16230951 [0,2,0,0,0,0|1,0,0]=3 1700 B8R1.5 Clc1ccncc1Cl Amb16230974 [0,2,0,0,0,0|1,0,0]=3 1701 B8R1.5 Clc1ccncc1Cl Amb8384509 [0,2,0,0,0,0|1,0,0]=3 1702 B8R1.5 Clc1ccncc1I Amb22640979 [0,2,0,0,0,0|1,0,0]=3 1703 B8R1.5 Clc1ccncc1I Amb8426248 [0,2,0,0,0,0|1,0,0]=3 1704 B8R1.5 Clc1ccnnc1Cl Amb19958452 [0,2,0,0,0,0|2,0,0]=4 1705 B8R1.5 Clc1cnccc1Br Amb8392999 [0,2,0,0,0,0|1,0,0]=3 1706 B8R1.5 Clc1cnccc1I Amb10067171 [0,2,0,0,0,0|1,0,0]=3 1707 B8R1.5 Clc1cncnc1Br Amb25924386 [0,2,0,0,0,0|2,0,0]=4 1708 B8R1.5 Clc1cncnc1Cl Amb8394848 [0,2,0,0,0,0|2,0,0]=4 1709 B8R1.5 Clc1cncnc1I Amb24375646 [0,2,0,0,0,0|2,0,0]=4 1710 B8R1.5 Clc1cnncc1Cl Amb20242023 [0,2,0,0,0,0|2,0,0]=4 1711 B8R1.5 Clc1cnncc1Cl Amb22235749 [0,2,0,0,0,0|2,0,0]=4 1712 B8R1.5 Clc1ncccc1Br Amb1261628 [0,2,0,0,0,0|1,0,0]=3 1713 B8R1.5 Clc1ncccc1I Amb1088774 [0,2,0,0,0,0|1,0,0]=3 1714 B8R1.5 Clc1nccnc1Br Amb22494203 [0,2,0,0,0,0|2,0,0]=4 1715 B8R1.5 Clc1nccnc1Cl Amb2686969 [0,2,0,0,0,0|2,0,0]=4 1716 B8R1.5 Clc1nccnc1I Amb25781777 [0,2,0,0,0,0|2,0,0]=4 1717 B8R1.5 Clc1ncncc1Br Amb19514825 [0,2,0,0,0,0|2,0,0]=4 1718 B8R1.5 Clc1ncncc1Br Amb22756245 [0,2,0,0,0,0|2,0,0]=4 1719 B8R1.5 Clc1ncncc1I Amb15691084 [0,2,0,0,0,0|2,0,0]=4 1720 B8R1.5 Cn1ccccc1=O Amb2609945 [0,2,0,0,0,0|1,0,0]=3 1721 B8R1.5 Cn1cnccc1=O Amb2609512 [0,2,0,0,0,0|2,0,0]=4 1722 B8R1.5 FC1=CC=CNC1=S Amb33549260 [0,2,0,0,0,0|1,0,0]=3 1723 B8R1.5 FC1=NC=CNC1=S Amb22388303 [0,2,0,0,0,0|2,0,0]=4 1724 B8R1.5 Fc1ccccc1Br Amb2685182 [0,2,0,0,0,0|0,0,0]=2 1725 B8R1.5 Fc1ccccc1Cl Amb2685936 [0,2,0,0,0,0|0,0,0]=2 1726 B8R1.5 Fc1ccccc1F Amb2687051 [0,2,0,0,0,0|0,0,0]=2 1727 B8R1.5 Fc1ccccc1I Amb2688121 [0,2,0,0,0,0|0,0,0]=2 1728 B8R1.5 Fc1ccccc1S Amb2688423 [0,2,0,0,0,0|0,0,0]=2 1729 B8R1.5 Fc1ccccc1[Zn+] Amb22353246 [0,2,0,0,0,0|0,0,0]=2 1730 B8R1.5 Fc1cccnc1Br Amb8396940 [0,2,0,0,0,0|1,0,0]=3 1731 B8R1.5 Fc1cccnc1Cl Amb8387987 [0,2,0,0,0,0|1,0,0]=3 1732 B8R1.5 Fc1cccnc1F Amb8387989 [0,2,0,0,0,0|1,0,0]=3 1733 B8R1.5 Fc1cccnc1I Amb2696626 [0,2,0,0,0,0|1,0,0]=3 1734 B8R1.5 Fc1cccnc1S Amb26943430 [0,2,0,0,0,0|1,0,0]=3 1735 B8R1.5 Fc1ccncc1Br Amb8396941 [0,2,0,0,0,0|1,0,0]=3 1736 B8R1.5 Fc1ccncc1Cl Amb8396770 [0,2,0,0,0,0|1,0,0]=3 1737 B8R1.5 Fc1ccncc1F Amb8397120 [0,2,0,0,0,0|1,0,0]=3 1738 B8R1.5 Fc1ccncc1S Amb24476591 [0,2,0,0,0,0|1,0,0]=3 1739 B8R1.5 Fc1cnccc1Br Amb16185873 [0,2,0,0,0,0|1,0,0]=3 1740 B8R1.5 Fc1cnccc1Br Amb8393013 [0,2,0,0,0,0|1,0,0]=3 1741 B8R1.5 Fc1cnccc1Cl Amb8386192 [0,2,0,0,0,0|1,0,0]=3 1742 B8R1.5 Fc1cnccc1Cl Amb8393025 [0,2,0,0,0,0|1,0,0]=3 1743 B8R1.5 Fc1cnccc1I Amb4560976 [0,2,0,0,0,0|1,0,0]=3 1744 B8R1.5 Fc1cnccc1S Amb26337431 [0,2,0,0,0,0|1,0,0]=3 1745 B8R1.5 Fc1cncnc1Cl Amb10067338 [0,2,0,0,0,0|2,0,0]=4 1746 B8R1.5 Fc1cncnc1I Amb25312491 [0,2,0,0,0,0|2,0,0]=4 1747 B8R1.5 Fc1cncnc1S Amb4016304 [0,2,0,0,0,0|2,0,0]=4 1748 B8R1.5 Fc1ncccc1Br Amb2455785 [0,2,0,0,0,0|1,0,0]=3 1749 B8R1.5 Fc1ncccc1Cl Amb8390107 [0,2,0,0,0,0|1,0,0]=3 1750 B8R1.5 Fc1ncccc1I Amb2455815 [0,2,0,0,0,0|1,0,0]=3 1751 B8R1.5 Fc1ncccc1S Amb26907632 [0,2,0,0,0,0|1,0,0]=3 1752 B8R1.5 Fc1nccnc1Br Amb25081564 [0,2,0,0,0,0|2,0,0]=4 1753 B8R1.5 Fc1nccnc1Cl Amb26028405 [0,2,0,0,0,0|2,0,0]=4 1754 B8R1.5 Fc1nccnc1F Amb21961621 [0,2,0,0,0,0|2,0,0]=4 1755 B8R1.5 Fc1nccnc1I Amb19889036 [0,2,0,0,0,0|2,0,0]=4 1756 B8R1.5 Fc1ncncc1Br Amb26575022 [0,2,0,0,0,0|2,0,0]=4 1757 B8R1.5 Fc1ncncc1I Amb26575497 [0,2,0,0,0,0|2,0,0]=4 1758 B8R1.5 Ic1ccccc1I Amb2687311 [0,2,0,0,0,0|0,0,0]=2 1759 B8R1.5 Ic1ccncc1I Amb2609494 [0,2,0,0,0,0|1,0,0]=3 1760 B8R1.5 Ic1nccnc1I Amb26541892 [0,2,0,0,0,0|2,0,0]=4 1761 B8R1.5 NC1=CC=CNC1=O Amb18641609 [0,2,0,0,0,0|1,0,0]=3 1762 B8R1.5 NC1=CC=CNC1=S Amb19958555 [0,2,0,0,0,0|1,0,0]=3 1763 B8R1.5 NC1=CC=CON1N Amb28313952 [0,2,0,0,0,0|2,0,0]=4 1764 B8R1.5 NC1=CC=NNC1=O Amb18641632 [0,2,0,0,0,0|2,0,0]=4 1765 B8R1.5 NC1=CN=CNC1=O Amb33544216 [0,2,0,0,0,0|2,0,0]=4 1766 B8R1.5 NC1=CNC=CC1=O Amb22489482 [0,2,0,0,0,0|1,0,0]=3 1767 B8R1.5 NC1=NC=CNC1=O Amb22388516 [0,2,0,0,0,0|2,0,0]=4 1768 B8R1.5 NC1=NC=CNC1=S Amb24756997 [0,2,0,0,0,0|2,0,0]=4 1769 B8R1.5 NC1C=CC=CN1Cl Amb28119490 [0,2,0,0,0,0|1,0,1]=4 1770 B8R1.5 NN1C=CC=CC1=O Amb18641421 [0,2,0,0,0,0|1,0,0]=3 1771 B8R1.5 Nc1[nH+]cccc1Br Amb33513099 [0,2,0,0,0,0|1,0,0]=3 1772 B8R1.5 Nc1cccc[n+]1N Amb346872 [0,2,0,0,0,0|1,0,0]=3 1773 B8R1.5 Nc1cccc[n+]1[O-] Amb1044003 [0,2,0,0,0,0|1,0,0]=3 1774 B8R1.5 Nc1ccccc1Br Amb2684944 [0,2,0,0,0,0|0,0,0]=2 1775 B8R1.5 Nc1ccccc1Cl Amb2792845 [0,2,0,0,0,0|0,0,0]=2 1776 B8R1.5 Nc1ccccc1F Amb20242666 [0,2,0,0,0,0|0,0,0]=2 1777 B8R1.5 Nc1ccccc1F Amb2688011 [0,2,0,0,0,0|0,0,0]=2 1778 B8R1.5 Nc1ccccc1I Amb1158874 [0,2,0,0,0,0|0,0,0]=2 1779 B8R1.5 Nc1ccccc1N Amb1935251 [0,2,0,0,0,0|0,0,0]=2 1780 B8R1.5 Nc1ccccc1N Amb20240557 [0,2,0,0,0,0|0,0,0]=2 1781 B8R1.5 Nc1ccccc1N Amb22052498 [0,2,0,0,0,0|0,0,0]=2 1782 B8R1.5 Nc1ccccc1O Amb1927020 [0,2,0,0,0,0|0,0,0]=2 1783 B8R1.5 Nc1ccccc1O Amb22167536 [0,2,0,0,0,0|0,0,0]=2 1784 B8R1.5 Nc1ccccc1O Amb22735013 [0,2,0,0,0,0|0,0,0]=2 1785 B8R1.5 Nc1ccccc1S Amb2684539 [0,2,0,0,0,0|0,0,0]=2 1786 B8R1.5 Nc1cccn[n+]1[O-] Amb28140675 [0,2,0,0,0,0|2,0,0]=4 1787 B8R1.5 Nc1cccnc1Br Amb1040351 [0,2,0,0,0,0|1,0,0]=3 1788 B8R1.5 Nc1cccnc1Br Amb22831599 [0,2,0,0,0,0|1,0,0]=3 1789 B8R1.5 Nc1cccnc1Cl Amb22498703 [0,2,0,0,0,0|1,0,0]=3 1790 B8R1.5 Nc1cccnc1Cl Amb534659 [0,2,0,0,0,0|1,0,0]=3 1791 B8R1.5 Nc1cccnc1F Amb20620254 [0,2,0,0,0,0|1,0,0]=3 1792 B8R1.5 Nc1cccnc1F Amb8392987 [0,2,0,0,0,0|1,0,0]=3 1793 B8R1.5 Nc1cccnc1I Amb16234033 [0,2,0,0,0,0|1,0,0]=3 1794 B8R1.5 Nc1cccnc1N Amb535787 [0,2,0,0,0,0|1,0,0]=3 1795 B8R1.5 Nc1cccnc1N Amb8396954 [0,2,0,0,0,0|1,0,0]=3 1796 B8R1.5 Nc1cccnc1O Amb13951755 [0,2,0,0,0,0|1,0,0]=3 1797 B8R1.5 Nc1cccnc1O Amb2610529 [0,2,0,0,0,0|1,0,0]=3 1798 B8R1.5 Nc1cccnc1P Amb27640861 [0,2,0,0,0,0|1,0,0]=3 1799 B8R1.5 Nc1cccnc1S Amb8929758 [0,2,0,0,0,0|1,0,0]=3 1800 B8R1.5 Nc1ccncc1Br Amb1420330 [0,2,0,0,0,0|1,0,0]=3 1801 B8R1.5 Nc1ccncc1Cl Amb443853 [0,2,0,0,0,0|1,0,0]=3 1802 B8R1.5 Nc1ccncc1F Amb2609506 [0,2,0,0,0,0|1,0,0]=3 1803 B8R1.5 Nc1ccncc1I Amb2696275 [0,2,0,0,0,0|1,0,0]=3 1804 B8R1.5 Nc1ccncc1N Amb535063 [0,2,0,0,0,0|1,0,0]=3 1805 B8R1.5 Nc1ccncc1O Amb10071345 [0,2,0,0,0,0|1,0,0]=3 1806 B8R1.5 Nc1ccncc1O Amb2697376 [0,2,0,0,0,0|1,0,0]=3 1807 B8R1.5 Nc1ccncc1O Amb33996606 [0,2,0,0,0,0|1,0,0]=3 1808 B8R1.5 Nc1ccncc1S Amb18124311 [0,2,0,0,0,0|1,0,0]=3 1809 B8R1.5 Nc1ccncc1S Amb23439490 [0,2,0,0,0,0|1,0,0]=3 1810 B8R1.5 Nc1ccnnc1Br Amb18197845 [0,2,0,0,0,0|2,0,0]=4 1811 B8R1.5 Nc1ccnnc1Cl Amb10603687 [0,2,0,0,0,0|2,0,0]=4 1812 B8R1.5 Nc1ccnnc1N Amb2610057 [0,2,0,0,0,0|2,0,0]=4 1813 B8R1.5 Nc1ccnnc1S Amb18203048 [0,2,0,0,0,0|2,0,0]=4 1814 B8R1.5 Nc1cncc[n+]1[O-] Amb27862922 [0,2,0,0,0,0|2,0,0]=4 1815 B8R1.5 Nc1cnccc1Br Amb10602218 [0,2,0,0,0,0|1,0,0]=3 1816 B8R1.5 Nc1cnccc1Cl Amb2609897 [0,2,0,0,0,0|1,0,0]=3 1817 B8R1.5 Nc1cnccc1Cl Amb33313560 [0,2,0,0,0,0|1,0,0]=3 1818 B8R1.5 Nc1cnccc1F Amb24097469 [0,2,0,0,0,0|1,0,0]=3 1819 B8R1.5 Nc1cnccc1F Amb32653163 [0,2,0,0,0,0|1,0,0]=3 1820 B8R1.5 Nc1cnccc1I Amb4560896 [0,2,0,0,0,0|1,0,0]=3 1821 B8R1.5 Nc1cnccc1O Amb535789 [0,2,0,0,0,0|1,0,0]=3 1822 B8R1.5 Nc1cnccc1O Amb7969438 [0,2,0,0,0,0|1,0,0]=3 1823 B8R1.5 Nc1cnccc1O Amb7969634 [0,2,0,0,0,0|1,0,0]=3 1824 B8R1.5 Nc1cnccc1S Amb33528190 [0,2,0,0,0,0|1,0,0]=3 1825 B8R1.5 Nc1cncnc1Br Amb19957552 [0,2,0,0,0,0|2,0,0]=4 1826 B8R1.5 Nc1cncnc1Cl Amb16185817 [0,2,0,0,0,0|2,0,0]=4 1827 B8R1.5 Nc1cncnc1F Amb33035688 [0,2,0,0,0,0|2,0,0]=4 1828 B8R1.5 Nc1cncnc1I Amb22235429 [0,2,0,0,0,0|2,0,0]=4 1829 B8R1.5 Nc1cncnc1N Amb2591560 [0,2,0,0,0,0|2,0,0]=4 1830 B8R1.5 Nc1cncnc1N Amb32990193 [0,2,0,0,0,0|2,0,0]=4 1831 B8R1.5 Nc1cncnc1O Amb18641631 [0,2,0,0,0,0|2,0,0]=4 1832 B8R1.5 Nc1cncnc1O Amb22167158 [0,2,0,0,0,0|2,0,0]=4 1833 B8R1.5 Nc1cncnc1S Amb18642522 [0,2,0,0,0,0|2,0,0]=4 1834 B8R1.5 Nc1cnncc1Br Amb22235292 [0,2,0,0,0,0|2,0,0]=4 1835 B8R1.5 Nc1cnncc1Cl Amb18124330 [0,2,0,0,0,0|2,0,0]=4 1836 B8R1.5 Nc1cnncc1N Amb18124217 [0,2,0,0,0,0|2,0,0]=4 1837 B8R1.5 Nc1ncccc1Br Amb1084295 [0,2,0,0,0,0|1,0,0]=3 1838 B8R1.5 Nc1ncccc1Cl Amb1279989 [0,2,0,0,0,0|1,0,0]=3 1839 B8R1.5 Nc1ncccc1F Amb8396937 [0,2,0,0,0,0|1,0,0]=3 1840 B8R1.5 Nc1ncccc1I Amb4560883 [0,2,0,0,0,0|1,0,0]=3 1841 B8R1.5 Nc1ncccc1O Amb2697548 [0,2,0,0,0,0|1,0,0]=3 1842 B8R1.5 Nc1ncccc1O Amb534658 [0,2,0,0,0,0|1,0,0]=3 1843 B8R1.5 Nc1nccnc1Br Amb16233874 [0,2,0,0,0,0|2,0,0]=4 1844 B8R1.5 Nc1nccnc1Cl Amb2715518 [0,2,0,0,0,0|2,0,0]=4 1845 B8R1.5 Nc1nccnc1F Amb22388326 [0,2,0,0,0,0|2,0,0]=4 1846 B8R1.5 Nc1nccnc1I Amb10601938 [0,2,0,0,0,0|2,0,0]=4 1847 B8R1.5 Nc1nccnc1N Amb7172694 [0,2,0,0,0,0|2,0,0]=4 1848 B8R1.5 Nc1ncncc1Br Amb16233875 [0,2,0,0,0,0|2,0,0]=4 1849 B8R1.5 Nc1ncncc1Cl Amb19957574 [0,2,0,0,0,0|2,0,0]=4 1850 B8R1.5 Nc1ncncc1F Amb4011496 [0,2,0,0,0,0|2,0,0]=4 1851 B8R1.5 Nc1ncncc1I Amb19957575 [0,2,0,0,0,0|2,0,0]=4 1852 B8R1.5 Nc1ncncc1O Amb21964294 [0,2,0,0,0,0|2,0,0]=4 1853 B8R1.5 Nc1nnccc1Br Amb27482578 [0,2,0,0,0,0|2,0,0]=4 1854 B8R1.5 Nc1nnccc1Br Amb33295360 [0,2,0,0,0,0|2,0,0]=4 1855 B8R1.5 Nc1nnccc1S Amb27613243 [0,2,0,0,0,0|2,0,0]=4 1856 B8R1.5 O=C1C=CC=CC1=O Amb17593118 [0,2,0,0,0,0|0,0,0]=2 1857 B8R1.5 O=C1C=CC=CN1O Amb20622284 [0,2,0,0,0,0|1,0,0]=3 1858 B8R1.5 O=C1C=CC=NC1=O Amb27802733 [0,2,0,0,0,0|1,0,0]=3 1859 B8R1.5 O=C1C=CCC=C1Cl Amb27181091 [0,2,0,0,0,0|0,0,1]=3 1860 B8R1.5 O=C1C=CCCC1=O Amb28049024 [0,2,0,0,0,0|0,0,2]=4 1861 B8R1.5 O=C1C=CNC=C1I Amb22465984 [0,2,0,0,0,0|1,0,0]=3 1862 B8R1.5 O=C1C=COC=C1Br Amb28324212 [0,2,0,0,0,0|1,0,0]=3 1863 B8R1.5 O=C1C=COC=C1O Amb19133754 [0,2,0,0,0,0|1,0,0]=3 1864 B8R1.5 O=C1COC=CC1=S Amb27835579 [0,2,0,0,0,0|1,0,1]=4 1865 B8R1.5 O=C1N=CNC=C1Br Amb22043912 [0,2,0,0,0,0|2,0,0]=4 1866 B8R1.5 O=C1N=CNC=C1Cl Amb22490583 [0,2,0,0,0,0|2,0,0]=4 1867 B8R1.5 O=C1NC=CC=C1Br Amb18542924 [0,2,0,0,0,0|1,0,0]=3 1868 B8R1.5 O=C1NC=CC=C1Cl Amb20243356 [0,2,0,0,0,0|1,0,0]=3 1869 B8R1.5 O=C1NC=CC=C1I Amb22001887 [0,2,0,0,0,0|1,0,0]=3 1870 B8R1.5 O=C1NC=CC=C1O Amb18537411 [0,2,0,0,0,0|1,0,0]=3 1871 B8R1.5 O=C1NC=CC=C1S Amb25261155 [0,2,0,0,0,0|1,0,0]=3 1872 B8R1.5 O=C1NC=CN=C1Cl Amb19148377 [0,2,0,0,0,0|2,0,0]=4 1873 B8R1.5 O=C1NC=CN=C1I Amb28316181 [0,2,0,0,0,0|2,0,0]=4 1874 B8R1.5 O=C1NC=CN=C1S Amb28316182 [0,2,0,0,0,0|2,0,0]=4 1875 B8R1.5 O=C1NC=CNC1=O Amb19894734 [0,2,0,0,0,0|2,0,0]=4 1876 B8R1.5 O=C1NC=NC=C1F Amb22489479 [0,2,0,0,0,0|2,0,0]=4 1877 B8R1.5 O=C1NC=NC=C1I Amb22371454 [0,2,0,0,0,0|2,0,0]=4 1878 B8R1.5 O=C1NC=NC=C1O Amb22436766 [0,2,0,0,0,0|2,0,0]=4 1879 B8R1.5 O=C1NC=NC=C1O Amb22728033 [0,2,0,0,0,0|2,0,0]=4 1880 B8R1.5 O=C1NC=NC=C1S Amb28422458 [0,2,0,0,0,0|2,0,0]=4 1881 B8R1.5 O=C1NN=CC=C1Br Amb23455497 [0,2,0,0,0,0|2,0,0]=4 1882 B8R1.5 O=C1NN=CC=C1Cl Amb33543639 [0,2,0,0,0,0|2,0,0]=4 1883 B8R1.5 O=C1NN=CC=C1F Amb24659506 [0,2,0,0,0,0|2,0,0]=4 1884 B8R1.5 O=C1NN=CC=C1I Amb25329683 [0,2,0,0,0,0|2,0,0]=4 1885 B8R1.5 O=C1OC=CC=C1Br Amb26073988 [0,2,0,0,0,0|1,0,0]=3 1886 B8R1.5 O=C1OC=CC=C1Cl Amb20247271 [0,2,0,0,0,0|1,0,0]=3 1887 B8R1.5 O=C1OC=CC=C1I Amb20247272 [0,2,0,0,0,0|1,0,0]=3 1888 B8R1.5 O=C1OC=CC=C1O Amb17933813 [0,2,0,0,0,0|1,0,0]=3 1889 B8R1.5 O=c1ccocc1O Amb7172743 [0,2,0,0,0,0|1,0,0]=3 1890 B8R1.5 O=n1ccccc1Br Amb20620597 [0,2,0,0,0,0|1,0,0]=3 1891 B8R1.5 O=n1ccccc1Cl Amb20620850 [0,2,0,0,0,0|1,0,0]=3 1892 B8R1.5 O=n1ccccc1F Amb20621375 [0,2,0,0,0,0|1,0,0]=3 1893 B8R1.5 O=n1ccccc1O Amb20621417 [0,2,0,0,0,0|1,0,0]=3 1894 B8R1.5 OC1=CC=CNC1O Amb28045872 [0,2,0,0,0,0|1,0,1]=4 1895 B8R1.5 OC1=CC=NNC1=S Amb27440901 [0,2,0,0,0,0|2,0,0]=4 1896 B8R1.5 OC1=COC=CC1=S Amb24558826 [0,2,0,0,0,0|1,0,0]=3 1897 B8R1.5 OC1C=CC=NC1=S Amb25850841 [0,2,0,0,0,0|1,0,1]=4 1898 B8R1.5 ON1C=CC=CC1=S Amb26615251 [0,2,0,0,0,0|1,0,0]=3 1899 B8R1.5 Oc1ccccc1Br Amb1161818 [0,2,0,0,0,0|0,0,0]=2 1900 B8R1.5 Oc1ccccc1Cl Amb3939627 [0,2,0,0,0,0|0,0,0]=2 1901 B8R1.5 Oc1ccccc1F Amb2688290 [0,2,0,0,0,0|0,0,0]=2 1902 B8R1.5 Oc1ccccc1I Amb4605844 [0,2,0,0,0,0|0,0,0]=2 1903 B8R1.5 Oc1ccccc1O Amb2609033 [0,2,0,0,0,0|0,0,0]=2 1904 B8R1.5 Oc1ccccc1P Amb27256691 [0,2,0,0,0,0|0,0,0]=2 1905 B8R1.5 Oc1ccccc1S Amb2688798 [0,2,0,0,0,0|0,0,0]=2 1906 B8R1.5 Oc1cccnc1Br Amb535840 [0,2,0,0,0,0|1,0,0]=3 1907 B8R1.5 Oc1cccnc1Cl Amb2725475 [0,2,0,0,0,0|1,0,0]=3 1908 B8R1.5 Oc1cccnc1F Amb15690844 [0,2,0,0,0,0|1,0,0]=3 1909 B8R1.5 Oc1cccnc1I Amb2610016 [0,2,0,0,0,0|1,0,0]=3 1910 B8R1.5 Oc1cccnc1O Amb2609926 [0,2,0,0,0,0|1,0,0]=3 1911 B8R1.5 Oc1cccnc1S Amb2698064 [0,2,0,0,0,0|1,0,0]=3 1912 B8R1.5 Oc1ccncc1Br Amb15691018 [0,2,0,0,0,0|1,0,0]=3 1913 B8R1.5 Oc1ccncc1Cl Amb10602284 [0,2,0,0,0,0|1,0,0]=3 1914 B8R1.5 Oc1ccncc1F Amb10602312 [0,2,0,0,0,0|1,0,0]=3 1915 B8R1.5 Oc1ccncc1F Amb19895479 [0,2,0,0,0,0|1,0,0]=3 1916 B8R1.5 Oc1ccncc1O Amb2696835 [0,2,0,0,0,0|1,0,0]=3 1917 B8R1.5 Oc1ccncc1S Amb26907895 [0,2,0,0,0,0|1,0,0]=3 1918 B8R1.5 Oc1ccnnc1O Amb24518788 [0,2,0,0,0,0|2,0,0]=4 1919 B8R1.5 Oc1cnccc1Br Amb15691017 [0,2,0,0,0,0|1,0,0]=3 1920 B8R1.5 Oc1cnccc1Br Amb21955133 [0,2,0,0,0,0|1,0,0]=3 1921 B8R1.5 Oc1cnccc1Cl Amb10602670 [0,2,0,0,0,0|1,0,0]=3 1922 B8R1.5 Oc1cnccc1I Amb34913402 [0,2,0,0,0,0|1,0,0]=3 1923 B8R1.5 Oc1cnccc1I Amb8388785 [0,2,0,0,0,0|1,0,0]=3 1924 B8R1.5 Oc1cnccc1S Amb27803956 [0,2,0,0,0,0|1,0,0]=3 1925 B8R1.5 Oc1cncnc1Br Amb24374920 [0,2,0,0,0,0|2,0,0]=4 1926 B8R1.5 Oc1cncnc1F Amb28246222 [0,2,0,0,0,0|2,0,0]=4 1927 B8R1.5 Oc1cncnc1I Amb27964580 [0,2,0,0,0,0|2,0,0]=4 1928 B8R1.5 Oc1cnncc1Br Amb26580562 [0,2,0,0,0,0|2,0,0]=4 1929 B8R1.5 Oc1cnncc1Br Amb33804046 [0,2,0,0,0,0|2,0,0]=4 1930 B8R1.5 Oc1cnncc1Cl Amb22235763 [0,2,0,0,0,0|2,0,0]=4 1931 B8R1.5 Oc1ncccc1Br Amb2842954 [0,2,0,0,0,0|1,0,0]=3 1932 B8R1.5 Oc1ncccc1Cl Amb2610062 [0,2,0,0,0,0|1,0,0]=3 1933 B8R1.5 Oc1ncccc1F Amb8384343 [0,2,0,0,0,0|1,0,0]=3 1934 B8R1.5 Oc1nccnc1Br Amb22500205 [0,2,0,0,0,0|2,0,0]=4 1935 B8R1.5 Oc1nccnc1Cl Amb22011655 [0,2,0,0,0,0|2,0,0]=4 1936 B8R1.5 Oc1nccnc1O Amb2722687 [0,2,0,0,0,0|2,0,0]=4 1937 B8R1.5 Oc1ncncc1Br Amb10602883 [0,2,0,0,0,0|2,0,0]=4 1938 B8R1.5 Oc1ncncc1Br Amb22492474 [0,2,0,0,0,0|2,0,0]=4 1939 B8R1.5 Oc1ncncc1Cl Amb33543832 [0,2,0,0,0,0|2,0,0]=4 1940 B8R1.5 Oc1ncncc1F Amb4017129 [0,2,0,0,0,0|2,0,0]=4 1941 B8R1.5 Oc1ncncc1I Amb4009898 [0,2,0,0,0,0|2,0,0]=4 1942 B8R1.5 Oc1nnccc1Cl Amb19958663 [0,2,0,0,0,0|2,0,0]=4 1943 B8R1.5 Pc1ccccc1Br Amb27201493 [0,2,0,0,0,0|0,0,0]=2 1944 B8R1.5 Pc1ccccc1P Amb22227663 [0,2,0,0,0,0|0,0,0]=2 1945 B8R1.5 S=C1NC=CC=C1Br Amb19374472 [0,2,0,0,0,0|1,0,0]=3 1946 B8R1.5 S=C1NC=CC=C1Cl Amb17933337 [0,2,0,0,0,0|1,0,0]=3 1947 B8R1.5 S=C1NC=NC=C1Br Amb25253477 [0,2,0,0,0,0|2,0,0]=4 1948 B8R1.5 Sc1ccccc1Br Amb2685507 [0,2,0,0,0,0|0,0,0]=2 1949 B8R1.5 Sc1ccccc1Cl Amb2686486 [0,2,0,0,0,0|0,0,0]=2 1950 B8R1.5 Sc1ccccc1I Amb25883385 [0,2,0,0,0,0|0,0,0]=2 1951 B8R1.5 Sc1ccccc1S Amb8515838 [0,2,0,0,0,0|0,0,0]=2 1952 B8R1.5 Sc1cccnc1Br Amb27209236 [0,2,0,0,0,0|1,0,0]=3 1953 B8R1.5 Sc1cccnc1Cl Amb27848171 [0,2,0,0,0,0|1,0,0]=3 1954 B8R1.5 Sc1ccncc1Br Amb25032081 [0,2,0,0,0,0|1,0,0]=3 1955 B8R1.5 Sc1ccncc1Cl Amb23557574 [0,2,0,0,0,0|1,0,0]=3 1956 B8R1.5 Sc1cnccc1Cl Amb28455349 [0,2,0,0,0,0|1,0,0]=3 1957 B8R1.5 Sc1ncccc1Br Amb33538374 [0,2,0,0,0,0|1,0,0]=3 1958 B8R1.5 Sc1ncccc1Cl Amb2371701 [0,2,0,0,0,0|1,0,0]=3 1959 B8R1.5 [BH3-][n+]1ccccc1C Amb33776327 [0,2,0,0,0,0|1,0,0]=3 1960 B8R1.5 [NH3+]c1ccccc1Cl Amb6365999 [0,2,0,0,0,0|0,0,0]=2 1961 B8R1.5 [O-][n+]1ccccc1Br Amb10068286 [0,2,0,0,0,0|1,0,0]=3 1962 B8R1.5 [O-][n+]1ccccc1Br Amb34914994 [0,2,0,0,0,0|1,0,0]=3 1963 B8R1.5 [O-][n+]1ccccc1Br Amb9825871 [0,2,0,0,0,0|1,0,0]=3 1964 B8R1.5 [O-][n+]1ccccc1Cl Amb8389209 [0,2,0,0,0,0|1,0,0]=3 1965 B8R1.5 [O-][n+]1ccccc1O Amb2609928 [0,2,0,0,0,0|1,0,0]=3 1966 B8R1.5 [O-][n+]1ccccc1S Amb1154773 [0,2,0,0,0,0|1,0,0]=3 1967 B8R1.5 [O-][n+]1ccncc1Br Amb27862342 [0,2,0,0,0,0|2,0,0]=4 1968 B8R1.5 [O-][n+]1ccncc1Cl Amb26979797 [0,2,0,0,0,0|2,0,0]=4 1969 B8R1.5 [O-][n+]1ccncc1O Amb27597940 [0,2,0,0,0,0|2,0,0]=4 1970 B8R1.72 CC1(C)C=CNC=C1 Amb27838379 [0,2,0,0,0,0|1,0,1]=4 1971 B8R1.72 O=P1(Cl)C=COC=C1 Amb24671250 [0,2,0,0,0,0|2,0,0]=4 1972 B8R1.72 O=S1(=O)C=CNC=C1 Amb25243210 [0,2,0,0,0,0|2,0,0]=4 1973 B6R1.3 Br\C=C\C1C=C1 Amb27252310 [0,0,1,1,0,0|1,0,1]=4 1974 B6R1.4 O=C1C=CC1=O Amb22731249 [0,0,1,1,0,0|2,0,0]=4 1975 B8R2.25 C1=CC2=CC2C=N1 Amb27228609 [0,0,0,1,0,1|0,0,1]=3 1976 B8R2.25 c1ccc2c(c1)C2 Amb22731756 [0,0,0,1,0,1|0,0,0]=2 1977 B8R2.25 c1ccc2c(c1)N2 Amb26988536 [0,0,0,1,0,1|0,0,0]=2 1978 B8R2.11 O=C1c2ccsc21 Amb27802559 [0,1,0,1,0,0|1,0,0]=3 1979 B8R2.34 C1=CC2C=CC1C2 Amb33780114 [0,1,0,1,0,0|0,0,2]=4 1980 B8R2.34 C1=CC2C=CC1C2 Amb8517348 [0,1,0,1,0,0|0,0,2]=4 1981 B8R2.38 O=C1C=CC2=CC12 Amb27861243 [0,1,0,1,0,0|0,0,1]=3 1982 B4R1.1 C1=CCC1 Amb25870354 [0,0,0,0,2,0|0,0,2]=4 1983 B4R1.1 C1=CNC1 Amb25339223 [0,0,0,0,2,0|1,0,1]=4 1984 B8R1.49 C1=CC=CC=CC=C1 Amb6600541 [0,0,0,0,0,2|0,0,0]=2 1985 B8R1.49 C1=CC=CCCC=C1 Amb25949178 [0,0,0,0,0,2|0,0,0]=2 1986 B8R1.49 C1=CCCC=CCC1 Amb20240928 [0,0,0,0,0,2|0,0,2]=4 1987 B8R1.49 C1=CCCC=CCC1 Amb21858295 [0,0,0,0,0,2|0,0,2]=4 1988 B8R1.49 C1=CCCC=CCC1 Amb21962105 [0,0,0,0,0,2|0,0,2]=4 1989 B8R1.49 C1=CCCC=CCC1 Amb22001947 [0,0,0,0,0,2|0,0,2]=4 1990 B8R1.49 C1=CCCC=CCC1 Amb22729533 [0,0,0,0,0,2|0,0,2]=4 1991 B8R1.49 C1=CCCC=CCC1 Amb32414658 [0,0,0,0,0,2|0,0,2]=4 1992 B8R1.49 C1=CCCC=CCC1 Amb34910796 [0,0,0,0,0,2|0,0,2]=4 1993 B8R1.49 C1=CCCC=CCC1 Amb35796422 [0,0,0,0,0,2|0,0,2]=4 1994 B8R1.49 C1=CCCC=CCC1 Amb35825507 [0,0,0,0,0,2|0,0,2]=4 1995 B8R1.49 C1=CCCC=CCC1 Amb8389257 [0,0,0,0,0,2|0,0,2]=4 1996 B8R1.49 C1=CCCC=CCC1 Amb8389289 [0,0,0,0,0,2|0,0,2]=4 1997 B8R1.49 C1=CCCC=CCC1 Amb8514435 [0,0,0,0,0,2|0,0,2]=4 1998 B8R1.49 C1=CCCC=CCC1 Amb8515194 [0,0,0,0,0,2|0,0,2]=4 1999 B8R1.49 C1=CCCC=CCC1 Amb8517196 [0,0,0,0,0,2|0,0,2]=4 2000 B8R1.49 C1=CCCC=CCC1 Amb8517269 [0,0,0,0,0,2|0,0,2]=4 2001 B8R1.49 C1=CCCCC=CC1 Amb27858879 [0,0,0,0,0,2|0,0,2]=4 2002 B8R1.49 C1=CCCCCC=C1 Amb4034451 [0,0,0,0,0,2|0,0,2]=4 2003 B8R1.49 C1=CNCCNC=C1 Amb27796067 [0,0,0,0,0,2|0,0,2]=4