0 B11R2.2 C1=C(c2ccco2)N[CH+]C1 Amb27876498 [0,0,0,0,0,0|2,0,2]=4 1 B11R2.2 C1=CC(=C2NC=CN2)C=N1 Amb27771426 [0,0,0,0,0,0|3,0,0]=3 2 B11R2.2 C1=CC(c2ccco2)NC1 Amb27243147 [0,0,0,0,0,0|2,0,2]=4 3 B11R2.2 C1=CC(c2ccns2)NC1 Amb27867894 [0,0,0,0,0,0|2,0,2]=4 4 B11R2.2 C1=CC(c2ccsn2)NC1 Amb28428977 [0,0,0,0,0,0|2,0,2]=4 5 B11R2.2 C1=CC(c2cncs2)NC1 Amb35605391 [0,0,0,0,0,0|1,1,2]=4 6 B11R2.2 c1cc(-c2ccon2)co1 Amb28050451 [0,0,0,0,0,0|4,0,0]=4 7 B11R2.2 c1cc(-c2ccon2)no1 Amb8393956 [0,0,0,0,0,0|3,0,1]=4 8 B11R2.2 c1cc(-c2ccsc2)no1 Amb26872722 [0,0,0,0,0,0|4,0,0]=4 9 B11R2.2 c1cc(-c2ccsc2)on1 Amb8384697 [0,0,0,0,0,0|4,0,0]=4 10 B11R2.2 c1cc(-c2cnco2)co1 Amb23437039 [0,0,0,0,0,0|3,0,0]=3 11 B11R2.2 c1cc(-c2cnco2)no1 Amb35652269 [0,0,0,0,0,0|2,0,1]=3 12 B11R2.2 c1ccn(-c2ccon2)c1 Amb3974109 [0,0,0,0,0,0|4,0,0]=4 13 B11R2.2 c1ccn(-c2csnn2)c1 Amb35707364 [0,0,0,0,0,0|4,0,0]=4 14 B11R2.2 c1ccn(-c2nccs2)c1 Amb2411089 [0,0,0,0,0,0|3,1,0]=4 15 B11R2.2 c1ccn(-c2nncs2)c1 Amb2235652 [0,0,0,0,0,0|2,1,0]=3 16 B11R2.2 c1ccn(-c2nnns2)c1 Amb35699585 [0,0,0,0,0,0|3,1,0]=4 17 B11R2.2 c1cn(-c2nccs2)nn1 Amb28075198 [0,0,0,0,0,0|3,0,1]=4 18 B11R2.2 c1cn(-c2nncs2)cn1 Amb25827930 [0,0,0,0,0,0|3,1,0]=4 19 B11R2.2 c1cnn(-c2cncs2)c1 Amb28051582 [0,0,0,0,0,0|2,1,1]=4 20 B11R2.2 c1cnn(-c2ncns2)c1 Amb27823568 [0,0,0,0,0,0|3,0,1]=4 21 B11R2.2 c1cnn(-c2nncs2)c1 Amb27841797 [0,0,0,0,0,0|1,1,1]=3 22 B11R2.2 c1coc(-c2ccco2)c1 Amb10559843 [0,0,0,0,0,0|3,0,0]=3 23 B11R2.2 c1coc(-c2ccno2)c1 Amb28382212 [0,0,0,0,0,0|3,0,0]=3 24 B11R2.2 c1coc(-c2ccon2)c1 Amb27754602 [0,0,0,0,0,0|3,0,0]=3 25 B11R2.2 c1coc(-c2cnco2)c1 Amb591268 [0,0,0,0,0,0|2,0,0]=2 26 B11R2.2 c1coc(-c2ncco2)n1 Amb27209912 [0,0,0,0,0,0|2,0,1]=3 27 B11R2.2 c1coc(-c2nccs2)c1 Amb2735633 [0,0,0,0,0,0|2,1,0]=3 28 B11R2.2 c1coc(-c2nccs2)n1 Amb27193383 [0,0,0,0,0,0|2,0,1]=3 29 B11R2.2 c1coc(-c2ncon2)c1 Amb28133293 [0,0,0,0,0,0|3,0,0]=3 30 B11R2.2 c1coc(-c2nnco2)c1 Amb27467994 [0,0,0,0,0,0|1,0,0]=1 31 B11R2.2 c1coc(-c2nncs2)c1 Amb28050210 [0,0,0,0,0,0|1,1,0]=2 32 B11R2.2 c1coc(-n2cccc2)c1 Amb27862431 [0,0,0,0,0,0|4,0,0]=4 33 B11R2.2 c1coc(-n2ccnc2)c1 Amb28250047 [0,0,0,0,0,0|4,0,0]=4 34 B11R2.2 c1coc(C2=NCCN2)c1 Amb6353917 [0,0,0,0,0,0|3,0,1]=4 35 B11R2.2 c1csc(-c2cccs2)c1 Amb597256 [0,0,0,0,0,0|3,1,0]=4 36 B11R2.2 c1csc(-c2ccno2)c1 Amb8384800 [0,0,0,0,0,0|3,0,0]=3 37 B11R2.2 c1csc(-c2ccoc2)n1 Amb10601018 [0,0,0,0,0,0|3,1,0]=4 38 B11R2.2 c1csc(-c2ccsc2)n1 Amb10601019 [0,0,0,0,0,0|3,1,0]=4 39 B11R2.2 c1csc(-c2cnco2)c1 Amb2725746 [0,0,0,0,0,0|2,0,0]=2 40 B11R2.2 c1csc(-c2cnco2)n1 Amb22736193 [0,0,0,0,0,0|2,0,1]=3 41 B11R2.2 c1csc(-c2cncs2)n1 Amb27458565 [0,0,0,0,0,0|2,1,1]=4 42 B11R2.2 c1csc(-c2cnon2)c1 Amb33623909 [0,0,0,0,0,0|4,0,0]=4 43 B11R2.2 c1csc(-c2cocn2)c1 Amb17399918 [0,0,0,0,0,0|4,0,0]=4 44 B11R2.2 c1csc(-c2cocn2)n1 Amb28202925 [0,0,0,0,0,0|2,1,1]=4 45 B11R2.2 c1csc(-c2cscn2)c1 Amb17400243 [0,0,0,0,0,0|4,0,0]=4 46 B11R2.2 c1csc(-c2cscn2)n1 Amb27753746 [0,0,0,0,0,0|2,1,1]=4 47 B11R2.2 c1csc(-c2csnn2)c1 Amb2409842 [0,0,0,0,0,0|3,0,0]=3 48 B11R2.2 c1csc(-c2nccs2)c1 Amb10601016 [0,0,0,0,0,0|2,1,0]=3 49 B11R2.2 c1csc(-c2nccs2)n1 Amb2611736 [0,0,0,0,0,0|2,1,1]=4 50 B11R2.2 c1csc(-n2cccn2)c1 Amb20242320 [0,0,0,0,0,0|4,0,0]=4 51 B11R2.2 c1csc(C2=NCCC2)c1 Amb1212259 [0,0,0,0,0,0|3,0,1]=4 52 B11R2.2 c1csc(C2=NCCN2)c1 Amb6892270 [0,0,0,0,0,0|3,0,1]=4 53 B11R2.2 c1nc(-c2cnco2)co1 Amb23437037 [0,0,0,0,0,0|2,0,1]=3 54 B11R2.2 c1nc(-c2cncs2)no1 Amb28323484 [0,0,0,0,0,0|4,0,0]=4 55 B11R2.2 c1ncc(-c2ccsc2)o1 Amb23437042 [0,0,0,0,0,0|3,0,0]=3 56 B11R2.2 c1ncc(-c2cnco2)o1 Amb23437038 [0,0,0,0,0,0|3,0,0]=3 57 B11R2.2 c1ncc(-c2cncs2)o1 Amb23402877 [0,0,0,0,0,0|3,0,0]=3 58 B11R2.2 c1ncc(-c2cncs2)s1 Amb27215620 [0,0,0,0,0,0|3,1,0]=4 59 B11R2.2 c1ncc(-c2cscn2)o1 Amb23402875 [0,0,0,0,0,0|2,0,1]=3 60 B11R2.2 c1nnc(C2CCCN2)o1 Amb17079559 [0,0,0,0,0,0|0,0,4]=4 61 B12R2.6 Brc1cc(-c2ccco2)no1 Amb28398163 [0,1,0,0,0,0|3,0,0]=4 62 B12R2.6 Brc1cc(-c2cnco2)co1 Amb35652447 [0,1,0,0,0,0|3,0,0]=4 63 B12R2.6 Brc1cc(-c2cnco2)cs1 Amb35652458 [0,1,0,0,0,0|3,0,0]=4 64 B12R2.6 Brc1ccc(-c2ccco2)s1 Amb18675170 [0,1,0,0,0,0|3,0,0]=4 65 B12R2.6 Brc1ccc(-c2cccs2)o1 Amb18141194 [0,1,0,0,0,0|3,0,0]=4 66 B12R2.6 Brc1ccc(-c2ccno2)s1 Amb2685287 [0,1,0,0,0,0|3,0,0]=4 67 B12R2.6 Brc1ccc(-c2cnco2)o1 Amb30019095 [0,1,0,0,0,0|2,0,0]=3 68 B12R2.6 Brc1ccc(-c2cnco2)s1 Amb2778985 [0,1,0,0,0,0|2,0,0]=3 69 B12R2.6 Brc1ccc(-c2ncco2)s1 Amb27421401 [0,1,0,0,0,0|2,0,0]=3 70 B12R2.6 Brc1ccc(-c2nccs2)o1 Amb10600572 [0,1,0,0,0,0|2,1,0]=4 71 B12R2.6 Brc1ccc(-c2nccs2)s1 Amb10600571 [0,1,0,0,0,0|2,1,0]=4 72 B12R2.6 Brc1ccc(-c2nnco2)s1 Amb26019433 [0,1,0,0,0,0|1,0,0]=2 73 B12R2.6 Brc1cnc(-c2ccco2)o1 Amb27398204 [0,1,0,0,0,0|2,0,0]=3 74 B12R2.6 Brc1cnc(-c2ccco2)s1 Amb10600274 [0,1,0,0,0,0|2,1,0]=4 75 B12R2.6 Brc1cnc(-c2cccs2)o1 Amb27196434 [0,1,0,0,0,0|2,0,0]=3 76 B12R2.6 Brc1cnc(-c2cccs2)s1 Amb10599453 [0,1,0,0,0,0|2,1,0]=4 77 B12R2.6 Brc1cnc(-c2ccoc2)o1 Amb27236967 [0,1,0,0,0,0|3,0,0]=4 78 B12R2.6 Brc1cnc(-c2ccsc2)o1 Amb27823668 [0,1,0,0,0,0|3,0,0]=4 79 B12R2.6 Brc1cnn(-c2nncs2)c1 Amb27789138 [0,1,0,0,0,0|1,1,1]=4 80 B12R2.6 Brc1csc(-c2ccco2)c1 Amb18143123 [0,1,0,0,0,0|3,0,0]=4 81 B12R2.6 Brc1csc(-c2ccco2)n1 Amb10599946 [0,1,0,0,0,0|2,1,0]=4 82 B12R2.6 Brc1csc(-c2cccs2)n1 Amb10599949 [0,1,0,0,0,0|2,1,0]=4 83 B12R2.6 Brc1csc(-c2ccno2)c1 Amb27982121 [0,1,0,0,0,0|3,0,0]=4 84 B12R2.6 Brc1csc(-c2nccs2)c1 Amb27443504 [0,1,0,0,0,0|2,1,0]=4 85 B12R2.6 Brc1ncc(-c2ccco2)s1 Amb13884329 [0,1,0,0,0,0|2,1,0]=4 86 B12R2.6 Brc1ncc(-c2cccs2)s1 Amb13884327 [0,1,0,0,0,0|2,1,0]=4 87 B12R2.6 Brc1ncc(-c2ncco2)s1 Amb27421400 [0,1,0,0,0,0|3,0,0]=4 88 B12R2.6 Brc1nnc(-c2ccco2)o1 Amb18066851 [0,1,0,0,0,0|1,0,0]=2 89 B12R2.6 Brc1nnc(-c2ccco2)s1 Amb35678482 [0,1,0,0,0,0|1,1,0]=3 90 B12R2.6 Brc1nnc(-c2cccs2)o1 Amb18572795 [0,1,0,0,0,0|1,0,0]=2 91 B12R2.6 Brc1nnc(-c2ccoc2)s1 Amb35678481 [0,1,0,0,0,0|2,1,0]=4 92 B12R2.6 Brc1nnc(-c2ccon2)o1 Amb27397959 [0,1,0,0,0,0|1,0,1]=3 93 B12R2.6 Brc1nnc(-c2ccon2)s1 Amb24625100 [0,1,0,0,0,0|1,1,1]=4 94 B12R2.6 Brc1nnc(-c2ccsc2)o1 Amb28454272 [0,1,0,0,0,0|2,0,0]=3 95 B12R2.6 Brc1nnc(-c2ccsc2)s1 Amb35678483 [0,1,0,0,0,0|2,1,0]=4 96 B12R2.6 Brc1nnc(-c2cscn2)s1 Amb29858907 [0,1,0,0,0,0|1,1,1]=4 97 B12R2.6 Cc1cc(-c2ccco2)on1 Amb24562837 [0,1,0,0,0,0|3,0,0]=4 98 B12R2.6 Cc1cc(-c2cccs2)on1 Amb25145881 [0,1,0,0,0,0|3,0,0]=4 99 B12R2.6 Cc1cc(-c2cnco2)co1 Amb35652616 [0,1,0,0,0,0|3,0,0]=4 100 B12R2.6 Cc1cc(-c2cnco2)cs1 Amb35652476 [0,1,0,0,0,0|3,0,0]=4 101 B12R2.6 Cc1cc(-c2cnco2)no1 Amb27154400 [0,1,0,0,0,0|2,0,1]=4 102 B12R2.6 Cc1cc(-c2cnco2)on1 Amb24707812 [0,1,0,0,0,0|3,0,0]=4 103 B12R2.6 Cc1ccc(-c2ccno2)s1 Amb25320832 [0,1,0,0,0,0|3,0,0]=4 104 B12R2.6 Cc1ccc(-c2cnco2)o1 Amb35652260 [0,1,0,0,0,0|2,0,0]=3 105 B12R2.6 Cc1ccc(-c2cnco2)s1 Amb30019086 [0,1,0,0,0,0|2,0,0]=3 106 B12R2.6 Cc1ccc(-c2nnco2)s1 Amb22009777 [0,1,0,0,0,0|1,0,0]=2 107 B12R2.6 Cc1csc(-c2ccco2)n1 Amb17232537 [0,1,0,0,0,0|2,1,0]=4 108 B12R2.6 Cc1csc(-c2cccs2)n1 Amb9808864 [0,1,0,0,0,0|2,1,0]=4 109 B12R2.6 Cc1csc(-c2ccno2)c1 Amb26039129 [0,1,0,0,0,0|3,0,0]=4 110 B12R2.6 Cc1csc(-c2cnco2)c1 Amb35647960 [0,1,0,0,0,0|2,0,0]=3 111 B12R2.6 Cc1nc(-c2cccs2)no1 Amb2767161 [0,1,0,0,0,0|3,0,0]=4 112 B12R2.6 Cc1nc(-c2cnco2)cs1 Amb35652454 [0,1,0,0,0,0|2,0,1]=4 113 B12R2.6 Cc1ncc(-c2cnco2)s1 Amb35652470 [0,1,0,0,0,0|3,0,0]=4 114 B12R2.6 Cc1nnc(-c2cccs2)o1 Amb20406768 [0,1,0,0,0,0|1,0,0]=2 115 B12R2.6 Cc1nnc(-c2cccs2)s1 Amb28291871 [0,1,0,0,0,0|1,1,0]=3 116 B12R2.6 Cc1nnc(-c2ccsc2)o1 Amb20406436 [0,1,0,0,0,0|2,0,0]=3 117 B12R2.6 Cc1nnc(-c2cnoc2)o1 Amb27783246 [0,1,0,0,0,0|3,0,0]=4 118 B12R2.6 Cc1nnc(-c2cnsn2)o1 Amb27982827 [0,1,0,0,0,0|2,0,1]=4 119 B12R2.6 Cc1nnc(-n2cccc2)s1 Amb2589371 [0,1,0,0,0,0|2,1,0]=4 120 B12R2.6 Cc1noc(-c2ccco2)n1 Amb21936791 [0,1,0,0,0,0|3,0,0]=4 121 B12R2.6 Cc1noc(-c2cccs2)n1 Amb21936800 [0,1,0,0,0,0|3,0,0]=4 122 B12R2.6 Clc1cc(-c2cnco2)cs1 Amb35652504 [0,1,0,0,0,0|3,0,0]=4 123 B12R2.6 Clc1ccc(-c2ccco2)s1 Amb27172500 [0,1,0,0,0,0|3,0,0]=4 124 B12R2.6 Clc1ccc(-c2ccon2)s1 Amb27197775 [0,1,0,0,0,0|3,0,0]=4 125 B12R2.6 Clc1ccc(-c2cnco2)o1 Amb35647895 [0,1,0,0,0,0|2,0,0]=3 126 B12R2.6 Clc1ccc(-c2cnco2)s1 Amb35652254 [0,1,0,0,0,0|2,0,0]=3 127 B12R2.6 Clc1ccc(-c2nccs2)s1 Amb17237400 [0,1,0,0,0,0|2,1,0]=4 128 B12R2.6 Clc1nc(-c2ccco2)ns1 Amb27600650 [0,1,0,0,0,0|3,0,0]=4 129 B12R2.6 Clc1nc(-c2cccs2)ns1 Amb3429826 [0,1,0,0,0,0|3,0,0]=4 130 B12R2.6 Clc1nnc(-c2ccco2)o1 Amb18065481 [0,1,0,0,0,0|1,0,0]=2 131 B12R2.6 Clc1nnc(-c2cccs2)o1 Amb18564404 [0,1,0,0,0,0|1,0,0]=2 132 B12R2.6 Clc1nnc(-c2ccon2)o1 Amb27198395 [0,1,0,0,0,0|1,0,1]=3 133 B12R2.6 Clc1nnc(-c2ccon2)s1 Amb24477586 [0,1,0,0,0,0|1,1,1]=4 134 B12R2.6 Clc1nnc(-c2cncs2)s1 Amb27604873 [0,1,0,0,0,0|2,1,0]=4 135 B12R2.6 Clc1nnc(-c2cnns2)o1 Amb28285058 [0,1,0,0,0,0|3,0,0]=4 136 B12R2.6 Clc1nnc(-c2cscn2)o1 Amb27813757 [0,1,0,0,0,0|1,0,1]=3 137 B12R2.6 Clc1nnc(-c2csnn2)o1 Amb27945729 [0,1,0,0,0,0|2,0,1]=4 138 B12R2.6 Clc1noc(-c2ccco2)n1 Amb25151861 [0,1,0,0,0,0|3,0,0]=4 139 B12R2.6 Clc1noc(-c2cccs2)n1 Amb26989181 [0,1,0,0,0,0|3,0,0]=4 140 B12R2.6 Clc1nsc(-c2cccs2)n1 Amb28421985 [0,1,0,0,0,0|3,0,0]=4 141 B12R2.6 Cn1ccc(-c2ccco2)n1 Amb28369568 [0,1,0,0,0,0|2,0,1]=4 142 B12R2.6 Cn1ccc(-c2cccs2)n1 Amb2406849 [0,1,0,0,0,0|2,0,1]=4 143 B12R2.6 Cn1ccc(-c2cnco2)n1 Amb35652462 [0,1,0,0,0,0|2,0,1]=4 144 B12R2.6 Cn1cnc(-c2cnco2)c1 Amb35652449 [0,1,0,0,0,0|2,0,1]=4 145 B12R2.6 Cn1nnc(-c2ccco2)n1 Amb27425270 [0,1,0,0,0,0|3,0,0]=4 146 B12R2.6 Ic1cc(-c2cnco2)cs1 Amb35652479 [0,1,0,0,0,0|3,0,0]=4 147 B12R2.6 Ic1nnc(-c2ccsc2)s1 Amb27836151 [0,1,0,0,0,0|2,1,0]=4 148 B12R2.6 Ic1nnc(-c2cscn2)o1 Amb28246260 [0,1,0,0,0,0|1,0,1]=3 149 B12R2.6 Ic1nnc(-c2csnn2)o1 Amb28070653 [0,1,0,0,0,0|2,0,1]=4 150 B12R2.6 Ic1noc(-c2cccs2)n1 Amb28059315 [0,1,0,0,0,0|3,0,0]=4 151 B12R2.6 NC1=NC(=C2NC=CN2)C=C1 Amb27767947 [0,1,0,0,0,0|3,0,0]=4 152 B12R2.6 Nc1cc(-c2ccco2)no1 Amb1133277 [0,1,0,0,0,0|3,0,0]=4 153 B12R2.6 Nc1cc(-c2cccs2)no1 Amb1132912 [0,1,0,0,0,0|3,0,0]=4 154 B12R2.6 Nc1cc(-c2cccs2)on1 Amb17334672 [0,1,0,0,0,0|3,0,0]=4 155 B12R2.6 Nc1cc(-c2cccs2)on1 Amb28652909 [0,1,0,0,0,0|3,0,0]=4 156 B12R2.6 Nc1cc(-c2cnco2)cs1 Amb18827724 [0,1,0,0,0,0|3,0,0]=4 157 B12R2.6 Nc1cc(-c2cnco2)no1 Amb33321231 [0,1,0,0,0,0|2,0,1]=4 158 B12R2.6 Nc1cc(-c2cnco2)on1 Amb33319534 [0,1,0,0,0,0|3,0,0]=4 159 B12R2.6 Nc1ccc(-c2ccco2)s1 Amb18141183 [0,1,0,0,0,0|3,0,0]=4 160 B12R2.6 Nc1ccc(-c2ncno2)s1 Amb18944553 [0,1,0,0,0,0|3,0,0]=4 161 B12R2.6 Nc1ccn(-c2ncco2)n1 Amb18831308 [0,1,0,0,0,0|2,0,1]=4 162 B12R2.6 Nc1ccn(-c2nncs2)n1 Amb27401272 [0,1,0,0,0,0|1,1,1]=4 163 B12R2.6 Nc1cnc(-c2ccco2)o1 Amb18065312 [0,1,0,0,0,0|2,0,0]=3 164 B12R2.6 Nc1cnc(-c2ccco2)s1 Amb10600275 [0,1,0,0,0,0|2,1,0]=4 165 B12R2.6 Nc1cnc(-c2cccs2)o1 Amb18563721 [0,1,0,0,0,0|2,0,0]=3 166 B12R2.6 Nc1cnc(-c2cccs2)s1 Amb10599454 [0,1,0,0,0,0|2,1,0]=4 167 B12R2.6 Nc1cnc(-c2ccoc2)o1 Amb27952879 [0,1,0,0,0,0|3,0,0]=4 168 B12R2.6 Nc1csc(-c2ccco2)n1 Amb10599947 [0,1,0,0,0,0|2,1,0]=4 169 B12R2.6 Nc1csc(-c2cccs2)n1 Amb10599950 [0,1,0,0,0,0|2,1,0]=4 170 B12R2.6 Nc1nc(-c2ccco2)no1 Amb17232086 [0,1,0,0,0,0|3,0,0]=4 171 B12R2.6 Nc1nc(-c2cccs2)no1 Amb17232634 [0,1,0,0,0,0|3,0,0]=4 172 B12R2.6 Nc1nc(-c2cccs2)ns1 Amb2577396 [0,1,0,0,0,0|3,0,0]=4 173 B12R2.6 Nc1nc(-c2cnco2)cs1 Amb33321234 [0,1,0,0,0,0|2,0,1]=4 174 B12R2.6 Nc1ncc(-c2ccco2)o1 Amb23440829 [0,1,0,0,0,0|2,0,0]=3 175 B12R2.6 Nc1ncc(-c2ccco2)s1 Amb13884189 [0,1,0,0,0,0|2,1,0]=4 176 B12R2.6 Nc1ncc(-c2cccs2)o1 Amb17232585 [0,1,0,0,0,0|2,0,0]=3 177 B12R2.6 Nc1ncc(-c2cccs2)s1 Amb1109164 [0,1,0,0,0,0|2,1,0]=4 178 B12R2.6 Nc1ncc(-c2ccoc2)o1 Amb32954312 [0,1,0,0,0,0|3,0,0]=4 179 B12R2.6 Nc1ncc(-c2ccon2)o1 Amb33226175 [0,1,0,0,0,0|2,0,1]=4 180 B12R2.6 Nc1ncc(-c2ccsc2)o1 Amb33358563 [0,1,0,0,0,0|3,0,0]=4 181 B12R2.6 Nc1ncc(-c2cnco2)o1 Amb33319174 [0,1,0,0,0,0|3,0,0]=4 182 B12R2.6 Nc1ncc(-c2cncs2)o1 Amb33268017 [0,1,0,0,0,0|3,0,0]=4 183 B12R2.6 Nc1ncc(-c2cscn2)o1 Amb33417264 [0,1,0,0,0,0|2,0,1]=4 184 B12R2.6 Nc1ncc(-c2nccs2)o1 Amb33197304 [0,1,0,0,0,0|2,0,1]=4 185 B12R2.6 Nc1nnc(-c2ccco2)o1 Amb1102628 [0,1,0,0,0,0|1,0,0]=2 186 B12R2.6 Nc1nnc(-c2ccco2)s1 Amb1158082 [0,1,0,0,0,0|1,1,0]=3 187 B12R2.6 Nc1nnc(-c2cccs2)o1 Amb1102297 [0,1,0,0,0,0|1,0,0]=2 188 B12R2.6 Nc1nnc(-c2cccs2)s1 Amb6335615 [0,1,0,0,0,0|1,1,0]=3 189 B12R2.6 Nc1nnc(-c2ccno2)o1 Amb9174229 [0,1,0,0,0,0|2,0,0]=3 190 B12R2.6 Nc1nnc(-c2ccoc2)s1 Amb836410 [0,1,0,0,0,0|2,1,0]=4 191 B12R2.6 Nc1nnc(-c2ccsc2)o1 Amb6248312 [0,1,0,0,0,0|2,0,0]=3 192 B12R2.6 Nc1nnc(-c2ccsc2)s1 Amb6682822 [0,1,0,0,0,0|2,1,0]=4 193 B12R2.6 Nc1nnc(-c2cncs2)o1 Amb28050856 [0,1,0,0,0,0|2,0,0]=3 194 B12R2.6 Nc1nnc(-c2cnns2)o1 Amb27257053 [0,1,0,0,0,0|3,0,0]=4 195 B12R2.6 Nc1nnc(-c2cscn2)o1 Amb18949090 [0,1,0,0,0,0|1,0,1]=3 196 B12R2.6 Nc1nnc(-c2cscn2)s1 Amb18280929 [0,1,0,0,0,0|1,1,1]=4 197 B12R2.6 Nc1nnc(-c2ncco2)s1 Amb22551839 [0,1,0,0,0,0|1,1,1]=4 198 B12R2.6 Nc1noc(-c2ccco2)n1 Amb22059304 [0,1,0,0,0,0|3,0,0]=4 199 B12R2.6 Nc1noc(-c2cccs2)n1 Amb18126471 [0,1,0,0,0,0|3,0,0]=4 200 B12R2.6 Nc1nsc(-c2ccco2)n1 Amb18199503 [0,1,0,0,0,0|3,0,0]=4 201 B12R2.6 Nc1nsc(-c2cccs2)n1 Amb18823207 [0,1,0,0,0,0|3,0,0]=4 202 B12R2.6 Nn1cnc(-c2ccco2)n1 Amb27409381 [0,1,0,0,0,0|2,0,1]=4 203 B12R2.6 O=C1CC(c2ccco2)=NN1 Amb24053123 [0,1,0,0,0,0|2,0,1]=4 204 B12R2.6 O=C1CC(c2cccs2)=NN1 Amb2692464 [0,1,0,0,0,0|2,0,1]=4 205 B12R2.6 O=C1CN=C(c2ccco2)O1 Amb26643957 [0,1,0,0,0,0|2,0,0]=3 206 B12R2.6 O=C1NC(c2cccs2)=NO1 Amb18793025 [0,1,0,0,0,0|3,0,0]=4 207 B12R2.6 O=C1NC(c2nccs2)=CS1 Amb27395456 [0,1,0,0,0,0|2,1,0]=4 208 B12R2.6 O=C1NN=C(c2ccco2)O1 Amb19422772 [0,1,0,0,0,0|1,0,1]=3 209 B12R2.6 O=C1NN=C(c2cccs2)O1 Amb18805794 [0,1,0,0,0,0|1,0,1]=3 210 B12R2.6 O=C1NN=C(c2ccoc2)O1 Amb27440833 [0,1,0,0,0,0|2,0,1]=4 211 B12R2.6 O=C1NN=C(c2ccsc2)O1 Amb27975687 [0,1,0,0,0,0|2,0,1]=4 212 B12R2.6 O=C1NN=C(c2cncs2)O1 Amb28050857 [0,1,0,0,0,0|2,0,1]=4 213 B12R2.6 O=C1NN=C(c2cocn2)O1 Amb27670073 [0,1,0,0,0,0|1,0,2]=4 214 B12R2.6 O=C1NN=C(c2cscn2)O1 Amb26880296 [0,1,0,0,0,0|1,0,2]=4 215 B12R2.6 Oc1cc(-c2ccco2)no1 Amb20672893 [0,1,0,0,0,0|3,0,0]=4 216 B12R2.6 Oc1cc(-c2ccco2)on1 Amb26853717 [0,1,0,0,0,0|3,0,0]=4 217 B12R2.6 Oc1cc(-c2cccs2)no1 Amb20672777 [0,1,0,0,0,0|3,0,0]=4 218 B12R2.6 Oc1cnc(-c2ccco2)s1 Amb10600276 [0,1,0,0,0,0|2,1,0]=4 219 B12R2.6 Oc1cnc(-c2cccs2)s1 Amb10599455 [0,1,0,0,0,0|2,1,0]=4 220 B12R2.6 Oc1csc(-c2ccco2)n1 Amb10599948 [0,1,0,0,0,0|2,1,0]=4 221 B12R2.6 Oc1csc(-c2cccs2)n1 Amb10599951 [0,1,0,0,0,0|2,1,0]=4 222 B12R2.6 Oc1ncc(-c2ccco2)s1 Amb13884328 [0,1,0,0,0,0|2,1,0]=4 223 B12R2.6 Oc1ncc(-c2cccs2)s1 Amb13884326 [0,1,0,0,0,0|2,1,0]=4 224 B12R2.6 S=C1NC(c2cccs2)=NO1 Amb20633502 [0,1,0,0,0,0|3,0,0]=4 225 B12R2.6 S=C1NC=C(c2ccco2)O1 Amb28070948 [0,1,0,0,0,0|2,0,1]=4 226 B12R2.6 S=C1NN=C(c2ccco2)N1 Amb17992013 [0,1,0,0,0,0|2,0,1]=4 227 B12R2.6 S=C1NN=C(c2ccco2)O1 Amb19200129 [0,1,0,0,0,0|1,0,1]=3 228 B12R2.6 S=C1NN=C(c2cccs2)N1 Amb18114462 [0,1,0,0,0,0|2,0,1]=4 229 B12R2.6 S=C1NN=C(c2cccs2)O1 Amb19200117 [0,1,0,0,0,0|1,0,1]=3 230 B12R2.6 S=C1NN=C(c2cncs2)O1 Amb18917889 [0,1,0,0,0,0|2,0,1]=4 231 B12R2.6 Sc1nc(-c2cccs2)no1 Amb18316520 [0,1,0,0,0,0|3,0,0]=4 232 B12R2.6 Sc1nnc(-c2ccco2)o1 Amb6384690 [0,1,0,0,0,0|1,0,0]=2 233 B12R2.6 Sc1nnc(-c2ccco2)s1 Amb25836816 [0,1,0,0,0,0|1,1,0]=3 234 B12R2.6 Sc1nnc(-c2cccs2)o1 Amb6335754 [0,1,0,0,0,0|1,0,0]=2 235 B12R2.6 Sc1nnc(-c2cccs2)s1 Amb766616 [0,1,0,0,0,0|1,1,0]=3 236 B12R2.6 Sc1nnc(-c2ccns2)s1 Amb28142483 [0,1,0,0,0,0|2,1,0]=4 237 B12R2.6 Sc1nnc(-c2ccon2)o1 Amb18185591 [0,1,0,0,0,0|1,0,1]=3 238 B12R2.6 Sc1nnc(-c2ccsc2)o1 Amb9211857 [0,1,0,0,0,0|2,0,0]=3 239 B12R2.6 Sc1nnc(-c2ccsn2)s1 Amb27235749 [0,1,0,0,0,0|1,1,1]=4 240 B12R2.6 Sc1nnc(-c2cncs2)s1 Amb35616693 [0,1,0,0,0,0|2,1,0]=4 241 B12R2.6 Sc1nnc(-c2cnns2)o1 Amb27815947 [0,1,0,0,0,0|3,0,0]=4 242 B12R2.6 Sc1nnc(-c2cscn2)o1 Amb19037865 [0,1,0,0,0,0|1,0,1]=3 243 B12R2.6 Sc1nnc(-n2cccc2)s1 Amb24740332 [0,1,0,0,0,0|2,1,0]=4 244 B12R2.10 Brc1ccoc1-c2cnco2 Amb35652481 [0,1,0,0,0,0|2,0,0]=3 245 B12R2.10 Brc1ccsc1-c2cnco2 Amb35647950 [0,1,0,0,0,0|2,0,0]=3 246 B12R2.10 Brc1cscc1-c2cnco2 Amb35652487 [0,1,0,0,0,0|3,0,0]=4 247 B12R2.10 Brc1csnc1-c2cnco2 Amb35655913 [0,1,0,0,0,0|2,0,1]=4 248 B12R2.10 Brc1ncsc1-c2ccco2 Amb18161161 [0,1,0,0,0,0|2,1,0]=4 249 B12R2.10 Brc1ncsc1-c2cccs2 Amb18717823 [0,1,0,0,0,0|2,1,0]=4 250 B12R2.10 Brc1occc1-c2cnco2 Amb35652499 [0,1,0,0,0,0|3,0,0]=4 251 B12R2.10 Brc1sccc1-c2cnco2 Amb30038052 [0,1,0,0,0,0|3,0,0]=4 252 B12R2.10 Brc1scnc1-c2cnco2 Amb30038057 [0,1,0,0,0,0|2,0,1]=4 253 B12R2.10 Cc1ccoc1-c2cnco2 Amb35647911 [0,1,0,0,0,0|2,0,0]=3 254 B12R2.10 Cc1ccsc1-c2ccno2 Amb27955144 [0,1,0,0,0,0|3,0,0]=4 255 B12R2.10 Cc1ccsc1-c2cnco2 Amb30019085 [0,1,0,0,0,0|2,0,0]=3 256 B12R2.10 Cc1cscc1-c2cnco2 Amb35652507 [0,1,0,0,0,0|3,0,0]=4 257 B12R2.10 Cc1ncoc1-c2ccco2 Amb17399913 [0,1,0,0,0,0|2,0,0]=3 258 B12R2.10 Cc1ncoc1-c2cccs2 Amb17400189 [0,1,0,0,0,0|2,0,0]=3 259 B12R2.10 Cc1ncoc1-c2cnco2 Amb35652489 [0,1,0,0,0,0|3,0,0]=4 260 B12R2.10 Cc1ncoc1-c2nnco2 Amb27968090 [0,1,0,0,0,0|2,0,0]=3 261 B12R2.10 Cc1ncoc1-c2nncs2 Amb28368617 [0,1,0,0,0,0|2,1,0]=4 262 B12R2.10 Cc1ncsc1-c2ccco2 Amb17400188 [0,1,0,0,0,0|2,1,0]=4 263 B12R2.10 Cc1ncsc1-c2cccs2 Amb17400892 [0,1,0,0,0,0|2,1,0]=4 264 B12R2.10 Cc1ncsc1-c2cnco2 Amb25825926 [0,1,0,0,0,0|3,0,0]=4 265 B12R2.10 Cc1occc1-c2cnco2 Amb35647900 [0,1,0,0,0,0|3,0,0]=4 266 B12R2.10 Cc1occc1-c2nnco2 Amb26412003 [0,1,0,0,0,0|2,0,0]=3 267 B12R2.10 Cc1ocnc1-c2nnco2 Amb25178796 [0,1,0,0,0,0|1,0,1]=3 268 B12R2.10 Clc1ccsc1-c2cnco2 Amb35644436 [0,1,0,0,0,0|2,0,0]=3 269 B12R2.10 Clc1occc1-c2cnco2 Amb35652628 [0,1,0,0,0,0|3,0,0]=4 270 B12R2.10 Cn1cccc1-c2ccno2 Amb27612958 [0,1,0,0,0,0|2,0,0]=3 271 B12R2.10 Cn1cccc1-c2cscn2 Amb27765732 [0,1,0,0,0,0|3,0,0]=4 272 B12R2.10 Cn1cccc1-c2csnn2 Amb28287796 [0,1,0,0,0,0|2,0,0]=3 273 B12R2.10 Cn1cccc1-c2nnco2 Amb24717926 [0,1,0,0,0,0|0,0,0]=1 274 B12R2.10 Cn1cccc1C2=NCCC2 Amb23308568 [0,1,0,0,0,0|2,0,1]=4 275 B12R2.10 Cn1cccc1C2=NCCO2 Amb28286944 [0,1,0,0,0,0|1,0,1]=3 276 B12R2.10 Cn1ccnc1-c2ccco2 Amb17232036 [0,1,0,0,0,0|3,0,0]=4 277 B12R2.10 Cn1ccnc1-c2cccs2 Amb17232480 [0,1,0,0,0,0|3,0,0]=4 278 B12R2.10 Cn1ccnc1-c2cncs2 Amb25087326 [0,1,0,0,0,0|2,1,0]=4 279 B12R2.10 Cn1cncc1-c2ccco2 Amb24465119 [0,1,0,0,0,0|3,0,0]=4 280 B12R2.10 Cn1cncc1-c2cnco2 Amb35652450 [0,1,0,0,0,0|2,0,0]=3 281 B12R2.10 Cn1cnnc1-c2cccs2 Amb27401006 [0,1,0,0,0,0|2,0,0]=3 282 B12R2.10 Cn1cnnc1-c2cncs2 Amb27627904 [0,1,0,0,0,0|3,0,0]=4 283 B12R2.10 Cn1cnnc1-c2cscn2 Amb27758373 [0,1,0,0,0,0|2,0,1]=4 284 B12R2.10 Cn1cnnc1-n2cccn2 Amb35616193 [0,1,0,0,0,0|2,0,1]=4 285 B12R2.10 Cn1cnnc1C2C=CCN2 Amb27199346 [0,1,0,0,0,0|1,0,2]=4 286 B12R2.10 Cn1nccc1-c2cccs2 Amb22494440 [0,1,0,0,0,0|2,0,1]=4 287 B12R2.10 Cn1nccc1-c2cnco2 Amb35652459 [0,1,0,0,0,0|2,0,0]=3 288 B12R2.10 Cn1nccc1-c2nccs2 Amb22494454 [0,1,0,0,0,0|2,1,0]=4 289 B12R2.10 Fc1ccsc1-c2cnco2 Amb35652509 [0,1,0,0,0,0|2,0,0]=3 290 B12R2.10 Ic1ccsc1-c2cnco2 Amb35652478 [0,1,0,0,0,0|2,0,0]=3 291 B12R2.10 Nc1ccsc1-c2ncco2 Amb18199634 [0,1,0,0,0,0|2,0,0]=3 292 B12R2.10 Nc1ccsc1-c2nccs2 Amb28123544 [0,1,0,0,0,0|2,1,0]=4 293 B12R2.10 Nc1cnoc1-c2ccco2 Amb18202027 [0,1,0,0,0,0|3,0,0]=4 294 B12R2.10 Nc1cnoc1-c2cccs2 Amb18199636 [0,1,0,0,0,0|3,0,0]=4 295 B12R2.10 Nc1cnoc1-c2cnco2 Amb18201803 [0,1,0,0,0,0|3,0,0]=4 296 B12R2.10 Nc1ncsc1-c2ccco2 Amb18862663 [0,1,0,0,0,0|2,1,0]=4 297 B12R2.10 Nc1ncsc1-c2cccs2 Amb18863026 [0,1,0,0,0,0|2,1,0]=4 298 B12R2.10 Nn1cnnc1-n2cccn2 Amb1043995 [0,1,0,0,0,0|2,0,1]=4 299 B12R2.10 Nn1cnnc1-n2cccn2 Amb22502150 [0,1,0,0,0,0|2,0,1]=4 300 B10R1.9 C\N=C(/OC)c1ccco1 Amb28050248 [0,0,1,0,0,0|2,0,1]=4 301 B10R1.11 CCOC(=N)c1ccco1 Amb27837592 [0,0,1,0,0,0|2,0,1]=4 302 B10R1.11 CCOC(=N)c1cccs1 Amb18791658 [0,0,1,0,0,0|2,0,1]=4 303 B10R1.11 CCOC(=N)c1cccs1 Amb20673166 [0,0,1,0,0,0|2,0,1]=4 304 B10R1.21 O=CN\N=C\c1ccco1 Amb28184754 [0,0,1,0,0,0|1,0,2]=4 305 B10R1.21 OCC\N=C\c1ccco1 Amb17593526 [0,0,1,0,0,0|2,0,1]=4 306 B10R1.21 O\N=C\C=C\c1ccco1 Amb27765781 [0,0,1,0,0,0|3,0,0]=4 307 B12R3.1615 C1=C2CC(O1)c3cccn32 Amb24480389 [0,0,0,1,0,0|2,0,1]=4 308 B12R3.1615 c1cc2n3cncc3c1C2 Amb26549160 [0,0,0,1,0,0|3,0,0]=4 309 B12R3.1615 c1cc2oc1c3cncn23 Amb26548221 [0,0,0,1,0,0|3,0,0]=4 310 B12R3.1615 c1cn2c3ccc(c2n1)C3 Amb25760624 [0,0,0,1,0,0|3,0,0]=4 311 B12R3.1615 c1nc2c3cncn3c1C2 Amb28122934 [0,0,0,1,0,0|3,0,0]=4 312 B12R3.1615 c1nc2oc1c3cnsc23 Amb24365990 [0,0,0,1,0,0|3,0,0]=4 313 B12R2.2 C1=CC(=C2N=CC=N2)C=CN1 Amb24102752 [0,0,0,0,0,1|3,0,0]=4 314 B12R2.2 C1=CN=CC(C2=CNN=N2)=C1 Amb25179924 [0,0,0,0,0,1|2,0,1]=4 315 B12R2.2 C1=CN\C(=C2/C=CN=N2)C=C1 Amb24100389 [0,0,0,0,0,1|1,0,0]=2 316 B12R2.2 c1cc(-c2ccsc2)ncn1 Amb2611580 [0,0,0,0,0,1|3,0,0]=4 317 B12R2.2 c1cc(-c2cnco2)ccn1 Amb591128 [0,0,0,0,0,1|2,0,0]=3 318 B12R2.2 c1cc(-c2cnco2)cnn1 Amb23402870 [0,0,0,0,0,1|2,0,1]=4 319 B12R2.2 c1cc(-c2cnco2)ncn1 Amb23402871 [0,0,0,0,0,1|1,0,1]=3 320 B12R2.2 c1cc(-c2cncs2)ccn1 Amb28256811 [0,0,0,0,0,1|2,1,0]=4 321 B12R2.2 c1cc(-c2csnn2)ccn1 Amb2409837 [0,0,0,0,0,1|3,0,0]=4 322 B12R2.2 c1cc(-c2ncco2)ccn1 Amb10552928 [0,0,0,0,0,1|2,0,0]=3 323 B12R2.2 c1cc(-c2ncco2)ncn1 Amb27613223 [0,0,0,0,0,1|1,0,1]=3 324 B12R2.2 c1cc(-c2nccs2)ccn1 Amb10601031 [0,0,0,0,0,1|2,1,0]=4 325 B12R2.2 c1cc(-c2ncon2)ccn1 Amb28124672 [0,0,0,0,0,1|3,0,0]=4 326 B12R2.2 c1cc(-c2nnco2)ccn1 Amb6566253 [0,0,0,0,0,1|1,0,0]=2 327 B12R2.2 c1ccc(-c2ccco2)cc1 Amb8390025 [0,0,0,0,0,1|3,0,0]=4 328 B12R2.2 c1ccc(-c2ccco2)nc1 Amb25865493 [0,0,0,0,0,1|2,0,1]=4 329 B12R2.2 c1ccc(-c2cccs2)nc1 Amb2765037 [0,0,0,0,0,1|3,0,0]=4 330 B12R2.2 c1ccc(-c2ccno2)cc1 Amb2191136 [0,0,0,0,0,1|3,0,0]=4 331 B12R2.2 c1ccc(-c2ccno2)nc1 Amb26363359 [0,0,0,0,0,1|2,0,1]=4 332 B12R2.2 c1ccc(-c2ccsn2)cc1 Amb24376714 [0,0,0,0,0,1|3,0,0]=4 333 B12R2.2 c1ccc(-c2cnco2)cc1 Amb2725800 [0,0,0,0,0,1|2,0,0]=3 334 B12R2.2 c1ccc(-c2cnco2)nc1 Amb590581 [0,0,0,0,0,1|1,0,1]=3 335 B12R2.2 c1ccc(-c2cncs2)cc1 Amb15691616 [0,0,0,0,0,1|2,1,0]=4 336 B12R2.2 c1ccc(-c2csnn2)cc1 Amb2765982 [0,0,0,0,0,1|3,0,0]=4 337 B12R2.2 c1ccc(-c2csnn2)nc1 Amb2384514 [0,0,0,0,0,1|2,0,1]=4 338 B12R2.2 c1ccc(-c2ncco2)cc1 Amb5494173 [0,0,0,0,0,1|2,0,0]=3 339 B12R2.2 c1ccc(-c2ncco2)nc1 Amb17399897 [0,0,0,0,0,1|1,0,1]=3 340 B12R2.2 c1ccc(-c2nccs2)cc1 Amb13884049 [0,0,0,0,0,1|2,1,0]=4 341 B12R2.2 c1ccc(-c2nccs2)nc1 Amb10601029 [0,0,0,0,0,1|1,1,1]=4 342 B12R2.2 c1ccc(-c2ncno2)cc1 Amb10552927 [0,0,0,0,0,1|3,0,0]=4 343 B12R2.2 c1ccc(-c2ncon2)cc1 Amb28457268 [0,0,0,0,0,1|3,0,0]=4 344 B12R2.2 c1ccc(-c2ncsn2)cc1 Amb27169637 [0,0,0,0,0,1|3,0,0]=4 345 B12R2.2 c1ccc(-c2nn[n-]n2)cc1 Amb22489465 [0,0,0,0,0,1|3,0,0]=4 346 B12R2.2 c1ccc(-c2nnco2)cc1 Amb669572 [0,0,0,0,0,1|1,0,0]=2 347 B12R2.2 c1ccc(-c2nnco2)nc1 Amb10609249 [0,0,0,0,0,1|0,0,1]=2 348 B12R2.2 c1ccc(-n2ccnn2)cc1 Amb5720633 [0,0,0,0,0,1|3,0,0]=4 349 B12R2.2 c1ccc(-n2ccnn2)nc1 Amb25149423 [0,0,0,0,0,1|2,0,1]=4 350 B12R2.2 c1ccc(-n2ncnn2)cc1 Amb25779582 [0,0,0,0,0,1|3,0,0]=4 351 B12R2.2 c1ccc(C2=NCCO2)cc1 Amb18063911 [0,0,0,0,0,1|2,0,1]=4 352 B12R2.2 c1ccc(C2=NCCO2)nc1 Amb24100586 [0,0,0,0,0,1|1,0,2]=4 353 B12R2.2 c1ccn(-c2nccnn2)c1 Amb27752172 [0,0,0,0,0,1|3,0,0]=4 354 B12R2.2 c1cnc(-c2cccs2)nc1 Amb2611576 [0,0,0,0,0,1|3,0,0]=4 355 B12R2.2 c1cnc(-c2ccno2)cn1 Amb27469623 [0,0,0,0,0,1|2,0,1]=4 356 B12R2.2 c1cnc(-c2cnco2)cn1 Amb23402867 [0,0,0,0,0,1|1,0,1]=3 357 B12R2.2 c1cnc(-c2cnco2)nc1 Amb23402873 [0,0,0,0,0,1|1,0,1]=3 358 B12R2.2 c1cnc(-c2cncs2)nc1 Amb25941083 [0,0,0,0,0,1|1,1,1]=4 359 B12R2.2 c1cnc(-c2csnn2)cn1 Amb27633669 [0,0,0,0,0,1|2,0,1]=4 360 B12R2.2 c1cnc(-c2nnco2)cn1 Amb813534 [0,0,0,0,0,1|0,0,1]=2 361 B12R2.2 c1cncc(-c2cccs2)c1 Amb2611628 [0,0,0,0,0,1|3,0,0]=4 362 B12R2.2 c1cncc(-c2cnco2)c1 Amb593000 [0,0,0,0,0,1|1,0,1]=3 363 B12R2.2 c1cncc(-c2csnn2)c1 Amb22044101 [0,0,0,0,0,1|2,0,1]=4 364 B12R2.2 c1cncc(-c2ncco2)c1 Amb17399898 [0,0,0,0,0,1|1,0,1]=3 365 B12R2.2 c1cncc(-c2nccs2)c1 Amb10601030 [0,0,0,0,0,1|1,1,1]=4 366 B12R2.2 c1cncc(-c2ncns2)c1 Amb28048236 [0,0,0,0,0,1|2,0,1]=4 367 B12R2.2 c1cncc(-c2ncon2)c1 Amb577836 [0,0,0,0,0,1|2,0,1]=4 368 B12R2.2 c1cncc(-c2nnco2)c1 Amb1100739 [0,0,0,0,0,1|0,0,1]=2 369 B12R2.2 c1cncc(-n2ccnn2)c1 Amb24085121 [0,0,0,0,0,1|2,0,1]=4 370 B12R2.2 c1cncc(C2=NCCO2)c1 Amb10813641 [0,0,0,0,0,1|1,0,2]=4 371 B12R2.2 c1cnnc(-n2cccc2)c1 Amb28140201 [0,0,0,0,0,1|3,0,0]=4 372 B12R2.2 c1coc(-c2ccncc2)c1 Amb25092136 [0,0,0,0,0,1|3,0,0]=4 373 B12R2.2 c1coc(-c2ccncn2)c1 Amb2611574 [0,0,0,0,0,1|2,0,0]=3 374 B12R2.2 c1coc(-c2cnccn2)c1 Amb24312793 [0,0,0,0,0,1|2,0,1]=4 375 B12R2.2 c1csc(-c2ccncc2)c1 Amb2611627 [0,0,0,0,0,1|3,0,0]=4 376 B12R2.2 c1csc(-c2ccncn2)c1 Amb2611579 [0,0,0,0,0,1|2,0,0]=3 377 B12R2.2 c1csc(-c2cnccn2)c1 Amb10606253 [0,0,0,0,0,1|3,0,0]=4 378 B12R2.2 c1csc(-c2cncnc2)c1 Amb2611578 [0,0,0,0,0,1|3,0,0]=4 379 B12R2.2 c1ncc(-c2cnco2)cn1 Amb23402872 [0,0,0,0,0,1|2,0,1]=4 380 B12R2.98 C1=CCC(Nc2nnco2)C1 Amb27218816 [0,0,0,0,0,1|1,0,2]=4 381 B12R2.98 c1ccn(Nc2nncs2)c1 Amb28249941 [0,0,0,0,0,1|2,1,0]=4 382 B12R2.98 c1cnn(Cc2nnco2)c1 Amb33610730 [0,0,0,0,0,1|1,0,1]=3 383 B12R2.98 c1coc(Cn2ccnn2)c1 Amb35672694 [0,0,0,0,0,1|3,0,0]=4 384 B12R2.98 c1coc(Pc2ccco2)c1 Amb26959966 [0,0,0,0,0,1|3,0,0]=4 385 B12R2.98 c1csc(Cn2ccnn2)c1 Amb35607514 [0,0,0,0,0,1|3,0,0]=4 386 B12R2.98 c1csc(Sc2nccs2)c1 Amb27399358 [0,0,0,0,0,1|2,1,0]=4 387 B9R1.11 C=CC(=O)c1cnco1 Amb33415607 [1,0,1,0,0,0|2,0,0]=4 388 B9R1.11 COC(=N)c1cccs1 Amb17621680 [1,0,1,0,0,0|1,0,1]=4 389 B9R1.12 C=C\N=C\c1cccs1 Amb27240018 [1,0,1,0,0,0|2,0,0]=4 390 B9R1.12 NC\C=C\c1cnco1 Amb33414799 [1,0,1,0,0,0|1,0,1]=4 391 B9R1.12 O=C\C=C\c1cnco1 Amb33414801 [1,0,1,0,0,0|2,0,0]=4 392 B11R1.172 C=C(Cl)CNCc1nnco1 Amb27271852 [0,1,1,0,0,0|0,0,2]=4 393 B11R1.172 O=C(O)C\N=C\c1cccs1 Amb27983815 [0,1,1,0,0,0|2,0,0]=4 394 B13R2.10 Brc1cnc(-c2ccccc2)o1 Amb21864613 [0,1,0,0,0,1|2,0,0]=4 395 B13R2.10 Brc1coc(-c2ccccc2)n1 Amb22235329 [0,1,0,0,0,1|2,0,0]=4 396 B13R2.10 Brc1coc(-c2ccncc2)n1 Amb27779513 [0,1,0,0,0,1|2,0,0]=4 397 B13R2.10 Brc1ncc(-c2ccccc2)o1 Amb19957820 [0,1,0,0,0,1|2,0,0]=4 398 B13R2.10 Brc1ncc(-c2ccccn2)o1 Amb27242479 [0,1,0,0,0,1|1,0,1]=4 399 B13R2.10 Brc1ncc(-c2cccnc2)o1 Amb25876781 [0,1,0,0,0,1|1,0,1]=4 400 B13R2.10 Brc1ncc(-c2ccncc2)o1 Amb26514083 [0,1,0,0,0,1|2,0,0]=4 401 B13R2.10 Brc1nnc(-c2ccccc2)o1 Amb33526436 [0,1,0,0,0,1|1,0,0]=3 402 B13R2.10 Brc1nnc(-c2ccccc2)s1 Amb4449876 [0,1,0,0,0,1|1,1,0]=4 403 B13R2.10 Brc1nnc(-c2ccccn2)o1 Amb18069964 [0,1,0,0,0,1|0,0,1]=3 404 B13R2.10 Brc1nnc(-c2ccccn2)s1 Amb25148447 [0,1,0,0,0,1|0,1,1]=4 405 B13R2.10 Brc1nnc(-c2cccnc2)o1 Amb18070088 [0,1,0,0,0,1|0,0,1]=3 406 B13R2.10 Brc1nnc(-c2cccnc2)s1 Amb4449879 [0,1,0,0,0,1|0,1,1]=4 407 B13R2.10 Brc1nnc(-c2ccncc2)o1 Amb18070094 [0,1,0,0,0,1|1,0,0]=3 408 B13R2.10 Brc1nnc(-c2ccncc2)s1 Amb27254354 [0,1,0,0,0,1|1,1,0]=4 409 B13R2.10 Brc1nnc(-c2ccncn2)o1 Amb27200064 [0,1,0,0,0,1|0,0,1]=3 410 B13R2.10 Brc1nnc(-c2cnccn2)o1 Amb30035122 [0,1,0,0,0,1|0,0,1]=3 411 B13R2.10 Brc1nnc(-c2cnccn2)s1 Amb35678856 [0,1,0,0,0,1|0,1,1]=4 412 B13R2.10 Brc1nnc(-c2cncnc2)o1 Amb28366486 [0,1,0,0,0,1|1,0,1]=4 413 B13R2.10 Cc1cnc(-c2cccnc2)o1 Amb28292404 [0,1,0,0,0,1|1,0,1]=4 414 B13R2.10 Cc1coc(-c2ccccc2)n1 Amb7990046 [0,1,0,0,0,1|2,0,0]=4 415 B13R2.10 Cc1coc(-c2ccccn2)n1 Amb24436519 [0,1,0,0,0,1|1,0,1]=4 416 B13R2.10 Cc1ncc(-c2ccccc2)o1 Amb4139870 [0,1,0,0,0,1|2,0,0]=4 417 B13R2.10 Cc1ncc(-c2ccccn2)o1 Amb27219458 [0,1,0,0,0,1|1,0,1]=4 418 B13R2.10 Cc1ncc(-c2ccncc2)o1 Amb28125630 [0,1,0,0,0,1|2,0,0]=4 419 B13R2.10 Cc1nnc(-c2ccccc2)s1 Amb3550068 [0,1,0,0,0,1|1,1,0]=4 420 B13R2.10 Cc1nnc(-c2ccccn2)s1 Amb3550067 [0,1,0,0,0,1|0,1,1]=4 421 B13R2.10 Cc1nnc(-c2cccnc2)s1 Amb26924923 [0,1,0,0,0,1|0,1,1]=4 422 B13R2.10 Cc1nnc(-c2ccncc2)o1 Amb4417165 [0,1,0,0,0,1|1,0,0]=3 423 B13R2.10 Cc1nnc(-c2ccncc2)s1 Amb26950808 [0,1,0,0,0,1|1,1,0]=4 424 B13R2.10 Cc1nnc(-c2cnccn2)o1 Amb27191996 [0,1,0,0,0,1|0,0,1]=3 425 B13R2.10 Clc1ncc(-c2ccccc2)o1 Amb8388263 [0,1,0,0,0,1|2,0,0]=4 426 B13R2.10 Clc1nnc(-c2ccccc2)o1 Amb18564157 [0,1,0,0,0,1|1,0,0]=3 427 B13R2.10 Clc1nnc(-c2ccccc2)s1 Amb509787 [0,1,0,0,0,1|1,1,0]=4 428 B13R2.10 Clc1nnc(-c2ccccn2)o1 Amb18564188 [0,1,0,0,0,1|0,0,1]=3 429 B13R2.10 Clc1nnc(-c2ccccn2)s1 Amb26072090 [0,1,0,0,0,1|0,1,1]=4 430 B13R2.10 Clc1nnc(-c2cccnc2)o1 Amb18564189 [0,1,0,0,0,1|0,0,1]=3 431 B13R2.10 Clc1nnc(-c2ccncc2)o1 Amb18564190 [0,1,0,0,0,1|1,0,0]=3 432 B13R2.10 Clc1nnc(-c2ccncc2)s1 Amb26950323 [0,1,0,0,0,1|1,1,0]=4 433 B13R2.10 Clc1nnc(-c2ccncn2)o1 Amb27965708 [0,1,0,0,0,1|0,0,1]=3 434 B13R2.10 Clc1nnc(-c2cnccn2)o1 Amb28125677 [0,1,0,0,0,1|0,0,1]=3 435 B13R2.10 Clc1nnc(-c2cnccn2)s1 Amb30035117 [0,1,0,0,0,1|0,1,1]=4 436 B13R2.10 Fc1cnc(-c2ccccc2)o1 Amb25083271 [0,1,0,0,0,1|2,0,0]=4 437 B13R2.10 Ic1ncc(-c2ccccc2)o1 Amb22500852 [0,1,0,0,0,1|2,0,0]=4 438 B13R2.10 Ic1ncc(-c2cccnc2)o1 Amb25743955 [0,1,0,0,0,1|1,0,1]=4 439 B13R2.10 Ic1ncc(-c2ccncc2)o1 Amb25194759 [0,1,0,0,0,1|2,0,0]=4 440 B13R2.10 Ic1nnc(-c2ccccc2)s1 Amb33540935 [0,1,0,0,0,1|1,1,0]=4 441 B13R2.10 Ic1nnc(-c2ccccn2)s1 Amb27805907 [0,1,0,0,0,1|0,1,1]=4 442 B13R2.10 Ic1nnc(-c2cccnc2)o1 Amb27493880 [0,1,0,0,0,1|0,0,1]=3 443 B13R2.10 Ic1nnc(-c2cccnc2)s1 Amb24380259 [0,1,0,0,0,1|0,1,1]=4 444 B13R2.10 Ic1nnc(-c2ccncc2)s1 Amb24483575 [0,1,0,0,0,1|1,1,0]=4 445 B13R2.10 Ic1nnc(-c2ccnnc2)o1 Amb27493876 [0,1,0,0,0,1|1,0,1]=4 446 B13R2.10 Ic1nnc(-c2cnccn2)o1 Amb30035123 [0,1,0,0,0,1|0,0,1]=3 447 B13R2.10 Ic1nnc(-c2cnccn2)s1 Amb30035097 [0,1,0,0,0,1|0,1,1]=4 448 B13R2.10 Nc1ccc(-c2ccncn2)o1 Amb18141920 [0,1,0,0,0,1|2,0,0]=4 449 B13R2.10 Nc1ccc(-c2ccncn2)s1 Amb18141543 [0,1,0,0,0,1|2,0,0]=4 450 B13R2.10 Nc1cnc(-c2ccccc2)o1 Amb18563482 [0,1,0,0,0,1|2,0,0]=4 451 B13R2.10 Nc1cnc(-c2ccccn2)o1 Amb18563512 [0,1,0,0,0,1|1,0,1]=4 452 B13R2.10 Nc1cnc(-c2cccnc2)o1 Amb18563513 [0,1,0,0,0,1|1,0,1]=4 453 B13R2.10 Nc1cnc(-c2ccncc2)o1 Amb18563514 [0,1,0,0,0,1|2,0,0]=4 454 B13R2.10 Nc1coc(-c2ccccc2)n1 Amb28126972 [0,1,0,0,0,1|2,0,0]=4 455 B13R2.10 Nc1ncc(-c2ccccc2)o1 Amb16226165 [0,1,0,0,0,1|2,0,0]=4 456 B13R2.10 Nc1ncc(-c2ccccn2)o1 Amb23401930 [0,1,0,0,0,1|1,0,1]=4 457 B13R2.10 Nc1ncc(-c2cccnc2)o1 Amb23401903 [0,1,0,0,0,1|1,0,1]=4 458 B13R2.10 Nc1ncc(-c2ccncc2)o1 Amb23401902 [0,1,0,0,0,1|2,0,0]=4 459 B13R2.10 Nc1ncc(-c2ccncn2)o1 Amb33225510 [0,1,0,0,0,1|1,0,1]=4 460 B13R2.10 Nc1ncc(-c2cnccn2)o1 Amb33429596 [0,1,0,0,0,1|1,0,1]=4 461 B13R2.10 Nc1ncc(-c2ncccn2)o1 Amb33269211 [0,1,0,0,0,1|1,0,1]=4 462 B13R2.10 Nc1nnc(-c2ccccc2)o1 Amb6315854 [0,1,0,0,0,1|1,0,0]=3 463 B13R2.10 Nc1nnc(-c2ccccc2)s1 Amb2720391 [0,1,0,0,0,1|1,1,0]=4 464 B13R2.10 Nc1nnc(-c2ccccc2)s1 Amb6336369 [0,1,0,0,0,1|1,1,0]=4 465 B13R2.10 Nc1nnc(-c2ccccn2)o1 Amb1108794 [0,1,0,0,0,1|0,0,1]=3 466 B13R2.10 Nc1nnc(-c2ccccn2)s1 Amb6682842 [0,1,0,0,0,1|0,1,1]=4 467 B13R2.10 Nc1nnc(-c2cccnc2)o1 Amb1107904 [0,1,0,0,0,1|0,0,1]=3 468 B13R2.10 Nc1nnc(-c2cccnc2)s1 Amb1157302 [0,1,0,0,0,1|0,1,1]=4 469 B13R2.10 Nc1nnc(-c2cccnn2)s1 Amb27438039 [0,1,0,0,0,1|0,1,1]=4 470 B13R2.10 Nc1nnc(-c2ccncc2)o1 Amb1108479 [0,1,0,0,0,1|1,0,0]=3 471 B13R2.10 Nc1nnc(-c2ccncc2)o1 Amb20623427 [0,1,0,0,0,1|1,0,0]=3 472 B13R2.10 Nc1nnc(-c2ccncc2)s1 Amb1157765 [0,1,0,0,0,1|1,1,0]=4 473 B13R2.10 Nc1nnc(-c2ccncn2)o1 Amb26902884 [0,1,0,0,0,1|0,0,1]=3 474 B13R2.10 Nc1nnc(-c2ccncn2)s1 Amb27193366 [0,1,0,0,0,1|0,1,1]=4 475 B13R2.10 Nc1nnc(-c2cnccn2)o1 Amb9173750 [0,1,0,0,0,1|0,0,1]=3 476 B13R2.10 Nc1nnc(-c2cnccn2)s1 Amb17659056 [0,1,0,0,0,1|0,1,1]=4 477 B13R2.10 Nc1nnc(-c2cncnc2)o1 Amb27861862 [0,1,0,0,0,1|1,0,1]=4 478 B13R2.10 O=C1CN=C(c2ccccc2)O1 Amb3987291 [0,1,0,0,0,1|2,0,0]=4 479 B13R2.10 O=C1NC(c2ccncn2)=CS1 Amb27244245 [0,1,0,0,0,1|2,0,0]=4 480 B13R2.10 O=C1NN=C(c2ccccc2)O1 Amb19654483 [0,1,0,0,0,1|1,0,1]=4 481 B13R2.10 O=C1NN=C(c2cccnn2)O1 Amb27642908 [0,1,0,0,0,1|0,0,2]=4 482 B13R2.10 O=C1NN=C(c2ccncc2)O1 Amb21884227 [0,1,0,0,0,1|1,0,1]=4 483 B13R2.10 O=C1NN=C(c2ccncn2)O1 Amb27795115 [0,1,0,0,0,1|0,0,2]=4 484 B13R2.10 Oc1ncc(-c2ccccc2)o1 Amb27168675 [0,1,0,0,0,1|2,0,0]=4 485 B13R2.10 Oc1nnc(-c2ccccc2)o1 Amb6333925 [0,1,0,0,0,1|1,0,0]=3 486 B13R2.10 Oc1nnc(-c2ccccn2)o1 Amb18563561 [0,1,0,0,0,1|0,0,1]=3 487 B13R2.10 Oc1nnc(-c2cccnc2)o1 Amb18563562 [0,1,0,0,0,1|0,0,1]=3 488 B13R2.10 Oc1nnc(-c2cnccn2)o1 Amb16186717 [0,1,0,0,0,1|0,0,1]=3 489 B13R2.10 S=C1N=NC(c2cccnc2)=N1 Amb27791135 [0,1,0,0,0,1|1,0,1]=4 490 B13R2.10 S=C1NC=C(c2ccncn2)N1 Amb28254747 [0,1,0,0,0,1|2,0,0]=4 491 B13R2.10 S=C1NN=C(c2ccccc2)O1 Amb18368613 [0,1,0,0,0,1|1,0,1]=4 492 B13R2.10 S=C1NN=C(c2cccnc2)O1 Amb19767850 [0,1,0,0,0,1|0,0,2]=4 493 B13R2.10 S=C1NN=C(c2ccncc2)O1 Amb21811477 [0,1,0,0,0,1|1,0,1]=4 494 B13R2.10 Sc1ncc(-c2ccccc2)o1 Amb10609267 [0,1,0,0,0,1|2,0,0]=4 495 B13R2.10 Sc1nnc(-c2ccccc2)o1 Amb6355787 [0,1,0,0,0,1|1,0,0]=3 496 B13R2.10 Sc1nnc(-c2ccccc2)s1 Amb3149758 [0,1,0,0,0,1|1,1,0]=4 497 B13R2.10 Sc1nnc(-c2ccccn2)o1 Amb2436682 [0,1,0,0,0,1|0,0,1]=3 498 B13R2.10 Sc1nnc(-c2cccnc2)o1 Amb1080744 [0,1,0,0,0,1|0,0,1]=3 499 B13R2.10 Sc1nnc(-c2cccnc2)s1 Amb1079892 [0,1,0,0,0,1|0,1,1]=4 500 B13R2.10 Sc1nnc(-c2ccncc2)o1 Amb6315739 [0,1,0,0,0,1|1,0,0]=3 501 B13R2.10 Sc1nnc(-c2ccncc2)s1 Amb1083407 [0,1,0,0,0,1|1,1,0]=4 502 B13R2.10 Sc1nnc(-c2ccncn2)o1 Amb26995245 [0,1,0,0,0,1|0,0,1]=3 503 B13R2.10 Sc1nnc(-c2cnccn2)o1 Amb9114478 [0,1,0,0,0,1|0,0,1]=3 504 B13R2.10 Sc1nnc(-c2cnccn2)s1 Amb2773443 [0,1,0,0,0,1|0,1,1]=4 505 B13R2.10 [NH3+]c1nnc(-c2ccccc2)s1 Amb2384448 [0,1,0,0,0,1|1,1,0]=4 506 B13R2.12 Brc1ccc(-c2ccco2)nn1 Amb10599710 [0,1,0,0,0,1|2,0,0]=4 507 B13R2.12 Brc1ccc(-c2cccs2)nn1 Amb10599712 [0,1,0,0,0,1|2,0,0]=4 508 B13R2.12 Brc1ccc(-c2cnco2)cc1 Amb2411537 [0,1,0,0,0,1|2,0,0]=4 509 B13R2.12 Brc1ccc(-c2cnco2)nc1 Amb22736450 [0,1,0,0,0,1|1,0,1]=4 510 B13R2.12 Brc1ccc(-c2ncco2)cc1 Amb18049067 [0,1,0,0,0,1|2,0,0]=4 511 B13R2.12 Brc1ccc(-c2ncco2)nc1 Amb25691454 [0,1,0,0,0,1|1,0,1]=4 512 B13R2.12 Brc1ccc(-c2nnco2)cc1 Amb1157497 [0,1,0,0,0,1|1,0,0]=3 513 B13R2.12 Brc1cnc(-c2ncco2)nc1 Amb24427603 [0,1,0,0,0,1|1,0,1]=4 514 B13R2.12 Cc1ccc(-c2cnco2)cc1 Amb2725704 [0,1,0,0,0,1|2,0,0]=4 515 B13R2.12 Cc1ccc(-c2ncco2)cc1 Amb17400051 [0,1,0,0,0,1|2,0,0]=4 516 B13R2.12 Cc1ccc(-c2nnco2)cc1 Amb1157203 [0,1,0,0,0,1|1,0,0]=3 517 B13R2.12 Cc1ccc(-c2nncs2)cc1 Amb27436186 [0,1,0,0,0,1|1,1,0]=4 518 B13R2.12 Clc1ccc(-c2ccco2)nn1 Amb9174409 [0,1,0,0,0,1|2,0,0]=4 519 B13R2.12 Clc1ccc(-c2cccs2)nn1 Amb2438368 [0,1,0,0,0,1|2,0,0]=4 520 B13R2.12 Clc1ccc(-c2cnco2)cc1 Amb10069208 [0,1,0,0,0,1|2,0,0]=4 521 B13R2.12 Clc1ccc(-c2cnco2)cn1 Amb2408233 [0,1,0,0,0,1|1,0,1]=4 522 B13R2.12 Clc1ccc(-c2ncco2)cc1 Amb17400747 [0,1,0,0,0,1|2,0,0]=4 523 B13R2.12 Clc1ccc(-c2nnco2)cc1 Amb5494147 [0,1,0,0,0,1|1,0,0]=3 524 B13R2.12 Fc1ccc(-c2ncco2)cc1 Amb17400124 [0,1,0,0,0,1|2,0,0]=4 525 B13R2.12 Fc1ccc(-c2nnco2)cc1 Amb21967689 [0,1,0,0,0,1|1,0,0]=3 526 B13R2.12 Fc1ccc(-c2nncs2)cc1 Amb27762678 [0,1,0,0,0,1|1,1,0]=4 527 B13R2.12 Ic1ccc(-c2cnco2)cc1 Amb22736313 [0,1,0,0,0,1|2,0,0]=4 528 B13R2.12 Ic1ccc(-c2ncco2)cc1 Amb5722527 [0,1,0,0,0,1|2,0,0]=4 529 B13R2.12 Ic1ccc(-c2nnco2)cc1 Amb25364976 [0,1,0,0,0,1|1,0,0]=3 530 B13R2.12 Ic1ccc(-c2nncs2)cc1 Amb27237022 [0,1,0,0,0,1|1,1,0]=4 531 B13R2.12 NC1=NN=C(c2cccs2)CS1 Amb25736204 [0,1,0,0,0,1|1,1,0]=4 532 B13R2.12 Nc1ccc(-c2ccco2)nn1 Amb10599711 [0,1,0,0,0,1|2,0,0]=4 533 B13R2.12 Nc1ccc(-c2cccs2)nn1 Amb10599713 [0,1,0,0,0,1|2,0,0]=4 534 B13R2.12 Nc1ccc(-c2cnco2)cc1 Amb2724250 [0,1,0,0,0,1|2,0,0]=4 535 B13R2.12 Nc1ccc(-c2cnco2)cn1 Amb18830085 [0,1,0,0,0,1|1,0,1]=4 536 B13R2.12 Nc1ccc(-c2ncco2)cc1 Amb17400064 [0,1,0,0,0,1|2,0,0]=4 537 B13R2.12 Nc1ccc(-c2ncco2)cc1 Amb31195977 [0,1,0,0,0,1|2,0,0]=4 538 B13R2.12 Nc1ccc(-c2ncco2)nc1 Amb18830033 [0,1,0,0,0,1|1,0,1]=4 539 B13R2.12 Nc1ccc(-c2ncco2)nn1 Amb18829812 [0,1,0,0,0,1|1,0,1]=4 540 B13R2.12 Nc1ccc(-c2nnco2)cc1 Amb2371976 [0,1,0,0,0,1|1,0,0]=3 541 B13R2.12 Nc1ccc(-c2nncs2)cc1 Amb27759068 [0,1,0,0,0,1|1,1,0]=4 542 B13R2.12 Nc1cnc(-c2cccs2)nn1 Amb25085991 [0,1,0,0,0,1|2,0,0]=4 543 B13R2.12 O=C1C=CC(c2ccco2)=NN1 Amb18798083 [0,1,0,0,0,1|2,0,0]=4 544 B13R2.12 O=C1C=CC(c2nccs2)=CN1 Amb26481308 [0,1,0,0,0,1|1,1,0]=4 545 B13R2.12 O=C1C=CC(c2nccs2)=NN1 Amb25804512 [0,1,0,0,0,1|1,1,0]=4 546 B13R2.12 O=C1C=CC(c2nnco2)=CN1 Amb19285701 [0,1,0,0,0,1|0,0,0]=2 547 B13R2.12 Oc1ccc(-c2ccco2)nn1 Amb9174372 [0,1,0,0,0,1|2,0,0]=4 548 B13R2.12 Oc1ccc(-c2cccs2)nn1 Amb9174369 [0,1,0,0,0,1|2,0,0]=4 549 B13R2.12 Oc1ccc(-c2cnco2)cc1 Amb17935687 [0,1,0,0,0,1|2,0,0]=4 550 B13R2.12 Oc1ccc(-c2nnco2)cc1 Amb1152238 [0,1,0,0,0,1|1,0,0]=3 551 B13R2.12 Oc1ccc(-c2nncs2)cc1 Amb27948648 [0,1,0,0,0,1|1,1,0]=4 552 B13R2.12 S=C1C=CC(c2cncs2)=NN1 Amb35616708 [0,1,0,0,0,1|1,1,0]=4 553 B13R2.12 Sc1ccc(-c2ccco2)nn1 Amb22653351 [0,1,0,0,0,1|2,0,0]=4 554 B13R2.12 Sc1ccc(-c2cccs2)nn1 Amb17236059 [0,1,0,0,0,1|2,0,0]=4 555 B13R2.13 Brc1cc(-c2ccco2)ncn1 Amb10600032 [0,1,0,0,0,1|2,0,0]=4 556 B13R2.13 Brc1cc(-c2cccs2)ncn1 Amb10600034 [0,1,0,0,0,1|2,0,0]=4 557 B13R2.13 Brc1cccc(-c2cnco2)c1 Amb2441846 [0,1,0,0,0,1|2,0,0]=4 558 B13R2.13 Brc1cccc(-c2cnco2)n1 Amb27798710 [0,1,0,0,0,1|1,0,1]=4 559 B13R2.13 Brc1cccc(-c2ncco2)c1 Amb16230936 [0,1,0,0,0,1|2,0,0]=4 560 B13R2.13 Brc1cccc(-c2nnco2)c1 Amb1157199 [0,1,0,0,0,1|1,0,0]=3 561 B13R2.13 Brc1ccnc(-c2ncco2)c1 Amb27463157 [0,1,0,0,0,1|1,0,1]=4 562 B13R2.13 Brc1cncc(-c2cnco2)c1 Amb23399778 [0,1,0,0,0,1|1,0,1]=4 563 B13R2.13 Brc1cncc(-c2nnco2)c1 Amb2608770 [0,1,0,0,0,1|0,0,1]=3 564 B13R2.13 Brc1ncnc(-c2ccco2)n1 Amb24319411 [0,1,0,0,0,1|2,0,0]=4 565 B13R2.13 Brc1ncnc(-c2cccs2)n1 Amb24319403 [0,1,0,0,0,1|2,0,0]=4 566 B13R2.13 Cc1cccc(-c2cnco2)c1 Amb23402862 [0,1,0,0,0,1|2,0,0]=4 567 B13R2.13 Cc1cccc(-c2ncco2)c1 Amb17400050 [0,1,0,0,0,1|2,0,0]=4 568 B13R2.13 Cc1cccc(-c2nnco2)c1 Amb26935014 [0,1,0,0,0,1|1,0,0]=3 569 B13R2.13 Cc1cccc(-c2nncs2)c1 Amb27832598 [0,1,0,0,0,1|1,1,0]=4 570 B13R2.13 Cc1nccc(-c2cccs2)n1 Amb22494451 [0,1,0,0,0,1|2,0,0]=4 571 B13R2.13 Clc1cc(-c2ccco2)ncn1 Amb9174468 [0,1,0,0,0,1|2,0,0]=4 572 B13R2.13 Clc1cc(-c2cccs2)ncn1 Amb9174469 [0,1,0,0,0,1|2,0,0]=4 573 B13R2.13 Clc1cc(-c2ncco2)ccn1 Amb22497768 [0,1,0,0,0,1|2,0,0]=4 574 B13R2.13 Clc1cc(-c2nnco2)ccn1 Amb9201068 [0,1,0,0,0,1|1,0,0]=3 575 B13R2.13 Clc1cccc(-c2cnco2)c1 Amb2766148 [0,1,0,0,0,1|2,0,0]=4 576 B13R2.13 Clc1cccc(-c2ncco2)c1 Amb17400746 [0,1,0,0,0,1|2,0,0]=4 577 B13R2.13 Clc1cccc(-c2nnco2)c1 Amb5795063 [0,1,0,0,0,1|1,0,0]=3 578 B13R2.13 Clc1cccc(-c2nncs2)c1 Amb28348506 [0,1,0,0,0,1|1,1,0]=4 579 B13R2.13 Clc1nccc(-c2ccco2)n1 Amb6572444 [0,1,0,0,0,1|2,0,0]=4 580 B13R2.13 Clc1nccc(-c2cccs2)n1 Amb2725039 [0,1,0,0,0,1|2,0,0]=4 581 B13R2.13 Clc1ncnc(-c2ccco2)n1 Amb24319410 [0,1,0,0,0,1|2,0,0]=4 582 B13R2.13 Clc1nncc(-c2cccs2)n1 Amb18224951 [0,1,0,0,0,1|2,0,0]=4 583 B13R2.13 Fc1cccc(-c2cnco2)c1 Amb23437031 [0,1,0,0,0,1|2,0,0]=4 584 B13R2.13 Fc1cccc(-c2ncco2)c1 Amb17400123 [0,1,0,0,0,1|2,0,0]=4 585 B13R2.13 Fc1cccc(-c2nnco2)c1 Amb21967655 [0,1,0,0,0,1|1,0,0]=3 586 B13R2.13 Ic1cccc(-c2cnco2)c1 Amb24483916 [0,1,0,0,0,1|2,0,0]=4 587 B13R2.13 NC1=N\C(=C2\C=CN=N2)NC=C1 Amb28319219 [0,1,0,0,0,1|1,0,0]=3 588 B13R2.13 Nc1cc(-c2ccco2)ncn1 Amb10600033 [0,1,0,0,0,1|2,0,0]=4 589 B13R2.13 Nc1cc(-c2cccs2)ncn1 Amb10600035 [0,1,0,0,0,1|2,0,0]=4 590 B13R2.13 Nc1cccc(-c2cnco2)c1 Amb2725710 [0,1,0,0,0,1|2,0,0]=4 591 B13R2.13 Nc1cccc(-c2ncco2)c1 Amb17400063 [0,1,0,0,0,1|2,0,0]=4 592 B13R2.13 Nc1cccc(-c2ncco2)n1 Amb18830082 [0,1,0,0,0,1|1,0,1]=4 593 B13R2.13 Nc1cccc(-c2nnco2)c1 Amb2371977 [0,1,0,0,0,1|1,0,0]=3 594 B13R2.13 Nc1cccc(-c2nncs2)c1 Amb28396580 [0,1,0,0,0,1|1,1,0]=4 595 B13R2.13 Nc1cncc(-c2ncco2)c1 Amb18830030 [0,1,0,0,0,1|1,0,1]=4 596 B13R2.13 Nc1cnnc(-c2cccs2)n1 Amb27762878 [0,1,0,0,0,1|2,0,0]=4 597 B13R2.13 Nc1nccc(-c2ccco2)n1 Amb1946469 [0,1,0,0,0,1|2,0,0]=4 598 B13R2.13 Nc1nccc(-c2cccs2)n1 Amb2438695 [0,1,0,0,0,1|2,0,0]=4 599 B13R2.13 Nc1ncnc(-c2ccco2)n1 Amb24319412 [0,1,0,0,0,1|2,0,0]=4 600 B13R2.13 O=C1C=C(c2ncco2)C=CN1 Amb26584661 [0,1,0,0,0,1|2,0,0]=4 601 B13R2.13 O=C1C=CC=C(c2cncs2)N1 Amb35616696 [0,1,0,0,0,1|1,1,0]=4 602 B13R2.13 O=C1C=CN=C(c2ccco2)N1 Amb18788106 [0,1,0,0,0,1|2,0,0]=4 603 B13R2.13 O=C1C=CN=C(c2ccns2)N1 Amb35580064 [0,1,0,0,0,1|2,0,0]=4 604 B13R2.13 O=C1C=CN=C(c2cncs2)N1 Amb27174824 [0,1,0,0,0,1|1,1,0]=4 605 B13R2.13 O=C1C=NC=C(c2cncs2)N1 Amb35616699 [0,1,0,0,0,1|1,1,0]=4 606 B13R2.13 Oc1cc(-c2ccco2)ncn1 Amb9174454 [0,1,0,0,0,1|2,0,0]=4 607 B13R2.13 Oc1cc(-c2cccs2)ncn1 Amb9174455 [0,1,0,0,0,1|2,0,0]=4 608 B13R2.13 Oc1cc(-c2ncco2)ncn1 Amb28287545 [0,1,0,0,0,1|1,0,1]=4 609 B13R2.13 Oc1cccc(-c2cnco2)c1 Amb23437046 [0,1,0,0,0,1|2,0,0]=4 610 B13R2.13 Oc1cccc(-c2nnco2)c1 Amb1157196 [0,1,0,0,0,1|1,0,0]=3 611 B13R2.13 Oc1nccc(-c2cccs2)n1 Amb22494443 [0,1,0,0,0,1|2,0,0]=4 612 B13R2.13 S=C1C=CC=C(c2ccns2)N1 Amb27246898 [0,1,0,0,0,1|2,0,0]=4 613 B13R2.13 S=C1C=CC=C(c2cncs2)N1 Amb35616704 [0,1,0,0,0,1|1,1,0]=4 614 B13R2.13 S=C1C=CNC(c2ccns2)=C1 Amb27787337 [0,1,0,0,0,1|2,0,0]=4 615 B13R2.13 S=C1C=CNC(c2cncs2)=C1 Amb35616703 [0,1,0,0,0,1|1,1,0]=4 616 B13R2.13 S=C1C=NC=C(c2ccns2)N1 Amb27783554 [0,1,0,0,0,1|2,0,0]=4 617 B13R2.13 S=C1C=NC=C(c2cncs2)N1 Amb35616694 [0,1,0,0,0,1|1,1,0]=4 618 B13R2.13 Sc1nccc(-c2ccco2)n1 Amb1938587 [0,1,0,0,0,1|2,0,0]=4 619 B13R2.13 Sc1nccc(-c2cccs2)n1 Amb1938597 [0,1,0,0,0,1|2,0,0]=4 620 B13R2.13 Sc1nncc(-c2cccs2)n1 Amb20635903 [0,1,0,0,0,1|2,0,0]=4 621 B13R2.15 Brc1ncoc1-c2ccccc2 Amb22436805 [0,1,0,0,0,1|2,0,0]=4 622 B13R2.15 Cc1ncoc1-c2ccccc2 Amb17400053 [0,1,0,0,0,1|2,0,0]=4 623 B13R2.15 Cc1ncoc1-c2ccccn2 Amb17400065 [0,1,0,0,0,1|1,0,1]=4 624 B13R2.15 Cc1ncoc1-c2cccnc2 Amb17400066 [0,1,0,0,0,1|1,0,1]=4 625 B13R2.15 Cc1ncoc1-c2ccncc2 Amb17400067 [0,1,0,0,0,1|2,0,0]=4 626 B13R2.15 Clc1ncoc1-c2ccccc2 Amb22500850 [0,1,0,0,0,1|2,0,0]=4 627 B13R2.15 Cn1cccc1-c2ccccn2 Amb9808886 [0,1,0,0,0,1|2,0,0]=4 628 B13R2.15 Cn1cccc1-c2cccnc2 Amb2698661 [0,1,0,0,0,1|2,0,0]=4 629 B13R2.15 Cn1cnnc1-c2ccccc2 Amb20668220 [0,1,0,0,0,1|2,0,0]=4 630 B13R2.15 Cn1cnnc1-c2ccncc2 Amb8503166 [0,1,0,0,0,1|2,0,0]=4 631 B13R2.15 Ic1ncoc1-c2ccccc2 Amb22500851 [0,1,0,0,0,1|2,0,0]=4 632 B13R2.15 Nc1ncoc1-c2ccccc2 Amb26548318 [0,1,0,0,0,1|2,0,0]=4 633 B13R2.15 Nn1cnnc1-c2ccccc2 Amb443918 [0,1,0,0,0,1|2,0,0]=4 634 B13R2.18 Brc1ccccc1-c2cnco2 Amb2441872 [0,1,0,0,0,1|2,0,0]=4 635 B13R2.18 Brc1ccccc1-c2ncco2 Amb10602485 [0,1,0,0,0,1|2,0,0]=4 636 B13R2.18 Brc1ccccc1-c2nnco2 Amb844132 [0,1,0,0,0,1|1,0,0]=3 637 B13R2.18 Brc1cnccc1-c2ncco2 Amb28401563 [0,1,0,0,0,1|2,0,0]=4 638 B13R2.18 Cc1ccccc1-c2cnco2 Amb23437044 [0,1,0,0,0,1|2,0,0]=4 639 B13R2.18 Cc1ccccc1-c2ncco2 Amb17400049 [0,1,0,0,0,1|2,0,0]=4 640 B13R2.18 Cc1ccccc1-c2nnco2 Amb26338444 [0,1,0,0,0,1|1,0,0]=3 641 B13R2.18 Clc1ccccc1-c2cnco2 Amb4477363 [0,1,0,0,0,1|2,0,0]=4 642 B13R2.18 Clc1ccccc1-c2ncco2 Amb3429147 [0,1,0,0,0,1|2,0,0]=4 643 B13R2.18 Clc1ccccc1-c2nnco2 Amb2208685 [0,1,0,0,0,1|1,0,0]=3 644 B13R2.18 Clc1ncccc1-c2ncco2 Amb28291443 [0,1,0,0,0,1|1,0,1]=4 645 B13R2.18 Fc1ccccc1-c2cnco2 Amb23437030 [0,1,0,0,0,1|2,0,0]=4 646 B13R2.18 Fc1ccccc1-c2ncco2 Amb17400122 [0,1,0,0,0,1|2,0,0]=4 647 B13R2.18 Fc1ccccc1-c2nnco2 Amb26454398 [0,1,0,0,0,1|1,0,0]=3 648 B13R2.18 Ic1ccccc1-c2cnco2 Amb27616670 [0,1,0,0,0,1|2,0,0]=4 649 B13R2.18 Ic1ccccc1-c2ncco2 Amb27605931 [0,1,0,0,0,1|2,0,0]=4 650 B13R2.18 Ic1ccccc1-c2nncs2 Amb27950953 [0,1,0,0,0,1|1,1,0]=4 651 B13R2.18 NC1=CC=CN\C1=C2\N=CN=N2 Amb27389395 [0,1,0,0,0,1|1,0,0]=3 652 B13R2.18 Nc1ccccc1-c2cnco2 Amb2723593 [0,1,0,0,0,1|2,0,0]=4 653 B13R2.18 Nc1ccccc1-c2ncco2 Amb17400062 [0,1,0,0,0,1|2,0,0]=4 654 B13R2.18 Nc1ccccc1-c2nnco2 Amb1111079 [0,1,0,0,0,1|1,0,0]=3 655 B13R2.18 Nc1ccccc1-c2nncs2 Amb27865571 [0,1,0,0,0,1|1,1,0]=4 656 B13R2.18 Nc1cccnc1-c2cnco2 Amb18830039 [0,1,0,0,0,1|1,0,1]=4 657 B13R2.18 Nc1cccnc1-c2ncco2 Amb18830036 [0,1,0,0,0,1|1,0,1]=4 658 B13R2.18 Nc1ccncc1-c2cnco2 Amb27591671 [0,1,0,0,0,1|1,0,1]=4 659 B13R2.18 Nc1cnccc1-c2cnco2 Amb18830062 [0,1,0,0,0,1|2,0,0]=4 660 B13R2.18 Nc1cnccc1-c2nnco2 Amb27770014 [0,1,0,0,0,1|1,0,0]=3 661 B13R2.18 Nc1ncccc1-c2nnco2 Amb27860379 [0,1,0,0,0,1|0,0,1]=3 662 B13R2.18 Nc1nnccc1-c2ccco2 Amb32416419 [0,1,0,0,0,1|2,0,0]=4 663 B13R2.18 O=C1NC=CC=C1c2nccs2 Amb35581397 [0,1,0,0,0,1|1,1,0]=4 664 B13R2.18 Oc1ccccc1-c2cnco2 Amb23437033 [0,1,0,0,0,1|2,0,0]=4 665 B13R2.18 Oc1ccccc1-c2ncco2 Amb18645445 [0,1,0,0,0,1|2,0,0]=4 666 B13R2.18 Oc1ccccc1-c2nnco2 Amb6355792 [0,1,0,0,0,1|1,0,0]=3 667 B13R2.18 Oc1ccccc1-c2nncs2 Amb27762546 [0,1,0,0,0,1|1,1,0]=4 668 B13R2.18 Oc1cccnc1-c2ncco2 Amb27210020 [0,1,0,0,0,1|1,0,1]=4 669 B13R2.29 Cn1cccc1\C=C2\C=CC=N2 Amb24518404 [0,1,0,0,0,1|2,0,0]=4 670 B13R2.142 Brc1nnc(Cc2cccs2)s1 Amb7173220 [0,1,0,0,0,1|1,1,0]=4 671 B13R2.142 Cc1nc(Cc2nnco2)cs1 Amb26487753 [0,1,0,0,0,1|1,0,1]=4 672 B13R2.142 Cc1nnc(Cn2cccc2)o1 Amb27389549 [0,1,0,0,0,1|2,0,0]=4 673 B13R2.142 Clc1nnc(Cc2cccs2)o1 Amb27595997 [0,1,0,0,0,1|1,0,0]=3 674 B13R2.142 Nc1nnc(Cc2cccs2)o1 Amb1108548 [0,1,0,0,0,1|1,0,0]=3 675 B13R2.142 Nc1nnc(Cc2cccs2)s1 Amb2234823 [0,1,0,0,0,1|1,1,0]=4 676 B13R2.142 Nc1nnc(Cc2ccsc2)o1 Amb6744641 [0,1,0,0,0,1|2,0,0]=4 677 B13R2.142 O=C1NN=C(Cc2cccs2)O1 Amb24487338 [0,1,0,0,0,1|1,0,1]=4 678 B13R2.142 S=C1NN=C(Cc2cccs2)O1 Amb19276712 [0,1,0,0,0,1|1,0,1]=4 679 B13R2.142 Sc1nnc(Cc2ccco2)s1 Amb27144408 [0,1,0,0,0,1|1,1,0]=4 680 B13R2.142 Sc1nnc(Cc2cccs2)s1 Amb27970263 [0,1,0,0,0,1|1,1,0]=4 681 B13R2.142 Sc1nnc(Cc2ccsc2)o1 Amb2725969 [0,1,0,0,0,1|2,0,0]=4 682 B13R2.4 BrCc1coc(-c2cccs2)n1 Amb23450335 [0,2,0,0,0,0|2,0,0]=4 683 B13R2.4 C#Cc1nnc(-c2ccco2)s1 Amb27593825 [0,2,0,0,0,0|1,1,0]=4 684 B13R2.4 CCc1ccc(-c2cnco2)o1 Amb35652457 [0,2,0,0,0,0|2,0,0]=4 685 B13R2.4 CCc1ccc(-c2cnco2)s1 Amb35647903 [0,2,0,0,0,0|2,0,0]=4 686 B13R2.4 CCc1nnc(-c2ccco2)o1 Amb27598253 [0,2,0,0,0,0|1,0,0]=3 687 B13R2.4 CCc1nnc(-c2cccs2)o1 Amb20406758 [0,2,0,0,0,0|1,0,0]=3 688 B13R2.4 CCc1nnc(-c2ccon2)o1 Amb27487186 [0,2,0,0,0,0|1,0,1]=4 689 B13R2.4 CCc1nnc(-c2ccsc2)o1 Amb20406823 [0,2,0,0,0,0|2,0,0]=4 690 B13R2.4 CCc1nnc(-c2cnco2)o1 Amb28293681 [0,2,0,0,0,0|2,0,0]=4 691 B13R2.4 CCc1nnc(-c2cscn2)o1 Amb27761190 [0,2,0,0,0,0|1,0,1]=4 692 B13R2.4 CNc1nnc(-c2cccs2)s1 Amb17319661 [0,2,0,0,0,0|1,1,0]=4 693 B13R2.4 COc1csc(-c2cnco2)c1 Amb35652611 [0,2,0,0,0,0|2,0,0]=4 694 B13R2.4 ClCc1cnc(-c2cccs2)o1 Amb27653539 [0,2,0,0,0,0|2,0,0]=4 695 B13R2.4 ClCc1coc(-c2cccs2)n1 Amb439837 [0,2,0,0,0,0|2,0,0]=4 696 B13R2.4 ClCc1ncc(-c2cccs2)o1 Amb17194803 [0,2,0,0,0,0|2,0,0]=4 697 B13R2.4 ClCc1nnc(-c2ccco2)o1 Amb471780 [0,2,0,0,0,0|1,0,0]=3 698 B13R2.4 ClCc1nnc(-c2cccs2)o1 Amb1152290 [0,2,0,0,0,0|1,0,0]=3 699 B13R2.4 ClCc1nnc(-c2ccns2)o1 Amb33230764 [0,2,0,0,0,0|2,0,0]=4 700 B13R2.4 N#Cc1cnc(-c2ccco2)o1 Amb27248625 [0,2,0,0,0,0|2,0,0]=4 701 B13R2.4 N#Cc1coc(-c2cccs2)n1 Amb17085003 [0,2,0,0,0,0|2,0,0]=4 702 B13R2.4 N#Cc1ncc(-c2cccs2)o1 Amb28486650 [0,2,0,0,0,0|2,0,0]=4 703 B13R2.4 NCc1cnc(-c2ccco2)o1 Amb17232461 [0,2,0,0,0,0|2,0,0]=4 704 B13R2.4 NCc1cnc(-c2cccs2)o1 Amb17233687 [0,2,0,0,0,0|2,0,0]=4 705 B13R2.4 NCc1coc(-c2ccco2)n1 Amb17084968 [0,2,0,0,0,0|2,0,0]=4 706 B13R2.4 NCc1coc(-c2cccs2)n1 Amb2371608 [0,2,0,0,0,0|2,0,0]=4 707 B13R2.4 NCc1coc(-c2cccs2)n1 Amb267382 [0,2,0,0,0,0|2,0,0]=4 708 B13R2.4 NCc1ncc(-c2ccco2)o1 Amb18116160 [0,2,0,0,0,0|2,0,0]=4 709 B13R2.4 NCc1ncc(-c2cccs2)o1 Amb31202569 [0,2,0,0,0,0|2,0,0]=4 710 B13R2.4 NCc1ncc(-c2cccs2)o1 Amb5732989 [0,2,0,0,0,0|2,0,0]=4 711 B13R2.4 NCc1nnc(-c2ccco2)o1 Amb5732474 [0,2,0,0,0,0|1,0,0]=3 712 B13R2.4 NCc1nnc(-c2ccco2)s1 Amb17400872 [0,2,0,0,0,0|1,1,0]=4 713 B13R2.4 NCc1nnc(-c2cccs2)o1 Amb5732475 [0,2,0,0,0,0|1,0,0]=3 714 B13R2.4 NCc1nnc(-c2cccs2)s1 Amb17402215 [0,2,0,0,0,0|1,1,0]=4 715 B13R2.4 NCc1nnc(-c2ccns2)o1 Amb33230761 [0,2,0,0,0,0|2,0,0]=4 716 B13R2.4 NCc1nnc(-c2cscn2)o1 Amb18967065 [0,2,0,0,0,0|1,0,1]=4 717 B13R2.4 NNc1nnc(-c2ccco2)o1 Amb17064367 [0,2,0,0,0,0|1,0,0]=3 718 B13R2.4 NNc1nnc(-c2cccs2)o1 Amb17064368 [0,2,0,0,0,0|1,0,0]=3 719 B13R2.4 NNc1nnc(-c2cccs2)s1 Amb17130995 [0,2,0,0,0,0|1,1,0]=4 720 B13R2.4 O=Cc1ccc(-c2ncco2)o1 Amb18645759 [0,2,0,0,0,0|2,0,0]=4 721 B13R2.4 O=Cc1cnc(-c2ccco2)o1 Amb18645758 [0,2,0,0,0,0|2,0,0]=4 722 B13R2.4 O=Cc1cnc(-c2cccs2)o1 Amb18065822 [0,2,0,0,0,0|2,0,0]=4 723 B13R2.4 O=Cc1coc(-c2ccco2)n1 Amb17084977 [0,2,0,0,0,0|2,0,0]=4 724 B13R2.4 O=Cc1coc(-c2cccs2)n1 Amb17084978 [0,2,0,0,0,0|2,0,0]=4 725 B13R2.4 O=Cc1ncc(-c2ccco2)o1 Amb23440825 [0,2,0,0,0,0|2,0,0]=4 726 B13R2.4 O=Cc1ncc(-c2cccs2)o1 Amb27668797 [0,2,0,0,0,0|2,0,0]=4 727 B13R2.4 OCc1cnc(-c2ccco2)o1 Amb19334413 [0,2,0,0,0,0|2,0,0]=4 728 B13R2.4 OCc1cnc(-c2cccs2)o1 Amb19374201 [0,2,0,0,0,0|2,0,0]=4 729 B13R2.4 OCc1ncc(-c2ccco2)o1 Amb26845005 [0,2,0,0,0,0|2,0,0]=4 730 B13R2.4 OCc1ncc(-c2cccs2)o1 Amb27847505 [0,2,0,0,0,0|2,0,0]=4 731 B13R2.4 OCc1nnc(-c2ccns2)o1 Amb33230762 [0,2,0,0,0,0|2,0,0]=4 732 B13R2.4 SCc1nnc(-c2ccco2)o1 Amb17470650 [0,2,0,0,0,0|1,0,0]=3 733 B13R2.4 SCc1nnc(-c2cccs2)o1 Amb17470976 [0,2,0,0,0,0|1,0,0]=3 734 B13R2.11 Brc1cc(-c2nnc(I)o2)co1 Amb27843103 [0,2,0,0,0,0|2,0,0]=4 735 B13R2.11 Brc1ccc(-c2nnc(Br)o2)o1 Amb27836982 [0,2,0,0,0,0|1,0,0]=3 736 B13R2.11 Brc1ccc(-c2nnc(I)o2)o1 Amb27473149 [0,2,0,0,0,0|1,0,0]=3 737 B13R2.11 Cc1cc(-c2nnc(Cl)o2)no1 Amb27479778 [0,2,0,0,0,0|1,0,1]=4 738 B13R2.11 Cc1cc(-c2nnc(Cl)o2)on1 Amb27757873 [0,2,0,0,0,0|2,0,0]=4 739 B13R2.11 Cc1cc(-c2nnc(I)o2)co1 Amb28430333 [0,2,0,0,0,0|2,0,0]=4 740 B13R2.11 Cc1cc(-c2nnc(I)o2)no1 Amb27835366 [0,2,0,0,0,0|1,0,1]=4 741 B13R2.11 Cc1cc(-c2nnc(I)o2)on1 Amb27757874 [0,2,0,0,0,0|2,0,0]=4 742 B13R2.11 Cc1cc(-c2nnc(N)o2)cs1 Amb10608620 [0,2,0,0,0,0|2,0,0]=4 743 B13R2.11 Cc1cc(-c2nnc(N)o2)no1 Amb6474777 [0,2,0,0,0,0|1,0,1]=4 744 B13R2.11 Cc1cc(-c2nnc(N)o2)on1 Amb18946253 [0,2,0,0,0,0|2,0,0]=4 745 B13R2.11 Cc1cc(-c2nnc(S)o2)no1 Amb27223242 [0,2,0,0,0,0|1,0,1]=4 746 B13R2.11 Cc1cc(-c2nnc(S)o2)on1 Amb19074281 [0,2,0,0,0,0|2,0,0]=4 747 B13R2.11 Cc1ccc(-c2cnc(N)o2)o1 Amb33317514 [0,2,0,0,0,0|2,0,0]=4 748 B13R2.11 Cc1ccc(-c2cnc(N)o2)s1 Amb33375130 [0,2,0,0,0,0|2,0,0]=4 749 B13R2.11 Cc1ccc(-c2nnc(Br)o2)o1 Amb27197756 [0,2,0,0,0,0|1,0,0]=3 750 B13R2.11 Cc1ccc(-c2nnc(Br)s2)s1 Amb30010500 [0,2,0,0,0,0|1,1,0]=4 751 B13R2.11 Cc1ccc(-c2nnc(I)o2)s1 Amb28397827 [0,2,0,0,0,0|1,0,0]=3 752 B13R2.11 Cc1ccc(-c2nnc(I)s2)s1 Amb27805865 [0,2,0,0,0,0|1,1,0]=4 753 B13R2.11 Cc1ccc(-c2nnc(N)o2)o1 Amb6744635 [0,2,0,0,0,0|1,0,0]=3 754 B13R2.11 Cc1ccc(-c2nnc(N)o2)s1 Amb6254436 [0,2,0,0,0,0|1,0,0]=3 755 B13R2.11 Cc1ccc(-c2nnc(N)s2)s1 Amb836414 [0,2,0,0,0,0|1,1,0]=4 756 B13R2.11 Cc1ccc(-c2nnc(S)o2)o1 Amb9211838 [0,2,0,0,0,0|1,0,0]=3 757 B13R2.11 Cc1ccc(-c2nnc(S)s2)s1 Amb28048188 [0,2,0,0,0,0|1,1,0]=4 758 B13R2.11 Cc1ccc(C2=NNC(=O)O2)o1 Amb24487337 [0,2,0,0,0,0|1,0,1]=4 759 B13R2.11 Cc1csc(-c2cnc(N)o2)c1 Amb33373115 [0,2,0,0,0,0|2,0,0]=4 760 B13R2.11 Cc1csc(-c2nnc(Br)o2)c1 Amb27251093 [0,2,0,0,0,0|1,0,0]=3 761 B13R2.11 Cc1csc(-c2nnc(N)o2)c1 Amb13783653 [0,2,0,0,0,0|1,0,0]=3 762 B13R2.11 Cc1csc(-c2nnc(S)o2)c1 Amb26429496 [0,2,0,0,0,0|1,0,0]=3 763 B13R2.11 Cc1nc(-c2nnc(Br)o2)cs1 Amb28059392 [0,2,0,0,0,0|1,0,1]=4 764 B13R2.11 Cc1nc(-c2nnc(N)o2)cs1 Amb13783545 [0,2,0,0,0,0|1,0,1]=4 765 B13R2.11 Cc1nnc(-c2ccc(Br)o2)o1 Amb27599153 [0,2,0,0,0,0|1,0,0]=3 766 B13R2.11 Cc1nnc(-c2ccc(Cl)s2)s1 Amb24461573 [0,2,0,0,0,0|1,1,0]=4 767 B13R2.11 Cc1nnc(-c2cnc(Br)s2)o1 Amb27783227 [0,2,0,0,0,0|2,0,0]=4 768 B13R2.11 Clc1ccc(-c2nnc(Br)o2)s1 Amb27801759 [0,2,0,0,0,0|1,0,0]=3 769 B13R2.11 Clc1ccc(-c2nnc(Br)s2)o1 Amb27593156 [0,2,0,0,0,0|1,1,0]=4 770 B13R2.11 Clc1ccc(-c2nnc(Cl)o2)o1 Amb28244295 [0,2,0,0,0,0|1,0,0]=3 771 B13R2.11 Clc1ccc(-c2nnc(I)s2)o1 Amb27175490 [0,2,0,0,0,0|1,1,0]=4 772 B13R2.11 Clc1nnc(-c2ccc(Br)o2)s1 Amb27485016 [0,2,0,0,0,0|1,1,0]=4 773 B13R2.11 Clc1nnc(-c2ccc(Br)s2)s1 Amb27809596 [0,2,0,0,0,0|1,1,0]=4 774 B13R2.11 Clc1nnc(-c2csc(Br)c2)o1 Amb27766727 [0,2,0,0,0,0|2,0,0]=4 775 B13R2.11 Clc1nnc(-c2csc(Cl)c2)o1 Amb27945553 [0,2,0,0,0,0|2,0,0]=4 776 B13R2.11 Clc1nnc(-c2csc(I)c2)o1 Amb27969692 [0,2,0,0,0,0|2,0,0]=4 777 B13R2.11 Cn1ccc(-c2nnc(I)o2)n1 Amb27166967 [0,2,0,0,0,0|1,0,1]=4 778 B13R2.11 Cn1ccc(-c2nnc(N)o2)c1 Amb18224404 [0,2,0,0,0,0|2,0,0]=4 779 B13R2.11 Cn1ccc(-c2nnc(N)o2)n1 Amb10879838 [0,2,0,0,0,0|1,0,1]=4 780 B13R2.11 Cn1ccc(-c2nnc(S)o2)n1 Amb27166372 [0,2,0,0,0,0|1,0,1]=4 781 B13R2.11 Cn1cnc(-c2nnc(I)o2)c1 Amb27615354 [0,2,0,0,0,0|1,0,1]=4 782 B13R2.11 Nc1ccc(-c2nnc(N)s2)o1 Amb28255508 [0,2,0,0,0,0|1,1,0]=4 783 B13R2.11 Nc1ncc(-c2cc(Br)co2)o1 Amb33432317 [0,2,0,0,0,0|2,0,0]=4 784 B13R2.11 Nc1ncc(-c2cc(Br)cs2)o1 Amb18072256 [0,2,0,0,0,0|2,0,0]=4 785 B13R2.11 Nc1ncc(-c2cc(Cl)cs2)o1 Amb33485387 [0,2,0,0,0,0|2,0,0]=4 786 B13R2.11 Nc1ncc(-c2ccc(Br)o2)o1 Amb33452235 [0,2,0,0,0,0|2,0,0]=4 787 B13R2.11 Nc1ncc(-c2ccc(Br)s2)o1 Amb17257479 [0,2,0,0,0,0|2,0,0]=4 788 B13R2.11 Nc1ncc(-c2ccc(Cl)o2)o1 Amb33259057 [0,2,0,0,0,0|2,0,0]=4 789 B13R2.11 Nc1ncc(-c2ccc(Cl)s2)o1 Amb17237182 [0,2,0,0,0,0|2,0,0]=4 790 B13R2.11 Nc1nnc(-c2cc(Br)cs2)o1 Amb13783568 [0,2,0,0,0,0|1,0,0]=3 791 B13R2.11 Nc1nnc(-c2cc(Br)cs2)s1 Amb26049421 [0,2,0,0,0,0|1,1,0]=4 792 B13R2.11 Nc1nnc(-c2ccc(Br)o2)o1 Amb6247023 [0,2,0,0,0,0|1,0,0]=3 793 B13R2.11 Nc1nnc(-c2ccc(Br)o2)s1 Amb1091725 [0,2,0,0,0,0|1,1,0]=4 794 B13R2.11 Nc1nnc(-c2ccc(Br)s2)o1 Amb6252597 [0,2,0,0,0,0|1,0,0]=3 795 B13R2.11 Nc1nnc(-c2ccc(Br)s2)s1 Amb6682827 [0,2,0,0,0,0|1,1,0]=4 796 B13R2.11 Nc1nnc(-c2ccc(Cl)o2)o1 Amb27777153 [0,2,0,0,0,0|1,0,0]=3 797 B13R2.11 Nc1nnc(-c2ccc(Cl)s2)o1 Amb9175403 [0,2,0,0,0,0|1,0,0]=3 798 B13R2.11 Nc1nnc(-c2ccc(Cl)s2)s1 Amb8631131 [0,2,0,0,0,0|1,1,0]=4 799 B13R2.11 Nc1nnc(-c2csc(Br)c2)o1 Amb27598771 [0,2,0,0,0,0|2,0,0]=4 800 B13R2.11 O=C1NN=C(c2ccc(Br)o2)O1 Amb19930109 [0,2,0,0,0,0|1,0,1]=4 801 B13R2.11 O=C1NN=C(c2ccc(Br)s2)O1 Amb25301122 [0,2,0,0,0,0|1,0,1]=4 802 B13R2.11 O=C1NN=C(c2ccc(Cl)o2)O1 Amb27171948 [0,2,0,0,0,0|1,0,1]=4 803 B13R2.11 O=C1NN=C(c2ccc(Cl)s2)O1 Amb28048667 [0,2,0,0,0,0|1,0,1]=4 804 B13R2.11 S=C1NN=C(c2ccc(Cl)s2)O1 Amb19374945 [0,2,0,0,0,0|1,0,1]=4 805 B13R2.11 Sc1nnc(-c2cc(Br)cs2)o1 Amb28044918 [0,2,0,0,0,0|1,0,0]=3 806 B13R2.11 Sc1nnc(-c2ccc(Br)o2)o1 Amb9211876 [0,2,0,0,0,0|1,0,0]=3 807 B13R2.11 Sc1nnc(-c2ccc(Br)s2)o1 Amb9211847 [0,2,0,0,0,0|1,0,0]=3 808 B13R2.11 Sc1nnc(-c2ccc(Cl)s2)o1 Amb7173031 [0,2,0,0,0,0|1,0,0]=3 809 B13R2.11 Sc1nnc(-c2ccc(Cl)s2)s1 Amb28369986 [0,2,0,0,0,0|1,1,0]=4 810 B13R2.11 Sc1nnc(-c2csc(Br)c2)o1 Amb27607323 [0,2,0,0,0,0|2,0,0]=4 811 B13R2.144 Brc1ccoc1-c2nnc(I)o2 Amb35674824 [0,2,0,0,0,0|1,0,0]=3 812 B13R2.144 Brc1ccoc1-c2nnc(I)s2 Amb35674819 [0,2,0,0,0,0|1,1,0]=4 813 B13R2.144 Brc1cscc1-c2nnc(I)o2 Amb35697807 [0,2,0,0,0,0|2,0,0]=4 814 B13R2.144 Brc1csnc1-c2nnc(I)o2 Amb35697804 [0,2,0,0,0,0|1,0,1]=4 815 B13R2.144 Brc1nnc(-c2ccoc2Br)o1 Amb28244260 [0,2,0,0,0,0|2,0,0]=4 816 B13R2.144 Brc1nnc(-c2ccsc2Br)o1 Amb29890958 [0,2,0,0,0,0|2,0,0]=4 817 B13R2.144 Brc1nnc(-c2cscc2Br)o1 Amb35697806 [0,2,0,0,0,0|2,0,0]=4 818 B13R2.144 Brc1nnc(-c2ncsc2Br)o1 Amb29890962 [0,2,0,0,0,0|1,0,1]=4 819 B13R2.144 Brc1nnc(-c2nscc2Br)o1 Amb35697803 [0,2,0,0,0,0|1,0,1]=4 820 B13R2.144 Brc1nnc(-c2occc2Br)o1 Amb35674823 [0,2,0,0,0,0|1,0,0]=3 821 B13R2.144 Brc1nnc(-c2occc2Br)s1 Amb35678456 [0,2,0,0,0,0|1,1,0]=4 822 B13R2.144 Brc1nnc(-c2sccc2Br)s1 Amb29849843 [0,2,0,0,0,0|1,1,0]=4 823 B13R2.144 Brc1sccc1-c2nnc(I)o2 Amb29890959 [0,2,0,0,0,0|2,0,0]=4 824 B13R2.144 Brc1scnc1-c2nnc(I)o2 Amb29890963 [0,2,0,0,0,0|1,0,1]=4 825 B13R2.144 Cc1ccoc1-c2cnc(N)o2 Amb33342767 [0,2,0,0,0,0|2,0,0]=4 826 B13R2.144 Cc1ccoc1-c2nnc(Br)o2 Amb27598947 [0,2,0,0,0,0|1,0,0]=3 827 B13R2.144 Cc1ccoc1-c2nnc(N)s2 Amb33534371 [0,2,0,0,0,0|1,1,0]=4 828 B13R2.144 Cc1ccoc1-c2nnc(S)o2 Amb9211853 [0,2,0,0,0,0|1,0,0]=3 829 B13R2.144 Cc1ccsc1-c2cnc(N)o2 Amb33202576 [0,2,0,0,0,0|2,0,0]=4 830 B13R2.144 Cc1ccsc1-c2nnc(Br)s2 Amb30010501 [0,2,0,0,0,0|1,1,0]=4 831 B13R2.144 Cc1ccsc1-c2nnc(I)s2 Amb27801699 [0,2,0,0,0,0|1,1,0]=4 832 B13R2.144 Cc1ccsc1-c2nnc(N)o2 Amb6267079 [0,2,0,0,0,0|1,0,0]=3 833 B13R2.144 Cc1ccsc1-c2nnc(N)s2 Amb836268 [0,2,0,0,0,0|1,1,0]=4 834 B13R2.144 Cc1ccsc1-c2nnc(S)o2 Amb9211841 [0,2,0,0,0,0|1,0,0]=3 835 B13R2.144 Cc1ccsc1C2=NNC(=N)O2 Amb19267086 [0,2,0,0,0,0|1,0,1]=4 836 B13R2.144 Cc1ccsc1C2=NNC(=O)O2 Amb25187469 [0,2,0,0,0,0|1,0,1]=4 837 B13R2.144 Cc1ccsc1C2=NNC(=S)O2 Amb19408569 [0,2,0,0,0,0|1,0,1]=4 838 B13R2.144 Cc1cscc1-c2nnc(I)o2 Amb27814902 [0,2,0,0,0,0|2,0,0]=4 839 B13R2.144 Cc1ncoc1-c2nnc(Cl)o2 Amb27469345 [0,2,0,0,0,0|2,0,0]=4 840 B13R2.144 Cc1ncoc1-c2nnc(N)o2 Amb28137533 [0,2,0,0,0,0|2,0,0]=4 841 B13R2.144 Cc1ncoc1-c2nnc(S)o2 Amb27245071 [0,2,0,0,0,0|2,0,0]=4 842 B13R2.144 Cc1ncsc1-c2nnc(I)o2 Amb27883393 [0,2,0,0,0,0|2,0,0]=4 843 B13R2.144 Cc1nnc(-c2ncoc2C)o1 Amb28283399 [0,2,0,0,0,0|1,0,1]=4 844 B13R2.144 Cc1nnc(-c2sccc2C)o1 Amb20406779 [0,2,0,0,0,0|1,0,0]=3 845 B13R2.144 Cc1occc1-c2nnc(Br)o2 Amb27656756 [0,2,0,0,0,0|2,0,0]=4 846 B13R2.144 Cc1occc1-c2nnc(N)o2 Amb1108626 [0,2,0,0,0,0|2,0,0]=4 847 B13R2.144 Cc1occc1-c2nnc(S)o2 Amb1105133 [0,2,0,0,0,0|2,0,0]=4 848 B13R2.144 Cc1sccc1-c2nnc(S)o2 Amb22330619 [0,2,0,0,0,0|2,0,0]=4 849 B13R2.144 Clc1ccsc1-c2nnc(Br)o2 Amb27833175 [0,2,0,0,0,0|1,0,0]=3 850 B13R2.144 Clc1ccsc1-c2nnc(Br)s2 Amb35686599 [0,2,0,0,0,0|1,1,0]=4 851 B13R2.144 Clc1ccsc1-c2nnc(I)s2 Amb27203789 [0,2,0,0,0,0|1,1,0]=4 852 B13R2.144 Clc1nnc(-c2ccoc2Cl)o1 Amb27170264 [0,2,0,0,0,0|2,0,0]=4 853 B13R2.144 Clc1nnc(-c2ccsc2Br)o1 Amb29890957 [0,2,0,0,0,0|2,0,0]=4 854 B13R2.144 Clc1nnc(-c2cscc2Br)o1 Amb35697805 [0,2,0,0,0,0|2,0,0]=4 855 B13R2.144 Clc1nnc(-c2ncsc2Br)o1 Amb29890961 [0,2,0,0,0,0|1,0,1]=4 856 B13R2.144 Clc1nnc(-c2nscc2Br)o1 Amb35697802 [0,2,0,0,0,0|1,0,1]=4 857 B13R2.144 Clc1nnc(-c2occc2Br)o1 Amb35674820 [0,2,0,0,0,0|1,0,0]=3 858 B13R2.144 Clc1nnc(-c2occc2Br)s1 Amb35674818 [0,2,0,0,0,0|1,1,0]=4 859 B13R2.144 Clc1nnc(-c2sccc2I)o1 Amb27860961 [0,2,0,0,0,0|1,0,0]=3 860 B13R2.144 Clc1occc1-c2nnc(I)o2 Amb28293401 [0,2,0,0,0,0|2,0,0]=4 861 B13R2.144 Cn1cccc1-c2cc(N)no2 Amb33374271 [0,2,0,0,0,0|2,0,0]=4 862 B13R2.144 Cn1cccc1-c2cc(N)on2 Amb25855056 [0,2,0,0,0,0|2,0,0]=4 863 B13R2.144 Cn1cccc1-c2cnc(N)o2 Amb33374260 [0,2,0,0,0,0|1,0,0]=3 864 B13R2.144 Cn1cccc1-c2nnc(N)s2 Amb28348765 [0,2,0,0,0,0|0,1,0]=3 865 B13R2.144 Cn1cccc1-c2nnc(O)o2 Amb25048108 [0,2,0,0,0,0|0,0,0]=2 866 B13R2.144 Cn1cccc1-c2nnc(S)o2 Amb2410656 [0,2,0,0,0,0|0,0,0]=2 867 B13R2.144 Cn1ccnc1-c2cnc(N)o2 Amb33225304 [0,2,0,0,0,0|2,0,0]=4 868 B13R2.144 Cn1ccnc1-c2nnc(N)o2 Amb20669558 [0,2,0,0,0,0|1,0,0]=3 869 B13R2.144 Cn1ccnc1-c2nnc(N)s2 Amb33548317 [0,2,0,0,0,0|1,1,0]=4 870 B13R2.144 Cn1cncc1-c2cnc(N)o2 Amb32882405 [0,2,0,0,0,0|2,0,0]=4 871 B13R2.144 Cn1cncc1-c2nnc(Br)s2 Amb27754596 [0,2,0,0,0,0|1,1,0]=4 872 B13R2.144 Cn1cncc1-c2nnc(I)o2 Amb27615532 [0,2,0,0,0,0|1,0,0]=3 873 B13R2.144 Cn1cncc1-c2nnc(I)s2 Amb27615529 [0,2,0,0,0,0|1,1,0]=4 874 B13R2.144 Cn1cncc1-c2nnc(N)o2 Amb26056768 [0,2,0,0,0,0|1,0,0]=3 875 B13R2.144 Cn1cncc1-c2nnc(N)s2 Amb27211762 [0,2,0,0,0,0|1,1,0]=4 876 B13R2.144 Cn1cncc1-c2nnc(S)s2 Amb35582647 [0,2,0,0,0,0|1,1,0]=4 877 B13R2.144 Cn1cnnc1-c2ccc(Br)s2 Amb28340853 [0,2,0,0,0,0|2,0,0]=4 878 B13R2.144 Cn1cnnc1-c2ccc(N)s2 Amb18280471 [0,2,0,0,0,0|2,0,0]=4 879 B13R2.144 Cn1nccc1-c2cnc(N)o2 Amb33322774 [0,2,0,0,0,0|2,0,0]=4 880 B13R2.144 Cn1nccc1-c2nnc(N)o2 Amb10879837 [0,2,0,0,0,0|1,0,0]=3 881 B13R2.144 Cn1nccc1-c2nnc(N)s2 Amb18280703 [0,2,0,0,0,0|1,1,0]=4 882 B13R2.144 Cn1nccc1-c2nnc(S)o2 Amb18791391 [0,2,0,0,0,0|1,0,0]=3 883 B13R2.144 Fc1ccsc1-c2nnc(Br)o2 Amb28410376 [0,2,0,0,0,0|1,0,0]=3 884 B13R2.144 Fc1ccsc1-c2nnc(Br)s2 Amb27601488 [0,2,0,0,0,0|1,1,0]=4 885 B13R2.144 Fc1ccsc1-c2nnc(Cl)o2 Amb27856870 [0,2,0,0,0,0|1,0,0]=3 886 B13R2.144 Fc1ccsc1-c2nnc(I)o2 Amb27811699 [0,2,0,0,0,0|1,0,0]=3 887 B13R2.144 Nc1ccsc1C2=NNC(=O)O2 Amb27788446 [0,2,0,0,0,0|1,0,1]=4 888 B13R2.144 Nc1ncc(-c2sccc2Br)o1 Amb33387990 [0,2,0,0,0,0|2,0,0]=4 889 B13R2.144 Nc1ncc(-c2sccc2Cl)o1 Amb33258275 [0,2,0,0,0,0|2,0,0]=4 890 B13R2.144 Nc1nnc(-c2ccsc2Br)o1 Amb30038310 [0,2,0,0,0,0|2,0,0]=4 891 B13R2.144 Nc1nnc(-c2cscc2Br)o1 Amb35697800 [0,2,0,0,0,0|2,0,0]=4 892 B13R2.144 Nc1nnc(-c2ncsc2Br)o1 Amb30038186 [0,2,0,0,0,0|1,0,1]=4 893 B13R2.144 Nc1nnc(-c2nscc2Br)o1 Amb35697799 [0,2,0,0,0,0|1,0,1]=4 894 B13R2.144 Nc1nnc(-c2occc2Br)o1 Amb30009947 [0,2,0,0,0,0|1,0,0]=3 895 B13R2.144 Nc1nnc(-c2occc2Br)s1 Amb35686395 [0,2,0,0,0,0|1,1,0]=4 896 B13R2.144 Nc1nnc(-c2sccc2Br)o1 Amb26373482 [0,2,0,0,0,0|1,0,0]=3 897 B13R2.144 Nc1nnc(-c2sccc2Br)s1 Amb30010561 [0,2,0,0,0,0|1,1,0]=4 898 B13R2.144 Nc1nnc(-c2sccc2Cl)o1 Amb25892828 [0,2,0,0,0,0|1,0,0]=3 899 B13R2.144 Nc1nnc(-c2sccc2Cl)s1 Amb35686600 [0,2,0,0,0,0|1,1,0]=4 900 B13R2.144 Nc1nnc(-c2sccc2F)s1 Amb28290091 [0,2,0,0,0,0|1,1,0]=4 901 B13R2.144 Nc1nnc(-c2sccc2I)o1 Amb27608172 [0,2,0,0,0,0|1,0,0]=3 902 B13R2.144 Nc1nnc(-c2sccc2N)o1 Amb28411681 [0,2,0,0,0,0|1,0,0]=3 903 B13R2.144 O=C1NN=C(c2occc2Br)O1 Amb35596034 [0,2,0,0,0,0|1,0,1]=4 904 B13R2.144 O=C1NN=C(c2sccc2Br)O1 Amb25738274 [0,2,0,0,0,0|1,0,1]=4 905 B13R2.144 O=C1NN=C(c2sccc2Cl)O1 Amb27460902 [0,2,0,0,0,0|1,0,1]=4 906 B13R2.144 Sc1nnc(-c2ccoc2Cl)o1 Amb27641060 [0,2,0,0,0,0|2,0,0]=4 907 B13R2.144 Sc1nnc(-c2ccsc2Br)o1 Amb29892732 [0,2,0,0,0,0|2,0,0]=4 908 B13R2.144 Sc1nnc(-c2cscc2Br)o1 Amb35682949 [0,2,0,0,0,0|2,0,0]=4 909 B13R2.144 Sc1nnc(-c2ncsc2Br)o1 Amb29892994 [0,2,0,0,0,0|1,0,1]=4 910 B13R2.144 Sc1nnc(-c2nscc2Br)o1 Amb35682948 [0,2,0,0,0,0|1,0,1]=4 911 B13R2.144 Sc1nnc(-c2occc2Br)o1 Amb35743163 [0,2,0,0,0,0|1,0,0]=3 912 B13R2.144 Sc1nnc(-c2sccc2Br)o1 Amb27787531 [0,2,0,0,0,0|1,0,0]=3 913 B13R2.144 Sc1nnc(-c2sccc2Cl)o1 Amb25739310 [0,2,0,0,0,0|1,0,0]=3 914 B13R2.144 Sc1nnc(-c2sccc2I)o1 Amb27455624 [0,2,0,0,0,0|1,0,0]=3 915 B13R2.149 Brc1cc(-c2cnco2)sc1Br Amb35652265 [0,2,0,0,0,0|2,0,0]=4 916 B13R2.149 CN1N=C(c2ccco2)OC1=O Amb27163761 [0,2,0,0,0,0|1,0,1]=4 917 B13R2.149 Cc1cc(-c2cnco2)sc1Br Amb26004996 [0,2,0,0,0,0|2,0,0]=4 918 B13R2.149 Cc1cc(-c2cnco2)sc1C Amb35652272 [0,2,0,0,0,0|2,0,0]=4 919 B13R2.149 Cn1cc(-c2nnco2)nc1Br Amb35736462 [0,2,0,0,0,0|1,0,1]=4 920 B13R2.2348 Cc1ccc(-c2ccco2)n1C Amb17232363 [0,2,0,0,0,0|2,0,0]=4 921 B13R2.2348 Cc1csc(-c2cnco2)c1Cl Amb35652505 [0,2,0,0,0,0|2,0,0]=4 922 B13R2.2348 Cn1c(-c2cnco2)cnc1Cl Amb35652608 [0,2,0,0,0,0|2,0,0]=4 923 B13R2.2348 Cn1c(Br)nnc1-c2cccs2 Amb27812173 [0,2,0,0,0,0|2,0,0]=4 924 B13R2.2348 Cn1c(N)nnc1-c2ccco2 Amb17064515 [0,2,0,0,0,0|2,0,0]=4 925 B13R2.2348 Cn1c(N)nnc1-c2cccs2 Amb17064516 [0,2,0,0,0,0|2,0,0]=4 926 B13R2.2348 Cn1c(S)nnc1-c2ccco2 Amb6334839 [0,2,0,0,0,0|2,0,0]=4 927 B13R2.2348 Cn1c(S)nnc1-c2cccs2 Amb6335626 [0,2,0,0,0,0|2,0,0]=4 928 B13R2.2348 Nc1nnc(-c2cccs2)n1N Amb25704047 [0,2,0,0,0,0|2,0,0]=4 929 B13R2.2348 Nn1c(S)nnc1-c2ccco2 Amb1105122 [0,2,0,0,0,0|2,0,0]=4 930 B13R2.2348 Nn1c(S)nnc1-c2cccs2 Amb1077650 [0,2,0,0,0,0|2,0,0]=4 931 B13R2.4666 Cc1cc(-c2cnco2)n(C)n1 Amb35647963 [0,2,0,0,0,0|2,0,0]=4 932 B13R2.4666 Cc1cc(-c2nnco2)c(C)o1 Amb24369792 [0,2,0,0,0,0|2,0,0]=4 933 B13R2.4666 Cc1nc(C)c(-c2ccco2)o1 Amb17400126 [0,2,0,0,0,0|2,0,0]=4 934 B13R2.4666 Cc1nc(C)c(-c2cccs2)o1 Amb17400731 [0,2,0,0,0,0|2,0,0]=4 935 B13R2.4666 Cc1nc(C)c(-c2nnco2)s1 Amb22009691 [0,2,0,0,0,0|2,0,0]=4 936 B13R2.4666 Cn1cc(Br)c(-c2nnco2)n1 Amb29861907 [0,2,0,0,0,0|1,0,1]=4 937 B13R2.4666 Cn1cc(Br)cc1-c2nnco2 Amb27163878 [0,2,0,0,0,0|0,0,0]=2 938 B13R2.61 CCc1ccsc1-c2cnco2 Amb35652466 [0,2,0,0,0,0|2,0,0]=4 939 B13R2.61 NCc1ncoc1-c2ccco2 Amb18251669 [0,2,0,0,0,0|2,0,0]=4 940 B13R2.61 O=Cc1ncoc1-c2cccs2 Amb18824748 [0,2,0,0,0,0|2,0,0]=4 941 B13R2.61 OCc1ncoc1-c2ccco2 Amb27594895 [0,2,0,0,0,0|2,0,0]=4 942 B13R2.181 Cc1ccsc1-c2nncn2C Amb28041168 [0,2,0,0,0,0|2,0,0]=4 943 B13R2.181 Cn1cccc1-c2oncc2N Amb33374262 [0,2,0,0,0,0|2,0,0]=4 944 B13R2.181 Cn1cnnc1-c2sccc2N Amb18280458 [0,2,0,0,0,0|2,0,0]=4 945 B13R2.3042 Cn1ncc(Br)c1-c2cnco2 Amb35652612 [0,2,0,0,0,0|2,0,0]=4 946 B13R2.3042 Cn1ncc(Br)c1-c2nnco2 Amb29861642 [0,2,0,0,0,0|1,0,0]=3 947 B13R2.3042 Cn1ncc(N)c1-c2cnco2 Amb33319531 [0,2,0,0,0,0|2,0,0]=4 948 B11R2.106 Brc1cccc2ncoc12 Amb17570811 [0,0,1,1,0,0|2,0,0]=4 949 B11R2.106 Brc1cccn2cnnc12 Amb19149043 [0,0,1,1,0,0|2,0,0]=4 950 B11R2.106 Brc1cncn2cccc12 Amb27405880 [0,0,1,1,0,0|2,0,0]=4 951 B11R2.106 Brc1ncnn2cccc12 Amb19515910 [0,0,1,1,0,0|2,0,0]=4 952 B11R2.106 Cc1cccc2ncoc12 Amb17569953 [0,0,1,1,0,0|2,0,0]=4 953 B11R2.106 Cc1cccn2cnnc12 Amb28239260 [0,0,1,1,0,0|2,0,0]=4 954 B11R2.106 Cc1nccn2cccc12 Amb22500272 [0,0,1,1,0,0|2,0,0]=4 955 B11R2.106 Clc1cccc2ncoc12 Amb17570018 [0,0,1,1,0,0|2,0,0]=4 956 B11R2.106 Clc1cccn2cnnc12 Amb10067450 [0,0,1,1,0,0|2,0,0]=4 957 B11R2.106 Clc1nccn2cccc12 Amb19958197 [0,0,1,1,0,0|2,0,0]=4 958 B11R2.106 Clc1ncnn2cccc12 Amb19516062 [0,0,1,1,0,0|2,0,0]=4 959 B11R2.106 Clc1nncc2ccoc12 Amb19514738 [0,0,1,1,0,0|2,0,0]=4 960 B11R2.106 Clc1nncc2ccsc12 Amb24086323 [0,0,1,1,0,0|2,0,0]=4 961 B11R2.106 Clc1nncn2cccc12 Amb26583779 [0,0,1,1,0,0|1,0,0]=3 962 B11R2.106 Clc1nncn2nccc12 Amb25255621 [0,0,1,1,0,0|2,0,0]=4 963 B11R2.106 Fc1cccc2ncoc12 Amb17569957 [0,0,1,1,0,0|2,0,0]=4 964 B11R2.106 Fc1cccn2cnnc12 Amb25844367 [0,0,1,1,0,0|2,0,0]=4 965 B11R2.106 Nc1cccc2ccoc12 Amb15772371 [0,0,1,1,0,0|2,0,0]=4 966 B11R2.106 Nc1cccc2ccoc12 Amb31291351 [0,0,1,1,0,0|2,0,0]=4 967 B11R2.106 Nc1cccc2cnnn12 Amb25871316 [0,0,1,1,0,0|2,0,0]=4 968 B11R2.106 Nc1cccc2cnoc12 Amb22233975 [0,0,1,1,0,0|2,0,0]=4 969 B11R2.106 Nc1cccc2cnsc12 Amb18201818 [0,0,1,1,0,0|2,0,0]=4 970 B11R2.106 Nc1cccc2conc12 Amb18203159 [0,0,1,1,0,0|2,0,0]=4 971 B11R2.106 Nc1cccc2csnc12 Amb22736384 [0,0,1,1,0,0|2,0,0]=4 972 B11R2.106 Nc1cccc2ncoc12 Amb17231888 [0,0,1,1,0,0|1,0,0]=3 973 B11R2.106 Nc1cccc2ncsc12 Amb10603964 [0,0,1,1,0,0|1,1,0]=4 974 B11R2.106 Nc1cccc2nnoc12 Amb18203123 [0,0,1,1,0,0|2,0,0]=4 975 B11R2.106 Nc1cccn2ccnc12 Amb16230433 [0,0,1,1,0,0|2,0,0]=4 976 B11R2.106 Nc1cccn2cncc12 Amb24081863 [0,0,1,1,0,0|2,0,0]=4 977 B11R2.106 Nc1cccn2cnnc12 Amb15701627 [0,0,1,1,0,0|1,0,0]=3 978 B11R2.106 Nc1cccn2nccc12 Amb25127629 [0,0,1,1,0,0|1,0,1]=4 979 B11R2.106 Nc1cccn2ncnc12 Amb2420746 [0,0,1,1,0,0|1,0,1]=4 980 B11R2.106 Nc1cccn2nnnc12 Amb10608395 [0,0,1,1,0,0|2,0,0]=4 981 B11R2.106 Nc1ccnn2cccc12 Amb23439913 [0,0,1,1,0,0|1,0,1]=4 982 B11R2.106 Nc1ccnn2cnnc12 Amb27597699 [0,0,1,1,0,0|2,0,0]=4 983 B11R2.106 Nc1nccn2cnnc12 Amb19957562 [0,0,1,1,0,0|2,0,0]=4 984 B11R2.106 Nc1ncnn2cccc12 Amb7172536 [0,0,1,1,0,0|1,0,1]=4 985 B11R2.106 O=C1N=NC=C2C=CNN12 Amb24482544 [0,0,1,1,0,0|1,0,1]=4 986 B11R2.106 O=C1NC=Cn2cnnc21 Amb23597580 [0,0,1,1,0,0|2,0,0]=4 987 B11R2.106 O=C1NC=Nn2cccc21 Amb21856772 [0,0,1,1,0,0|2,0,0]=4 988 B11R2.106 O=C1NN=Cn2cccc21 Amb19514631 [0,0,1,1,0,0|0,0,2]=4 989 B11R2.106 Oc1cccc2ncoc12 Amb26949852 [0,0,1,1,0,0|2,0,0]=4 990 B11R2.106 Oc1cccn2cnnc12 Amb33712853 [0,0,1,1,0,0|2,0,0]=4 991 B11R2.106 Oc1cncc2ccoc12 Amb28250077 [0,0,1,1,0,0|2,0,0]=4 992 B11R2.106 Oc1cncc2ccsc12 Amb24616061 [0,0,1,1,0,0|2,0,0]=4 993 B11R2.106 Oc1nccn2ccnc12 Amb19373687 [0,0,1,1,0,0|2,0,0]=4 994 B11R2.106 Oc1nncc2ccsc12 Amb31188227 [0,0,1,1,0,0|1,0,0]=3 995 B11R2.106 Oc1nncc2occc12 Amb23560302 [0,0,1,1,0,0|2,0,0]=4 996 B11R2.18 C1=CN2C=CNC2=CN=N1 Amb25806725 [0,0,1,1,0,0|2,0,0]=4 997 B13R3.1962 c1ncc2c3ccc(c2n1)C3 Amb25061632 [0,0,0,1,0,1|2,0,0]=4 998 B13R3.1962 c1ncc2c3ccc(o3)c2n1 Amb25772419 [0,0,0,1,0,1|2,0,0]=4 999 B11R1.16 C=C\C=C(\N)c1ccccn1 Amb24579514 [0,0,1,0,0,1|2,0,0]=4 1000 B11R1.16 C=N\N=C(\N)c1cnccn1 Amb27174632 [0,0,1,0,0,1|1,0,1]=4 1001 B11R1.28 N\C=C\C=C\c1ccccn1 Amb27961333 [0,0,1,0,0,1|2,0,0]=4 1002 B13R2.3 c1cc(-c2ccncn2)ncn1 Amb22730775 [0,0,0,0,0,2|1,0,1]=4 1003 B13R2.3 c1cc(-c2ccnnc2)ccn1 Amb23560284 [0,0,0,0,0,2|2,0,0]=4 1004 B13R2.3 c1cc(-c2nccnn2)ccn1 Amb25249832 [0,0,0,0,0,2|2,0,0]=4 1005 B13R2.3 c1cc(-c2ncncn2)ccn1 Amb22266715 [0,0,0,0,0,2|2,0,0]=4 1006 B13R2.3 c1ccc(-c2cccnn2)cc1 Amb2732076 [0,0,0,0,0,2|2,0,0]=4 1007 B13R2.3 c1ccc(-c2cccnn2)nc1 Amb5283910 [0,0,0,0,0,2|1,0,1]=4 1008 B13R2.3 c1ccc(-c2ccncn2)cc1 Amb2609975 [0,0,0,0,0,2|2,0,0]=4 1009 B13R2.3 c1ccc(-c2ccncn2)nc1 Amb4009176 [0,0,0,0,0,2|1,0,1]=4 1010 B13R2.3 c1ccc(-c2ccnnc2)nc1 Amb23560282 [0,0,0,0,0,2|1,0,1]=4 1011 B13R2.3 c1ccc(-c2nccnn2)cc1 Amb639467 [0,0,0,0,0,2|2,0,0]=4 1012 B13R2.3 c1ccc(-c2nccnn2)nc1 Amb32416083 [0,0,0,0,0,2|1,0,1]=4 1013 B13R2.3 c1ccc(-c2ncncn2)cc1 Amb27453528 [0,0,0,0,0,2|2,0,0]=4 1014 B13R2.3 c1cnc(-c2ccncn2)nc1 Amb25934947 [0,0,0,0,0,2|1,0,1]=4 1015 B13R2.3 c1cnc(-c2ncncn2)cn1 Amb27843683 [0,0,0,0,0,2|1,0,1]=4 1016 B13R2.3 c1cncc(-c2ccncn2)c1 Amb22494533 [0,0,0,0,0,2|1,0,1]=4 1017 B13R2.3 c1cncc(-c2ccnnc2)c1 Amb23560283 [0,0,0,0,0,2|1,0,1]=4 1018 B13R2.3 c1cncc(-c2nccnn2)c1 Amb32416082 [0,0,0,0,0,2|1,0,1]=4 1019 B13R2.3 c1cnnc(-c2cccnn2)c1 Amb24116986 [0,0,0,0,0,2|1,0,1]=4 1020 B13R2.3 c1cnnc(-c2ccnnn2)c1 Amb27642677 [0,0,0,0,0,2|1,0,1]=4 1021 B13R2.64 c1ccc(Cc2cnco2)cc1 Amb22753568 [0,0,0,0,0,2|2,0,0]=4 1022 B13R2.64 c1ccc(Cc2ncco2)cc1 Amb17400052 [0,0,0,0,0,2|2,0,0]=4 1023 B13R2.64 c1ccc(Nc2nncs2)cc1 Amb1152996 [0,0,0,0,0,2|1,1,0]=4 1024 B13R2.64 c1ccc(Nc2nncs2)nc1 Amb28243880 [0,0,0,0,0,2|0,1,1]=4 1025 B13R2.64 c1ccc(Sc2nncs2)nc1 Amb28281395 [0,0,0,0,0,2|0,1,1]=4 1026 B13R2.183 C(=N\c1nncs1)/c2cccs2 Amb2441821 [0,0,0,0,0,2|1,1,0]=4 1027 B13R2.183 c1coc(CCc2cnco2)c1 Amb35652276 [0,0,0,0,0,2|2,0,0]=4 1028 B13R2.183 c1csc(CNc2nnco2)n1 Amb27836372 [0,0,0,0,0,2|1,0,1]=4