0 B11R2.106 Brc1ccnc2c1CCN2 Amb24183367 [0,0,0,0,0,0|3,0,1]=4 1 B11R2.106 Brc1ccnc2c1CNC2 Amb27478784 [0,0,0,0,0,0|3,0,1]=4 2 B11R2.106 Brc1ccnc2cscc12 Amb18769724 [0,0,0,0,0,0|4,0,0]=4 3 B11R2.106 Brc1ccnc2oncc12 Amb22496305 [0,0,0,0,0,0|3,0,1]=4 4 B11R2.106 Brc1ccnc2sccc12 Amb26893931 [0,0,0,0,0,0|4,0,0]=4 5 B11R2.106 Brc1nccc2occc12 Amb18187770 [0,0,0,0,0,0|4,0,0]=4 6 B11R2.106 Brc1nccc2sccc12 Amb18771319 [0,0,0,0,0,0|4,0,0]=4 7 B11R2.106 Brc1ncnc2ccsc12 Amb33528248 [0,0,0,0,0,0|4,0,0]=4 8 B11R2.106 Brc1ncnc2ncsc12 Amb18770629 [0,0,0,0,0,0|3,0,1]=4 9 B11R2.106 Brc1ncnc2oncc12 Amb18187365 [0,0,0,0,0,0|2,0,1]=3 10 B11R2.106 Brc1ncnc2sccc12 Amb33528252 [0,0,0,0,0,0|3,0,0]=3 11 B11R2.106 Brc1ncnc2scnc12 Amb28137265 [0,0,0,0,0,0|4,0,0]=4 12 B11R2.106 Brc1ncnc2sncc12 Amb18770655 [0,0,0,0,0,0|2,0,1]=3 13 B11R2.106 Brc1ncnn2cccc12 Amb19515910 [0,0,0,0,0,0|4,0,0]=4 14 B11R2.106 Cc1ccnc2c1CNC2 Amb22276546 [0,0,0,0,0,0|3,0,1]=4 15 B11R2.106 Cc1ccnc2c1CNC2 Amb35751895 [0,0,0,0,0,0|3,0,1]=4 16 B11R2.106 Cc1ccnc2occc12 Amb23437177 [0,0,0,0,0,0|4,0,0]=4 17 B11R2.106 Cc1nccc2c1CNC2 Amb18203141 [0,0,0,0,0,0|3,0,1]=4 18 B11R2.106 Cc1nccc2occc12 Amb23585452 [0,0,0,0,0,0|4,0,0]=4 19 B11R2.106 Cc1ncnc2ccsc12 Amb27839033 [0,0,0,0,0,0|4,0,0]=4 20 B11R2.106 Clc1ccnc2c1CCN2 Amb25980973 [0,0,0,0,0,0|3,0,1]=4 21 B11R2.106 Clc1ccnc2c1CCN2 Amb30633723 [0,0,0,0,0,0|3,0,1]=4 22 B11R2.106 Clc1ccnc2c1CNC2 Amb24087639 [0,0,0,0,0,0|3,0,1]=4 23 B11R2.106 Clc1ccnc2c1CNC2 Amb24577957 [0,0,0,0,0,0|3,0,1]=4 24 B11R2.106 Clc1ccnc2c1CNC2 Amb33338858 [0,0,0,0,0,0|3,0,1]=4 25 B11R2.106 Clc1ccnc2occc12 Amb22002181 [0,0,0,0,0,0|4,0,0]=4 26 B11R2.106 Clc1ccnc2sccc12 Amb22495454 [0,0,0,0,0,0|4,0,0]=4 27 B11R2.106 Clc1nccc2c1CCN2 Amb20241664 [0,0,0,0,0,0|3,0,1]=4 28 B11R2.106 Clc1nccc2c1CCN2 Amb21960889 [0,0,0,0,0,0|3,0,1]=4 29 B11R2.106 Clc1nccc2occc12 Amb19958464 [0,0,0,0,0,0|4,0,0]=4 30 B11R2.106 Clc1nccc2occc12 Amb2724787 [0,0,0,0,0,0|4,0,0]=4 31 B11R2.106 Clc1nccc2sccc12 Amb8630210 [0,0,0,0,0,0|4,0,0]=4 32 B11R2.106 Clc1ncnc2[n-]cnc12 Amb2609484 [0,0,0,0,0,0|3,0,1]=4 33 B11R2.106 Clc1ncnc2c1CC=N2 Amb27960916 [0,0,0,0,0,0|2,0,2]=4 34 B11R2.106 Clc1ncnc2c1CCC2 Amb13952771 [0,0,0,0,0,0|3,0,1]=4 35 B11R2.106 Clc1ncnc2c1CCN2 Amb19958058 [0,0,0,0,0,0|2,0,1]=3 36 B11R2.106 Clc1ncnc2c1CCO2 Amb24389572 [0,0,0,0,0,0|3,0,1]=4 37 B11R2.106 Clc1ncnc2c1CNC2 Amb26516626 [0,0,0,0,0,0|2,0,1]=3 38 B11R2.106 Clc1ncnc2c1CNC2 Amb31028952 [0,0,0,0,0,0|2,0,1]=3 39 B11R2.106 Clc1ncnc2c1COC2 Amb25794874 [0,0,0,0,0,0|3,0,1]=4 40 B11R2.106 Clc1ncnc2ccoc12 Amb19957778 [0,0,0,0,0,0|4,0,0]=4 41 B11R2.106 Clc1ncnc2ccsc12 Amb1157241 [0,0,0,0,0,0|4,0,0]=4 42 B11R2.106 Clc1ncnc2cscc12 Amb27592444 [0,0,0,0,0,0|3,0,0]=3 43 B11R2.106 Clc1ncnc2ncsc12 Amb22735978 [0,0,0,0,0,0|3,0,1]=4 44 B11R2.106 Clc1ncnc2nncn12 Amb28049637 [0,0,0,0,0,0|2,0,2]=4 45 B11R2.106 Clc1ncnc2nonc12 Amb28323600 [0,0,0,0,0,0|3,0,1]=4 46 B11R2.106 Clc1ncnc2nsnc12 Amb27447881 [0,0,0,0,0,0|3,0,1]=4 47 B11R2.106 Clc1ncnc2occc12 Amb10602706 [0,0,0,0,0,0|3,0,0]=3 48 B11R2.106 Clc1ncnc2ocnc12 Amb26017335 [0,0,0,0,0,0|4,0,0]=4 49 B11R2.106 Clc1ncnc2oncc12 Amb8878131 [0,0,0,0,0,0|2,0,1]=3 50 B11R2.106 Clc1ncnc2sccc12 Amb1151316 [0,0,0,0,0,0|3,0,0]=3 51 B11R2.106 Clc1ncnc2scnc12 Amb16231481 [0,0,0,0,0,0|4,0,0]=4 52 B11R2.106 Clc1ncnc2sncc12 Amb27970336 [0,0,0,0,0,0|2,0,1]=3 53 B11R2.106 Clc1ncnn2cccc12 Amb19516062 [0,0,0,0,0,0|4,0,0]=4 54 B11R2.106 Clc1ncnn2cncc12 Amb2698403 [0,0,0,0,0,0|3,0,1]=4 55 B11R2.106 Fc1nccc2occc12 Amb33621245 [0,0,0,0,0,0|4,0,0]=4 56 B11R2.106 Fc1ncnc2c1CCC2 Amb35642445 [0,0,0,0,0,0|3,0,1]=4 57 B11R2.106 Fc1ncnc2c1CSC2 Amb35649663 [0,0,0,0,0,0|3,0,1]=4 58 B11R2.106 Fc1ncnc2ccsc12 Amb30034076 [0,0,0,0,0,0|4,0,0]=4 59 B11R2.106 Fc1ncnc2scnc12 Amb35653682 [0,0,0,0,0,0|4,0,0]=4 60 B11R2.106 Ic1ccnc2c1CCN2 Amb25229555 [0,0,0,0,0,0|3,0,1]=4 61 B11R2.106 Ic1ccnc2occc12 Amb30869427 [0,0,0,0,0,0|4,0,0]=4 62 B11R2.106 Ic1ccnc2sccc12 Amb28051587 [0,0,0,0,0,0|4,0,0]=4 63 B11R2.106 Ic1nccc2sccc12 Amb22500106 [0,0,0,0,0,0|4,0,0]=4 64 B11R2.106 NC1N=CN=C2N=NC=C21 Amb9826087 [0,0,0,0,0,0|1,0,3]=4 65 B11R2.106 Nc1ccnc2occc12 Amb28286823 [0,0,0,0,0,0|4,0,0]=4 66 B11R2.106 Nc1ccnc2oncc12 Amb27193848 [0,0,0,0,0,0|3,0,1]=4 67 B11R2.106 Nc1nccc2occc12 Amb23590989 [0,0,0,0,0,0|4,0,0]=4 68 B11R2.106 Nc1nccc2sccc12 Amb9380596 [0,0,0,0,0,0|4,0,0]=4 69 B11R2.106 Nc1ncnc2c1CCC2 Amb1161445 [0,0,0,0,0,0|3,0,1]=4 70 B11R2.106 Nc1ncnc2c1CCN2 Amb18832448 [0,0,0,0,0,0|2,0,1]=3 71 B11R2.106 Nc1ncnc2c1CNC2 Amb21856937 [0,0,0,0,0,0|2,0,1]=3 72 B11R2.106 Nc1ncnc2c1NCN2 Amb27755022 [0,0,0,0,0,0|3,0,0]=3 73 B11R2.106 Nc1ncnc2c1OCO2 Amb18202980 [0,0,0,0,0,0|4,0,0]=4 74 B11R2.106 Nc1ncnc2c1SCC2 Amb18831109 [0,0,0,0,0,0|4,0,0]=4 75 B11R2.106 Nc1ncnc2ccsc12 Amb8997059 [0,0,0,0,0,0|4,0,0]=4 76 B11R2.106 Nc1ncnc2csnc12 Amb25069099 [0,0,0,0,0,0|4,0,0]=4 77 B11R2.106 Nc1ncnc2nncn12 Amb26400298 [0,0,0,0,0,0|2,0,2]=4 78 B11R2.106 Nc1ncnc2nonc12 Amb3777889 [0,0,0,0,0,0|3,0,1]=4 79 B11R2.106 Nc1ncnc2occc12 Amb18203124 [0,0,0,0,0,0|3,0,0]=3 80 B11R2.106 Nc1ncnc2ocnc12 Amb24066869 [0,0,0,0,0,0|4,0,0]=4 81 B11R2.106 Nc1ncnc2sccc12 Amb2429172 [0,0,0,0,0,0|3,0,0]=3 82 B11R2.106 Nc1ncnc2scnc12 Amb24309366 [0,0,0,0,0,0|4,0,0]=4 83 B11R2.106 Nc1ncnc2sncc12 Amb18201371 [0,0,0,0,0,0|2,0,1]=3 84 B11R2.106 Nc1ncnn2cccc12 Amb7172536 [0,0,0,0,0,0|4,0,0]=4 85 B11R2.106 O=C1C=CN=C2NCCN12 Amb26856215 [0,0,0,0,0,0|3,0,1]=4 86 B11R2.106 O=C1C=CN=C2SC=CN12 Amb19550090 [0,0,0,0,0,0|4,0,0]=4 87 B11R2.106 O=C1C=CNc2cscc21 Amb27411994 [0,0,0,0,0,0|3,0,1]=4 88 B11R2.106 O=C1C=CSc2sccc21 Amb25146412 [0,0,0,0,0,0|4,0,0]=4 89 B11R2.106 O=C1N=CC=C2NC=CN12 Amb19882322 [0,0,0,0,0,0|3,0,0]=3 90 B11R2.106 O=C1N=CC=C2NCCN12 Amb27953202 [0,0,0,0,0,0|3,0,1]=4 91 B11R2.106 O=C1N=CC=C2NN=CN12 Amb28382338 [0,0,0,0,0,0|2,0,1]=3 92 B11R2.106 O=C1N=CC=C2NNN=C12 Amb29838319 [0,0,0,0,0,0|2,0,0]=2 93 B11R2.106 O=C1N=CN=C2C=COC12 Amb26574474 [0,0,0,0,0,0|3,0,1]=4 94 B11R2.106 O=C1N=CN=C2N=NC=C12 Amb27843585 [0,0,0,0,0,0|0,0,2]=2 95 B11R2.106 O=C1N=CN=C2N=NN=C12 Amb28056851 [0,0,0,0,0,0|1,0,2]=3 96 B11R2.106 O=C1N=CN=C2NNC=C12 Amb22395914 [0,0,0,0,0,0|0,0,0]=0 97 B11R2.106 O=C1N=CNc2ccsc21 Amb19665743 [0,0,0,0,0,0|3,0,1]=4 98 B11R2.106 O=C1N=CNc2sccc21 Amb22371621 [0,0,0,0,0,0|2,0,1]=3 99 B11R2.106 O=C1N=CNn2cccc21 Amb21922903 [0,0,0,0,0,0|3,0,1]=4 100 B11R2.106 O=C1N=NC=C2N=NC=C12 Amb27972838 [0,0,0,0,0,0|2,0,2]=4 101 B11R2.106 O=C1N=NN=C2N=CN=C12 Amb25889975 [0,0,0,0,0,0|3,0,1]=4 102 B11R2.106 O=C1NC=CC2=C1CCN2 Amb24696478 [0,0,0,0,0,0|2,0,2]=4 103 B11R2.106 O=C1NC=Cc2cscc21 Amb27838096 [0,0,0,0,0,0|3,0,1]=4 104 B11R2.106 O=C1NC=Cc2occc21 Amb19267112 [0,0,0,0,0,0|3,0,1]=4 105 B11R2.106 O=C1NC=NC2=C1CN=N2 Amb24079502 [0,0,0,0,0,0|0,0,4]=4 106 B11R2.106 O=C1NC=NC2=C1COC2 Amb25675730 [0,0,0,0,0,0|2,0,2]=4 107 B11R2.106 O=C1NC=NC2=C1SCC2 Amb27425098 [0,0,0,0,0,0|3,0,1]=4 108 B11R2.106 O=C1NC=Nc2ccoc21 Amb22234742 [0,0,0,0,0,0|3,0,1]=4 109 B11R2.106 O=C1NC=Nc2ccsc21 Amb18537410 [0,0,0,0,0,0|3,0,1]=4 110 B11R2.106 O=C1NC=Nc2cncn21 Amb25340402 [0,0,0,0,0,0|2,0,2]=4 111 B11R2.106 O=C1NC=Nc2nccn21 Amb27185961 [0,0,0,0,0,0|2,0,2]=4 112 B11R2.106 O=C1NC=Nc2nonc21 Amb27856085 [0,0,0,0,0,0|2,0,2]=4 113 B11R2.106 O=C1NC=Nc2nsnc21 Amb25248843 [0,0,0,0,0,0|2,0,2]=4 114 B11R2.106 O=C1NC=Nc2occc21 Amb22371686 [0,0,0,0,0,0|2,0,1]=3 115 B11R2.106 O=C1NC=Nc2sccc21 Amb18031834 [0,0,0,0,0,0|2,0,1]=3 116 B11R2.106 O=C1NC=Nc2sncc21 Amb25887991 [0,0,0,0,0,0|1,0,2]=3 117 B11R2.106 O=C1NC=Nc2snnc21 Amb21864212 [0,0,0,0,0,0|2,0,2]=4 118 B11R2.106 O=C1NC=Nn2cccc21 Amb21856772 [0,0,0,0,0,0|3,0,1]=4 119 B11R2.106 O=C1NC=Nn2cncc21 Amb22292008 [0,0,0,0,0,0|2,0,2]=4 120 B11R2.106 O=c1nccc2ncnc12 Amb4010214 [0,0,0,0,0,0|3,0,1]=4 121 B11R2.106 OC1=NC=NC2NN=CC12 Amb26584516 [0,0,0,0,0,0|0,0,4]=4 122 B11R2.106 Oc1ccnc2c1CCN2 Amb24183701 [0,0,0,0,0,0|2,0,2]=4 123 B11R2.106 Oc1ccnc2occc12 Amb27225150 [0,0,0,0,0,0|3,0,1]=4 124 B11R2.106 Oc1ccnc2sccc12 Amb18644462 [0,0,0,0,0,0|3,0,1]=4 125 B11R2.106 Oc1nccc2c1CCN2 Amb31031200 [0,0,0,0,0,0|2,0,2]=4 126 B11R2.106 Oc1nccc2sccc12 Amb21856975 [0,0,0,0,0,0|3,0,1]=4 127 B11R2.106 Oc1ncnc2c1CCC2 Amb33548913 [0,0,0,0,0,0|2,0,2]=4 128 B11R2.106 Oc1ncnc2c1CCO2 Amb16218115 [0,0,0,0,0,0|2,0,2]=4 129 B11R2.106 Oc1ncnc2c1CNC2 Amb18203084 [0,0,0,0,0,0|1,0,2]=3 130 B11R2.106 Oc1ncnc2c1CSC2 Amb24179227 [0,0,0,0,0,0|2,0,2]=4 131 B11R2.106 Oc1ncnc2nncn12 Amb25850475 [0,0,0,0,0,0|1,0,3]=4 132 B11R2.106 Oc1ncnc2scnc12 Amb22495940 [0,0,0,0,0,0|3,0,1]=4 133 B11R2.106 S=C1N=CN=C2C=CN=C12 Amb27761675 [0,0,0,0,0,0|3,1,0]=4 134 B11R2.106 S=C1N=CN=C2C=NN=C12 Amb27457000 [0,0,0,0,0,0|2,1,1]=4 135 B11R2.106 S=C1N=CN=C2N=CC=C12 Amb27443636 [0,0,0,0,0,0|1,1,1]=3 136 B11R2.106 S=C1NC=Nc2sccc21 Amb18526871 [0,0,0,0,0,0|2,1,1]=4 137 B11R2.106 Sc1ncnc2c1CCC2 Amb4274895 [0,0,0,0,0,0|2,1,1]=4 138 B11R2.106 Sc1ncnc2c1CCN2 Amb27985484 [0,0,0,0,0,0|1,1,1]=3 139 B11R2.106 Sc1ncnc2c1CNC2 Amb27967878 [0,0,0,0,0,0|1,1,1]=3 140 B11R2.106 Sc1ncnc2ccsc12 Amb2371570 [0,0,0,0,0,0|3,1,0]=4 141 B11R2.106 Sc1ncnc2oncc12 Amb13881471 [0,0,0,0,0,0|1,1,1]=3 142 B11R2.106 Sc1ncnc2sccc12 Amb1151008 [0,0,0,0,0,0|2,1,0]=3 143 B11R2.106 Sc1ncnc2scnc12 Amb27875409 [0,0,0,0,0,0|3,1,0]=4 144 B10R2.7 C1=CC2=CCNC2N=C1 Amb28346190 [1,0,0,0,0,0|2,0,1]=4 145 B10R2.7 C1=CC2=NCC=C2C=N1 Amb27423430 [1,0,0,0,0,0|2,0,1]=4 146 B10R2.7 C1=Cc2cnccc2C1 Amb27945600 [1,0,0,0,0,0|3,0,0]=4 147 B10R2.7 C1=NC=NC2=CCN=C12 Amb25349342 [1,0,0,0,0,0|3,0,0]=4 148 B10R2.7 C1=NC=NC2=NCN=C12 Amb27244978 [1,0,0,0,0,0|2,0,1]=4 149 B10R2.7 C1=NCC2=CC=NC2=N1 Amb22501144 [1,0,0,0,0,0|1,0,2]=4 150 B10R2.7 c1cc2c(cn1)CCN2 Amb19515489 [1,0,0,0,0,0|2,0,1]=4 151 B10R2.7 c1cc2c(cn1)CCN2 Amb22372217 [1,0,0,0,0,0|2,0,1]=4 152 B10R2.7 c1cc2c(cn1)CNC2 Amb10067652 [1,0,0,0,0,0|2,0,1]=4 153 B10R2.7 c1cc2c(cn1)CNC2 Amb20242101 [1,0,0,0,0,0|2,0,1]=4 154 B10R2.7 c1cc2c(cn1)CNC2 Amb2696535 [1,0,0,0,0,0|2,0,1]=4 155 B10R2.7 c1cc2cncnn2c1 Amb27158037 [1,0,0,0,0,0|3,0,0]=4 156 B10R2.7 c1cc2occc2cn1 Amb19895064 [1,0,0,0,0,0|3,0,0]=4 157 B10R2.7 c1cc2oncc2cn1 Amb27764807 [1,0,0,0,0,0|2,0,1]=4 158 B10R2.7 c1cc2sccc2cn1 Amb32664779 [1,0,0,0,0,0|3,0,0]=4 159 B10R2.7 c1cc2sccc2cn1 Amb8383970 [1,0,0,0,0,0|3,0,0]=4 160 B10R2.7 c1cc2sncc2cn1 Amb27763388 [1,0,0,0,0,0|2,0,1]=4 161 B10R2.7 c1ccc2c(c1)CNN2 Amb8386538 [1,0,0,0,0,0|2,0,1]=4 162 B10R2.7 c1cnc2c(c1)CCN2 Amb32406061 [1,0,0,0,0,0|2,0,1]=4 163 B10R2.7 c1cnc2c(c1)CCN2 Amb6751887 [1,0,0,0,0,0|2,0,1]=4 164 B10R2.7 c1cnc2c(c1)CNC2 Amb20671408 [1,0,0,0,0,0|2,0,1]=4 165 B10R2.7 c1cnc2c(c1)CNC2 Amb22489863 [1,0,0,0,0,0|2,0,1]=4 166 B10R2.7 c1cnc2c(c1)CNC2 Amb2696534 [1,0,0,0,0,0|2,0,1]=4 167 B10R2.7 c1cnc2c(c1)CNC2 Amb33172747 [1,0,0,0,0,0|2,0,1]=4 168 B10R2.7 c1cnc2c(c1)CNC2 Amb33172763 [1,0,0,0,0,0|2,0,1]=4 169 B10R2.7 c1cnc2c(c1)CNC2 Amb8630212 [1,0,0,0,0,0|2,0,1]=4 170 B10R2.7 c1cnc2cscc2c1 Amb27955126 [1,0,0,0,0,0|3,0,0]=4 171 B10R2.7 c1cnc2occc2c1 Amb21963452 [1,0,0,0,0,0|3,0,0]=4 172 B10R2.7 c1cnc2oncc2c1 Amb27954714 [1,0,0,0,0,0|2,0,1]=4 173 B10R2.7 c1cnc2sccc2c1 Amb10070403 [1,0,0,0,0,0|3,0,0]=4 174 B10R2.7 c1ncc2c(n1)CCN2 Amb18832993 [1,0,0,0,0,0|3,0,0]=4 175 B10R2.7 c1ncc2c(n1)CNC2 Amb18832997 [1,0,0,0,0,0|1,0,1]=3 176 B10R2.7 c1ncc2c(n1)CNC2 Amb19515827 [1,0,0,0,0,0|1,0,1]=3 177 B10R2.7 c1ncc2c(n1)CNC2 Amb19957583 [1,0,0,0,0,0|1,0,1]=3 178 B10R2.7 c1ncc2c(n1)NCC2 Amb18832998 [1,0,0,0,0,0|1,0,1]=3 179 B10R2.7 c1ncc2c(n1)NCC2 Amb28935009 [1,0,0,0,0,0|1,0,1]=3 180 B10R2.7 c1ncc2c(n1)OCC2 Amb27636198 [1,0,0,0,0,0|2,0,1]=4 181 B10R2.7 c1ncc2ccsc2n1 Amb22497707 [1,0,0,0,0,0|2,0,0]=3 182 B10R2.7 c1ncc2cnoc2n1 Amb24546053 [1,0,0,0,0,0|1,0,1]=3 183 B10R2.7 c1ncc2conc2n1 Amb26370588 [1,0,0,0,0,0|1,0,1]=3 184 B10R2.7 c1ncc2ncoc2n1 Amb24066874 [1,0,0,0,0,0|3,0,0]=4 185 B10R2.7 c1ncc2nnoc2n1 Amb27434455 [1,0,0,0,0,0|2,0,1]=4 186 B10R2.7 c1ncc2nonc2n1 Amb24406552 [1,0,0,0,0,0|2,0,1]=4 187 B10R2.7 c1ncc2sccc2n1 Amb22234765 [1,0,0,0,0,0|3,0,0]=4 188 B10R2.7 c1nnc2c(n1)CNC2 Amb27410113 [1,0,0,0,0,0|2,0,1]=4 189 B12R2.82 CC1=CC=C2NNC=C2C1=N Amb28070759 [0,1,0,0,0,0|3,0,0]=4 190 B12R2.82 CN1C=Nc2sccc2C1=O Amb26605598 [0,1,0,0,0,0|2,0,1]=4 191 B12R2.82 NC1=CN=C2NC=CN2C1=O Amb25700407 [0,1,0,0,0,0|3,0,0]=4 192 B12R2.82 NN1C=Nc2oncc2C1=O Amb18201489 [0,1,0,0,0,0|1,0,2]=4 193 B12R2.82 NN1C=Nc2sccc2C1=O Amb19237680 [0,1,0,0,0,0|2,0,1]=4 194 B12R2.82 O=C1C(Br)=CN=C2NC=CN12 Amb24484865 [0,1,0,0,0,0|3,0,0]=4 195 B12R2.196 CC1=NN=C2C(=O)N=CN=C12 Amb28064027 [0,1,0,0,0,0|2,0,1]=4 196 B12R2.196 CN1NC=C2C(=N)C=CN=C21 Amb28653006 [0,1,0,0,0,0|2,0,0]=3 197 B12R2.196 CN1NC=C2C(=O)N=CN=C21 Amb24079496 [0,1,0,0,0,0|0,0,0]=1 198 B12R2.196 CN1NC=C2C(=O)N=NN=C21 Amb27171180 [0,1,0,0,0,0|1,0,0]=2 199 B12R2.196 Cc1ccnc2c1ccn2C Amb27399574 [0,1,0,0,0,0|3,0,0]=4 200 B12R2.196 Cc1ncnc2c1cnn2C Amb26949829 [0,1,0,0,0,0|1,0,1]=3 201 B12R2.196 Cc1ncnc2c1ncn2C Amb24413928 [0,1,0,0,0,0|3,0,0]=4 202 B12R2.196 Cc1ncnc2c1ncn2N Amb18202104 [0,1,0,0,0,0|3,0,0]=4 203 B12R2.196 Cc1ncnc2c1nnn2C Amb24516875 [0,1,0,0,0,0|2,0,1]=4 204 B12R2.196 Cn1ccc2c(Br)ccnc21 Amb22496111 [0,1,0,0,0,0|3,0,0]=4 205 B12R2.196 Cn1ccc2c(Br)nccc21 Amb18175896 [0,1,0,0,0,0|3,0,0]=4 206 B12R2.196 Cn1ccc2c(Cl)ccnc21 Amb13885289 [0,1,0,0,0,0|3,0,0]=4 207 B12R2.196 Cn1ccc2c(Cl)nccc21 Amb10603767 [0,1,0,0,0,0|3,0,0]=4 208 B12R2.196 Cn1ccc2c(Cl)ncnc21 Amb10602703 [0,1,0,0,0,0|2,0,0]=3 209 B12R2.196 Cn1ccc2c(N)ccnc21 Amb22495596 [0,1,0,0,0,0|3,0,0]=4 210 B12R2.196 Cn1ccc2c(N)nccc21 Amb16233785 [0,1,0,0,0,0|3,0,0]=4 211 B12R2.196 Cn1ccc2c(N)ncnc21 Amb18124907 [0,1,0,0,0,0|2,0,0]=3 212 B12R2.196 Cn1ccc2c1C=CNC2=O Amb22641099 [0,1,0,0,0,0|2,0,1]=4 213 B12R2.196 Cn1cnc2c(Br)ncnc21 Amb18769525 [0,1,0,0,0,0|3,0,0]=4 214 B12R2.196 Cn1cnc2c(Cl)ncnc21 Amb1250739 [0,1,0,0,0,0|3,0,0]=4 215 B12R2.196 Cn1cnc2c(Cl)ncnc21 Amb35747974 [0,1,0,0,0,0|3,0,0]=4 216 B12R2.196 Cn1cnc2c(I)ncnc21 Amb27826376 [0,1,0,0,0,0|3,0,0]=4 217 B12R2.196 Cn1cnc2c(N)ncnc21 Amb2099540 [0,1,0,0,0,0|3,0,0]=4 218 B12R2.196 Cn1cnc2c(O)ncnc21 Amb2796364 [0,1,0,0,0,0|2,0,1]=4 219 B12R2.196 Cn1cnc2c(S)ncnc21 Amb4007866 [0,1,0,0,0,0|2,1,0]=4 220 B12R2.196 Cn1cnc2c1N=CNC2=O Amb19892443 [0,1,0,0,0,0|2,0,1]=4 221 B12R2.196 Cn1ncc2c(Br)ccnc21 Amb20407310 [0,1,0,0,0,0|2,0,1]=4 222 B12R2.196 Cn1ncc2c(Br)ncnc21 Amb33528250 [0,1,0,0,0,0|1,0,1]=3 223 B12R2.196 Cn1ncc2c(Cl)ccnc21 Amb33547476 [0,1,0,0,0,0|2,0,1]=4 224 B12R2.196 Cn1ncc2c(Cl)nccc21 Amb25095531 [0,1,0,0,0,0|2,0,1]=4 225 B12R2.196 Cn1ncc2c(Cl)ncnc21 Amb1106295 [0,1,0,0,0,0|1,0,1]=3 226 B12R2.196 Cn1ncc2c(F)ncnc21 Amb35653826 [0,1,0,0,0,0|1,0,1]=3 227 B12R2.196 Cn1ncc2c(N)ccnc21 Amb24576120 [0,1,0,0,0,0|2,0,1]=4 228 B12R2.196 Cn1ncc2c(N)nccc21 Amb24589667 [0,1,0,0,0,0|2,0,1]=4 229 B12R2.196 Cn1ncc2c(N)ncnc21 Amb546496 [0,1,0,0,0,0|1,0,1]=3 230 B12R2.196 Cn1ncc2c(O)nnnc21 Amb22823268 [0,1,0,0,0,0|1,0,2]=4 231 B12R2.196 Cn1ncc2c(S)ncnc21 Amb2371715 [0,1,0,0,0,0|0,1,1]=3 232 B12R2.196 Cn1ncc2c1C=CNC2=O Amb27242487 [0,1,0,0,0,0|1,0,2]=4 233 B12R2.196 Cn1ncc2c1N=CNC2=O Amb18533280 [0,1,0,0,0,0|0,0,2]=3 234 B12R2.196 Cn1ncc2c1N=CNC2=S Amb18545515 [0,1,0,0,0,0|0,1,2]=4 235 B12R2.196 Cn1ncc2c1N=NNC2=O Amb20622570 [0,1,0,0,0,0|1,0,2]=4 236 B12R2.196 Cn1ncc2c1NC=CC2=O Amb20249365 [0,1,0,0,0,0|1,0,2]=4 237 B12R2.196 Cn1ncc2c1NC=NC2=O Amb21948835 [0,1,0,0,0,0|0,0,2]=3 238 B12R2.196 Cn1nnc2c(Cl)ncnc21 Amb1273320 [0,1,0,0,0,0|2,0,1]=4 239 B12R2.196 Cn1nnc2c(N)ncnc21 Amb18125085 [0,1,0,0,0,0|2,0,1]=4 240 B12R2.196 Cn1nnc2c(S)ncnc21 Amb9174213 [0,1,0,0,0,0|1,1,1]=4 241 B12R2.196 Cn1nnc2c1N=CNC2=O Amb20622419 [0,1,0,0,0,0|1,0,2]=4 242 B12R2.196 Nc1ncnc2c(Br)scc12 Amb27447878 [0,1,0,0,0,0|3,0,0]=4 243 B12R2.196 Nc1ncnc2c1ncn2N Amb28120927 [0,1,0,0,0,0|3,0,0]=4 244 B12R2.196 Nn1cnc2c(O)ncnc21 Amb18201777 [0,1,0,0,0,0|2,0,1]=4 245 B12R2.196 O=C1N=CN=C2C(I)=CN=C12 Amb28366862 [0,1,0,0,0,0|3,0,0]=4 246 B12R2.196 O=C1NC=Nc2c1csc2Br Amb27751842 [0,1,0,0,0,0|2,0,1]=4 247 B12R2.196 O=C1NC=Nc2c1csc2Cl Amb24453295 [0,1,0,0,0,0|2,0,1]=4 248 B12R2.202 Brc1cc2c(Br)ncnc2s1 Amb25276773 [0,1,0,0,0,0|3,0,0]=4 249 B12R2.202 CC1CC2=C(N=CNC2=O)N1 Amb18201693 [0,1,0,0,0,0|1,0,2]=4 250 B12R2.202 CC1Cc2c(N)ncnc2N1 Amb18201887 [0,1,0,0,0,0|2,0,1]=4 251 B12R2.202 CN1C=C2C(=O)N=CC=C2N1 Amb27664065 [0,1,0,0,0,0|1,0,0]=2 252 B12R2.202 CN1Cc2ncnc(N)c2C1 Amb18201894 [0,1,0,0,0,0|2,0,1]=4 253 B12R2.202 CN1Cc2ncnc(O)c2C1 Amb28436376 [0,1,0,0,0,0|1,0,2]=4 254 B12R2.202 Cc1cc2c(Cl)ncnc2s1 Amb2686253 [0,1,0,0,0,0|3,0,0]=4 255 B12R2.202 Cc1cc2c(N)ncnc2o1 Amb18202154 [0,1,0,0,0,0|3,0,0]=4 256 B12R2.202 Cc1cc2c(N)ncnc2s1 Amb17067910 [0,1,0,0,0,0|3,0,0]=4 257 B12R2.202 Cc1cc2c(o1)N=CNC2=O Amb24356598 [0,1,0,0,0,0|2,0,1]=4 258 B12R2.202 Cc1cc2c(s1)N=CNC2=O Amb18371815 [0,1,0,0,0,0|2,0,1]=4 259 B12R2.202 Cc1ncnc2c1CC(=O)N2 Amb27487358 [0,1,0,0,0,0|2,0,1]=4 260 B12R2.202 Cc1ncnc2c1NC(=O)N2 Amb22008622 [0,1,0,0,0,0|3,0,0]=4 261 B12R2.202 Cc1ncnc2sc(N)cc12 Amb28347083 [0,1,0,0,0,0|3,0,0]=4 262 B12R2.202 Clc1cc2c(Cl)ncnc2s1 Amb24647901 [0,1,0,0,0,0|3,0,0]=4 263 B12R2.202 Clc1ncnc2sc(Br)cc12 Amb10067722 [0,1,0,0,0,0|3,0,0]=4 264 B12R2.202 Clc1ncnc2sc(I)cc12 Amb27986055 [0,1,0,0,0,0|3,0,0]=4 265 B12R2.202 Cn1cc2c(Cl)ccnc2n1 Amb26482065 [0,1,0,0,0,0|2,0,1]=4 266 B12R2.202 Cn1cc2c(Cl)nccc2n1 Amb30869421 [0,1,0,0,0,0|2,0,1]=4 267 B12R2.202 Cn1cc2c(Cl)ncnc2n1 Amb28399273 [0,1,0,0,0,0|1,0,1]=3 268 B12R2.202 Cn1cc2c(N)ncnc2n1 Amb27976864 [0,1,0,0,0,0|1,0,1]=3 269 B12R2.202 Cn1cc2c(c1)C(=O)NC=N2 Amb33457528 [0,1,0,0,0,0|1,0,1]=3 270 B12R2.202 Cn1cc2c(n1)N=CNC2=O Amb24079499 [0,1,0,0,0,0|0,0,2]=3 271 B12R2.202 Cn1cc2c(n1)N=CNC2=S Amb27947238 [0,1,0,0,0,0|0,1,2]=4 272 B12R2.202 Cn1cc2ncnc(N)c2c1 Amb23511830 [0,1,0,0,0,0|2,0,0]=3 273 B12R2.202 Cn1cc2ncnc(N)c2n1 Amb23556417 [0,1,0,0,0,0|3,0,0]=4 274 B12R2.202 Cn1cc2ncnc(O)c2n1 Amb24509081 [0,1,0,0,0,0|2,0,1]=4 275 B12R2.202 Cn1nc2ncnc(N)c2n1 Amb18125095 [0,1,0,0,0,0|2,0,1]=4 276 B12R2.202 N=C1Nc2ncnc(N)c2N1 Amb23535614 [0,1,0,0,0,0|3,0,0]=4 277 B12R2.202 NC1=CN2C(=O)C=CN=C2N1 Amb18831307 [0,1,0,0,0,0|3,0,0]=4 278 B12R2.202 NC1=NC2=NC=NC(=O)C2=C1 Amb27836000 [0,1,0,0,0,0|1,0,1]=3 279 B12R2.202 Nc1cc2c(F)ncnc2s1 Amb33035695 [0,1,0,0,0,0|3,0,0]=4 280 B12R2.202 Nc1cc2c(s1)N=CNC2=O Amb18199493 [0,1,0,0,0,0|2,0,1]=4 281 B12R2.202 Nc1ncnc2c1CC(=O)N2 Amb18201982 [0,1,0,0,0,0|2,0,1]=4 282 B12R2.202 Nc1ncnc2c1NC(=O)N2 Amb18201793 [0,1,0,0,0,0|3,0,0]=4 283 B12R2.202 Nc1ncnc2c1SC(=O)N2 Amb21963446 [0,1,0,0,0,0|3,0,0]=4 284 B12R2.202 Nc1ncnc2oc(Br)cc12 Amb27166478 [0,1,0,0,0,0|3,0,0]=4 285 B12R2.202 Nc1ncnc2oc(Cl)cc12 Amb25096930 [0,1,0,0,0,0|3,0,0]=4 286 B12R2.202 Nc1ncnc2sc(Br)cc12 Amb18135246 [0,1,0,0,0,0|3,0,0]=4 287 B12R2.202 O=C1C=CN=C2NC(Br)=CN12 Amb18770520 [0,1,0,0,0,0|3,0,0]=4 288 B12R2.202 O=C1Cc2c(Cl)ncnc2N1 Amb10602676 [0,1,0,0,0,0|2,0,1]=4 289 B12R2.202 O=C1Cc2c(O)ncnc2N1 Amb25292948 [0,1,0,0,0,0|1,0,2]=4 290 B12R2.202 O=C1N=CNc2sc(Br)cc21 Amb19944717 [0,1,0,0,0,0|2,0,1]=4 291 B12R2.202 O=C1N=CNc2sc(I)cc21 Amb27830019 [0,1,0,0,0,0|2,0,1]=4 292 B12R2.202 O=C1NC=Nc2sc(Br)cc21 Amb18160525 [0,1,0,0,0,0|2,0,1]=4 293 B12R2.202 O=C1NC=Nc2sc(Cl)cc21 Amb25952512 [0,1,0,0,0,0|2,0,1]=4 294 B12R2.202 O=C1Nc2ncnc(Br)c2N1 Amb18770938 [0,1,0,0,0,0|3,0,0]=4 295 B12R2.202 O=C1Nc2ncnc(Cl)c2N1 Amb22751605 [0,1,0,0,0,0|3,0,0]=4 296 B12R2.203 CC1=C2C(=O)N=CC=C2ON1 Amb25322836 [0,1,0,0,0,0|2,0,0]=3 297 B12R2.203 CC1=C2C(=O)N=CN=C2N=C1 Amb27201801 [0,1,0,0,0,0|1,0,1]=3 298 B12R2.203 CC1=C2C(=O)N=CN=C2ON1 Amb22491282 [0,1,0,0,0,0|1,0,0]=2 299 B12R2.203 CC1=NNC2=CC=NC(=O)N21 Amb24678372 [0,1,0,0,0,0|2,0,1]=4 300 B12R2.203 CC1=NNC2=NC=CC(=O)N12 Amb29845409 [0,1,0,0,0,0|2,0,1]=4 301 B12R2.203 CN1CNc2ncnc(Cl)c21 Amb28365513 [0,1,0,0,0,0|3,0,0]=4 302 B12R2.203 Cc1cccc2c1C(=N)NN2 Amb24413143 [0,1,0,0,0,0|3,0,0]=4 303 B12R2.203 Cc1ccnc2c1C(=O)NN2 Amb22494155 [0,1,0,0,0,0|2,0,0]=3 304 B12R2.203 Cc1coc2c1C(=O)NC=N2 Amb20529507 [0,1,0,0,0,0|2,0,1]=4 305 B12R2.203 Cc1coc2ncnc(Cl)c12 Amb22491940 [0,1,0,0,0,0|3,0,0]=4 306 B12R2.203 Cc1coc2ncnc(N)c12 Amb25145894 [0,1,0,0,0,0|3,0,0]=4 307 B12R2.203 Cc1csc2c1C(=O)NC=N2 Amb19665762 [0,1,0,0,0,0|2,0,1]=4 308 B12R2.203 Cc1csc2ncnc(Br)c12 Amb28289038 [0,1,0,0,0,0|3,0,0]=4 309 B12R2.203 Cc1csc2ncnc(Cl)c12 Amb2686252 [0,1,0,0,0,0|3,0,0]=4 310 B12R2.203 Cc1csc2ncnc(I)c12 Amb27240124 [0,1,0,0,0,0|3,0,0]=4 311 B12R2.203 Cc1ncnc2c1C(=O)CC2 Amb18202260 [0,1,0,0,0,0|3,0,0]=4 312 B12R2.203 Cc1ncnc2scc(N)c12 Amb18680441 [0,1,0,0,0,0|3,0,0]=4 313 B12R2.203 Cc1noc2c1C(=O)NC=N2 Amb19516909 [0,1,0,0,0,0|1,0,2]=4 314 B12R2.203 Cc1noc2ncnc(Br)c12 Amb18770515 [0,1,0,0,0,0|2,0,1]=4 315 B12R2.203 Cc1noc2ncnc(Cl)c12 Amb17622044 [0,1,0,0,0,0|2,0,1]=4 316 B12R2.203 Cc1noc2ncnc(N)c12 Amb9781852 [0,1,0,0,0,0|2,0,1]=4 317 B12R2.203 Cc1nsc2ncnc(Br)c12 Amb18161150 [0,1,0,0,0,0|2,0,1]=4 318 B12R2.203 Cc1nsc2ncnc(Cl)c12 Amb24406288 [0,1,0,0,0,0|2,0,1]=4 319 B12R2.203 Cc1nsc2ncnc(F)c12 Amb35653845 [0,1,0,0,0,0|2,0,1]=4 320 B12R2.203 Cc1nsc2ncnc(O)c12 Amb25076114 [0,1,0,0,0,0|1,0,2]=4 321 B12R2.203 Clc1ncnc2occ(Br)c12 Amb27173560 [0,1,0,0,0,0|3,0,0]=4 322 B12R2.203 Clc1ncnc2scc(Br)c12 Amb19958327 [0,1,0,0,0,0|3,0,0]=4 323 B12R2.203 Clc1ncnc2scc(I)c12 Amb21857700 [0,1,0,0,0,0|3,0,0]=4 324 B12R2.203 Fc1ncnc2scc(Br)c12 Amb27634273 [0,1,0,0,0,0|3,0,0]=4 325 B12R2.203 NC1=C2C(=O)N=CC=C2NN1 Amb22015144 [0,1,0,0,0,0|1,0,0]=2 326 B12R2.203 NC1=NNC2=NC=CC(=O)N12 Amb18224280 [0,1,0,0,0,0|2,0,1]=4 327 B12R2.203 Nc1nccc2c1C(=O)NC2 Amb18202155 [0,1,0,0,0,0|3,0,0]=4 328 B12R2.203 Nc1ncnc2c1C(=O)NN2 Amb24062017 [0,1,0,0,0,0|1,0,0]=2 329 B12R2.203 Nc1ncnc2occ(Br)c12 Amb25147888 [0,1,0,0,0,0|3,0,0]=4 330 B12R2.203 Nc1ncnc2scc(Br)c12 Amb26371229 [0,1,0,0,0,0|3,0,0]=4 331 B12R2.203 Nc1ncnc2scc(Cl)c12 Amb27638798 [0,1,0,0,0,0|3,0,0]=4 332 B12R2.203 Nc1ncnc2scc(I)c12 Amb27438741 [0,1,0,0,0,0|3,0,0]=4 333 B12R2.203 Nc1ncnc2snc(Br)c12 Amb18744858 [0,1,0,0,0,0|2,0,1]=4 334 B12R2.203 Nc1onc2ncnc(O)c12 Amb27796608 [0,1,0,0,0,0|1,0,2]=4 335 B12R2.203 O=C1N=CN=C2NNC(Br)=C12 Amb22489539 [0,1,0,0,0,0|0,0,0]=1 336 B12R2.203 O=C1NC=NC2=C1C(=O)NN2 Amb25185146 [0,1,0,0,0,0|0,0,1]=2 337 B12R2.203 O=C1NC=NC2=C1C(=S)SS2 Amb20413877 [0,1,0,0,0,0|2,0,1]=4 338 B12R2.203 O=C1NC=Nc2scc(Br)c21 Amb22727953 [0,1,0,0,0,0|2,0,1]=4 339 B12R2.203 O=C1NCc2ccnc(Cl)c21 Amb18199148 [0,1,0,0,0,0|3,0,0]=4 340 B12R2.203 O=C1NCc2nccc(Br)c21 Amb28138758 [0,1,0,0,0,0|3,0,0]=4 341 B12R2.203 O=C1NCc2ncnc(Cl)c21 Amb27654138 [0,1,0,0,0,0|2,0,0]=3 342 B12R2.203 O=C1NCc2ncnc(O)c21 Amb27200145 [0,1,0,0,0,0|1,0,1]=3 343 B12R2.203 O=C1NNC2=C1C(=S)NC=N2 Amb26602249 [0,1,0,0,0,0|0,1,1]=3 344 B12R2.203 O=C1NNc2cccc(Br)c21 Amb22497381 [0,1,0,0,0,0|3,0,0]=4 345 B12R2.203 O=C1NNc2cccc(Cl)c21 Amb19373186 [0,1,0,0,0,0|3,0,0]=4 346 B12R2.203 S=C1N=CN=C2N=NC(Cl)=C12 Amb27394785 [0,1,0,0,0,0|0,1,2]=4 347 B12R2.246 CC1=NC(=O)C2=CC=NC2=C1 Amb28285429 [0,1,0,0,0,0|2,0,1]=4 348 B12R2.246 CC1=NC(=O)C2=CNNC2=N1 Amb22490754 [0,1,0,0,0,0|0,0,0]=1 349 B12R2.246 CC1=NC(=O)N2C=NNC2=N1 Amb26844370 [0,1,0,0,0,0|1,0,1]=3 350 B12R2.246 CC1=NC(=O)c2ccsc2N1 Amb22388480 [0,1,0,0,0,0|2,0,1]=4 351 B12R2.246 CC1=NC(=S)C2=CN=NC2=N1 Amb28455625 [0,1,0,0,0,0|0,1,2]=4 352 B12R2.246 CC1=NC2=C(CNC2)C(=O)N1 Amb19516817 [0,1,0,0,0,0|1,0,2]=4 353 B12R2.246 CC1=NC2=C(CNC2)C(=O)N1 Amb22899540 [0,1,0,0,0,0|1,0,2]=4 354 B12R2.246 CC1=Nc2occc2C(=O)N1 Amb27646757 [0,1,0,0,0,0|2,0,1]=4 355 B12R2.246 CC1=Nc2oncc2C(=O)N1 Amb18791470 [0,1,0,0,0,0|1,0,2]=4 356 B12R2.246 CC1=Nc2sccc2C(=O)N1 Amb19516704 [0,1,0,0,0,0|2,0,1]=4 357 B12R2.246 CC1=Nc2sccc2C(=O)N1 Amb22492358 [0,1,0,0,0,0|2,0,1]=4 358 B12R2.246 Cc1nc(Br)c2cnoc2n1 Amb18770510 [0,1,0,0,0,0|2,0,1]=4 359 B12R2.246 Cc1nc(Br)c2cnsc2n1 Amb18753132 [0,1,0,0,0,0|2,0,1]=4 360 B12R2.246 Cc1nc(C)c2ccsc2n1 Amb27823679 [0,1,0,0,0,0|3,0,0]=4 361 B12R2.246 Cc1nc(Cl)c2ccoc2n1 Amb26373275 [0,1,0,0,0,0|3,0,0]=4 362 B12R2.246 Cc1nc(Cl)c2ccsc2n1 Amb1150710 [0,1,0,0,0,0|3,0,0]=4 363 B12R2.246 Cc1nc(Cl)c2cnoc2n1 Amb8878130 [0,1,0,0,0,0|2,0,1]=4 364 B12R2.246 Cc1nc(Cl)nc2sccc12 Amb32676110 [0,1,0,0,0,0|3,0,0]=4 365 B12R2.246 Cc1nc(F)c2ccsc2n1 Amb35605188 [0,1,0,0,0,0|3,0,0]=4 366 B12R2.246 Cc1nc(N)c2c(n1)NCC2 Amb18125159 [0,1,0,0,0,0|2,0,1]=4 367 B12R2.246 Cc1nc(N)c2ccoc2n1 Amb18202153 [0,1,0,0,0,0|3,0,0]=4 368 B12R2.246 Cc1nc(N)c2cnoc2n1 Amb18202008 [0,1,0,0,0,0|2,0,1]=4 369 B12R2.246 Cc1nc(N)c2cnsc2n1 Amb18199590 [0,1,0,0,0,0|2,0,1]=4 370 B12R2.246 Cc1nc(O)c2c(n1)CNC2 Amb28652879 [0,1,0,0,0,0|1,0,2]=4 371 B12R2.246 Cc1nc(O)nc2c1CNC2 Amb27397262 [0,1,0,0,0,0|2,0,1]=4 372 B12R2.246 Cc1nc(S)c2cnoc2n1 Amb13881474 [0,1,0,0,0,0|1,1,1]=4 373 B12R2.246 Cc1nc(S)nc2c1CNC2 Amb28349431 [0,1,0,0,0,0|2,0,1]=4 374 B12R2.246 Clc1nc(Cl)c2c(n1)CNC2 Amb19958473 [0,1,0,0,0,0|2,0,1]=4 375 B12R2.246 Clc1nc(Cl)c2c(n1)CNC2 Amb19958656 [0,1,0,0,0,0|2,0,1]=4 376 B12R2.246 Clc1nc(Cl)c2ccoc2n1 Amb22055059 [0,1,0,0,0,0|3,0,0]=4 377 B12R2.246 Clc1nc(Cl)c2ccsc2n1 Amb10067839 [0,1,0,0,0,0|3,0,0]=4 378 B12R2.246 Clc1nc(Cl)c2cscc2n1 Amb25147840 [0,1,0,0,0,0|3,0,0]=4 379 B12R2.246 NC1=CC(=O)N2C=CNC2=N1 Amb19769481 [0,1,0,0,0,0|3,0,0]=4 380 B12R2.246 NC1=NC(=O)C2=NC=NC2=N1 Amb26874999 [0,1,0,0,0,0|2,0,1]=4 381 B12R2.246 NC1=NC(=O)C2=NN=CC2=N1 Amb28365702 [0,1,0,0,0,0|2,0,1]=4 382 B12R2.246 NC1=NC(=O)C2N=NNC2=N1 Amb27265860 [0,1,0,0,0,0|1,0,2]=4 383 B12R2.246 NC1=NC(=O)N2C=CNC2=C1 Amb27969920 [0,1,0,0,0,0|3,0,0]=4 384 B12R2.246 NC1=NC(=O)N2C=CNC2=N1 Amb18125221 [0,1,0,0,0,0|2,0,0]=3 385 B12R2.246 NC1=NC(=O)N2C=NNC2=C1 Amb28141865 [0,1,0,0,0,0|2,0,1]=4 386 B12R2.246 NC1=NC(=O)N=C2NC=CN12 Amb27202072 [0,1,0,0,0,0|3,0,0]=4 387 B12R2.246 NC1=NC2=C(CNC2)C(=O)N1 Amb18201390 [0,1,0,0,0,0|1,0,2]=4 388 B12R2.246 NC1=Nc2occc2C(=O)N1 Amb18201810 [0,1,0,0,0,0|2,0,1]=4 389 B12R2.246 NC1=Nc2oncc2C(=O)N1 Amb18201484 [0,1,0,0,0,0|1,0,2]=4 390 B12R2.246 NC1=Nc2sccc2C(=O)N1 Amb18537423 [0,1,0,0,0,0|2,0,1]=4 391 B12R2.246 Nc1nc(=S)nc2nccc12 Amb16233428 [0,1,0,0,0,0|2,0,1]=4 392 B12R2.246 Nc1nc(Cl)c2c(n1)CNC2 Amb26880369 [0,1,0,0,0,0|2,0,1]=4 393 B12R2.246 Nc1nc(Cl)c2ccoc2n1 Amb28315175 [0,1,0,0,0,0|3,0,0]=4 394 B12R2.246 Nc1nc(Cl)c2ccsc2n1 Amb24386079 [0,1,0,0,0,0|3,0,0]=4 395 B12R2.246 Nc1nc(Cl)c2cnoc2n1 Amb18198749 [0,1,0,0,0,0|2,0,1]=4 396 B12R2.246 Nc1nc(Cl)c2cnsc2n1 Amb27438109 [0,1,0,0,0,0|2,0,1]=4 397 B12R2.246 Nc1nc(Cl)nc2sccc12 Amb17220745 [0,1,0,0,0,0|3,0,0]=4 398 B12R2.246 Nc1nc(N)c2c(n1)NCC2 Amb27634319 [0,1,0,0,0,0|2,0,1]=4 399 B12R2.246 Nc1nc(N)c2ccsc2n1 Amb27596099 [0,1,0,0,0,0|3,0,0]=4 400 B12R2.246 Nc1nc(O)nc2sccc12 Amb24511476 [0,1,0,0,0,0|3,0,0]=4 401 B12R2.246 O=C1C=C(O)N=C2NC=CN12 Amb24736724 [0,1,0,0,0,0|3,0,0]=4 402 B12R2.246 O=C1N=C(Br)N=C2NC=NC12 Amb24484826 [0,1,0,0,0,0|2,0,1]=4 403 B12R2.246 O=C1N=C(Cl)N=C2C=CN=C12 Amb27176778 [0,1,0,0,0,0|3,0,0]=4 404 B12R2.246 O=C1N=C2NNC=C2C(=O)N1 Amb22494134 [0,1,0,0,0,0|0,0,1]=2 405 B12R2.246 O=C1N=C2NNNC2C(=O)N1 Amb22002017 [0,1,0,0,0,0|1,0,2]=4 406 B12R2.246 O=C1NC(Cl)=Nc2sccc21 Amb23412157 [0,1,0,0,0,0|2,0,1]=4 407 B12R2.246 O=C1NC(S)=Nc2sccc21 Amb18028660 [0,1,0,0,0,0|2,0,1]=4 408 B12R2.246 O=c1nc([S-])nc2nncc12 Amb1971544 [0,1,0,0,0,0|0,0,2]=3 409 B12R2.246 Oc1nc(O)c2ccoc2n1 Amb24646235 [0,1,0,0,0,0|2,0,1]=4 410 B12R2.315 COc1ncnc2sccc12 Amb25759486 [0,1,0,0,0,0|2,0,1]=4 411 B12R2.315 CSc1ncnc2sccc12 Amb13954238 [0,1,0,0,0,0|2,1,0]=4 412 B12R2.315 N#Cc1ncnc2c1CCN2 Amb24627363 [0,1,0,0,0,0|2,0,1]=4 413 B12R2.315 NNc1ncnc2sccc12 Amb1153005 [0,1,0,0,0,0|3,0,0]=4 414 B12R2.315 O=Cc1nccc2occc12 Amb18831433 [0,1,0,0,0,0|3,0,0]=4 415 B12R2.315 O=Cc1nccc2sccc12 Amb18199794 [0,1,0,0,0,0|3,0,0]=4 416 B10R1.2 CNC1=C(N)C(=O)NC=N1 Amb22753463 [0,0,1,0,0,0|2,0,1]=4 417 B10R1.2 CNc1ncnc(C)c1Br Amb28346180 [0,0,1,0,0,0|3,0,0]=4 418 B10R1.2 CNc1ncnc(C)c1F Amb27402980 [0,0,1,0,0,0|3,0,0]=4 419 B10R1.2 CNc1ncnc(Cl)c1Br Amb22900053 [0,0,1,0,0,0|3,0,0]=4 420 B10R1.2 CNc1ncnc(Cl)c1C Amb25222523 [0,0,1,0,0,0|2,0,1]=4 421 B10R1.2 CNc1ncnc(Cl)c1Cl Amb28344664 [0,0,1,0,0,0|3,0,0]=4 422 B10R1.2 CNc1ncnc(Cl)c1N Amb844751 [0,0,1,0,0,0|3,0,0]=4 423 B10R1.2 CNc1ncnc(F)c1Br Amb35712608 [0,0,1,0,0,0|3,0,0]=4 424 B10R1.2 CNc1ncnc(F)c1C Amb35675492 [0,0,1,0,0,0|2,0,1]=4 425 B10R1.2 CNc1ncnc(N)c1Br Amb27614962 [0,0,1,0,0,0|3,0,0]=4 426 B10R1.2 CNc1ncnc(N)c1Cl Amb27227580 [0,0,1,0,0,0|3,0,0]=4 427 B10R1.2 CNc1ncnc(S)c1N Amb586257 [0,0,1,0,0,0|2,1,0]=4 428 B10R1.2 Cc1c(Br)ccnc1NN Amb27642978 [0,0,1,0,0,0|2,0,1]=4 429 B10R1.2 Cc1c(F)ncnc1NN Amb35675532 [0,0,1,0,0,0|1,0,1]=3 430 B10R1.2 Cc1c(O)ncnc1CN Amb28318099 [0,0,1,0,0,0|1,0,2]=4 431 B10R1.2 Cc1ccnc(NN)c1Br Amb27803037 [0,0,1,0,0,0|3,0,0]=4 432 B10R1.2 Cc1ncnc(NN)c1Br Amb2609845 [0,0,1,0,0,0|2,0,0]=3 433 B10R1.2 Cc1ncnc(NN)c1C Amb27475806 [0,0,1,0,0,0|1,0,1]=3 434 B10R1.2 Cc1ncnc(NN)c1Cl Amb2610028 [0,0,1,0,0,0|2,0,0]=3 435 B10R1.2 Cc1ncnc(NN)c1F Amb26433045 [0,0,1,0,0,0|2,0,0]=3 436 B10R1.2 Cc1ncnc(NO)c1F Amb27629887 [0,0,1,0,0,0|3,0,0]=4 437 B10R1.2 NNC1=C(Cl)C(=O)NC=N1 Amb27593739 [0,0,1,0,0,0|1,0,1]=3 438 B10R1.2 NNc1nccc(Br)c1I Amb24057197 [0,0,1,0,0,0|3,0,0]=4 439 B10R1.2 NNc1nccc(F)c1F Amb22546972 [0,0,1,0,0,0|3,0,0]=4 440 B10R1.2 NNc1ncnc(Cl)c1N Amb2446475 [0,0,1,0,0,0|2,0,0]=3 441 B10R1.2 NNc1ncnc(N)c1N Amb3065607 [0,0,1,0,0,0|2,0,0]=3 442 B10R1.2 NNc1ncnc(O)c1N Amb3078837 [0,0,1,0,0,0|1,0,1]=3 443 B10R1.4 CNCc1cncnc1C Amb26980689 [0,0,1,0,0,0|2,0,1]=4 444 B10R1.4 CNCc1cncnc1N Amb28126832 [0,0,1,0,0,0|2,0,1]=4 445 B10R1.4 Cc1ccncc1CNN Amb25132682 [0,0,1,0,0,0|2,0,1]=4 446 B10R1.4 Cc1ncccc1CNN Amb24596259 [0,0,1,0,0,0|2,0,1]=4 447 B10R1.4 Cc1ncncc1CCN Amb18832325 [0,0,1,0,0,0|2,0,1]=4 448 B10R1.4 Cc1ncncc1CNN Amb27959644 [0,0,1,0,0,0|1,0,1]=3 449 B10R1.4 Cc1ncncc1CNO Amb33266582 [0,0,1,0,0,0|2,0,1]=4 450 B10R1.4 Cc1ncncc1CON Amb33268118 [0,0,1,0,0,0|2,0,1]=4 451 B10R1.4 NCCc1cncnc1Cl Amb18830516 [0,0,1,0,0,0|2,0,1]=4 452 B10R1.4 NCCc1cncnc1N Amb18832166 [0,0,1,0,0,0|2,0,1]=4 453 B10R1.4 NCCc1cncnc1O Amb18832090 [0,0,1,0,0,0|1,0,2]=4 454 B10R1.4 NNCc1cccnc1Br Amb27758317 [0,0,1,0,0,0|2,0,1]=4 455 B10R1.4 NNCc1cccnc1Cl Amb19664695 [0,0,1,0,0,0|2,0,1]=4 456 B10R1.4 NNCc1cccnc1F Amb25243144 [0,0,1,0,0,0|2,0,1]=4 457 B10R1.4 NNCc1cccnc1N Amb19664694 [0,0,1,0,0,0|2,0,1]=4 458 B10R1.10 CCNC1=CC(=O)NC=N1 Amb23504174 [0,0,1,0,0,0|1,0,2]=4 459 B10R1.10 CCNc1cc(Cl)ncn1 Amb10069163 [0,0,1,0,0,0|2,0,1]=4 460 B10R1.10 CNCc1cc(C)ncn1 Amb18964074 [0,0,1,0,0,0|2,0,1]=4 461 B10R1.10 CNCc1cc(O)ncn1 Amb18223434 [0,0,1,0,0,0|1,0,2]=4 462 B10R1.10 O=CNc1cc(O)ncn1 Amb27392682 [0,0,1,0,0,0|2,0,1]=4 463 B10R1.149 COC(=O)C1=CNNC1=O Amb27834175 [0,0,1,0,0,0|2,0,1]=4 464 B10R1.245 C=Cc1c(C)ccnc1N Amb25260468 [0,0,1,0,0,0|3,0,0]=4 465 B10R1.245 C=Cc1c(Cl)ccnc1N Amb25842530 [0,0,1,0,0,0|3,0,0]=4 466 B10R1.245 C=Cc1c(Cl)ncnc1Cl Amb33262465 [0,0,1,0,0,0|3,0,0]=4 467 B10R1.245 C=Cc1c(N)ccnc1C Amb27398280 [0,0,1,0,0,0|3,0,0]=4 468 B10R1.245 C=Cc1c(N)ccnc1Cl Amb27764087 [0,0,1,0,0,0|3,0,0]=4 469 B10R1.245 C=Cc1c(N)ccnc1N Amb28341915 [0,0,1,0,0,0|3,0,0]=4 470 B10R1.245 C=Cc1c(N)ccnc1O Amb27952936 [0,0,1,0,0,0|2,0,1]=4 471 B10R1.245 C=Cc1c(O)ccnc1N Amb25797699 [0,0,1,0,0,0|2,0,1]=4 472 B10R1.245 CC1=C(CN)C(=O)NC=N1 Amb25909722 [0,0,1,0,0,0|1,0,2]=4 473 B10R1.245 CCC1=C(N)N=CNC1=O Amb26617427 [0,0,1,0,0,0|1,0,2]=4 474 B10R1.245 CCc1c(N)ncnc1N Amb27469341 [0,0,1,0,0,0|2,0,1]=4 475 B10R1.245 CNc1c(N)ncnc1Cl Amb23589353 [0,0,1,0,0,0|3,0,0]=4 476 B10R1.245 COc1c(C)ncnc1N Amb24071535 [0,0,1,0,0,0|3,0,0]=4 477 B10R1.245 COc1c(N)ncnc1Cl Amb32663638 [0,0,1,0,0,0|3,0,0]=4 478 B10R1.245 COc1c(N)ncnc1Cl Amb8386964 [0,0,1,0,0,0|3,0,0]=4 479 B10R1.245 Cc1ccnc(N)c1C=O Amb22494692 [0,0,1,0,0,0|3,0,0]=4 480 B10R1.245 Cc1ccnc(N)c1CN Amb26968600 [0,0,1,0,0,0|2,0,1]=4 481 B10R1.245 Cc1nccc(N)c1C=O Amb23401952 [0,0,1,0,0,0|3,0,0]=4 482 B10R1.245 Cc1ncnc(C)c1C=O Amb18832467 [0,0,1,0,0,0|3,0,0]=4 483 B10R1.245 Cc1ncnc(C)c1CN Amb8009749 [0,0,1,0,0,0|2,0,1]=4 484 B10R1.245 Cc1ncnc(Cl)c1C=O Amb27163268 [0,0,1,0,0,0|3,0,0]=4 485 B10R1.245 Cc1ncnc(N)c1C#N Amb4451342 [0,0,1,0,0,0|1,0,2]=4 486 B10R1.245 Cc1ncnc(N)c1CN Amb22749345 [0,0,1,0,0,0|1,0,1]=3 487 B10R1.245 N#Cc1c(N)ncnc1Cl Amb5385121 [0,0,1,0,0,0|1,0,2]=4 488 B10R1.245 N#Cc1c(N)ncnc1N Amb5383913 [0,0,1,0,0,0|1,0,2]=4 489 B10R1.245 NC1=C(C=O)C(=O)NC=N1 Amb24115839 [0,0,1,0,0,0|1,0,1]=3 490 B10R1.245 NC1=C(C=O)C(=S)NC=N1 Amb24637499 [0,0,1,0,0,0|1,1,1]=4 491 B10R1.245 NC1=C(N=O)C(=O)N=CN1 Amb28077101 [0,0,1,0,0,0|2,0,1]=4 492 B10R1.245 NCc1c(Cl)ncnc1Cl Amb25335502 [0,0,1,0,0,0|2,0,1]=4 493 B10R1.245 NNc1c(Cl)ncnc1Cl Amb33262606 [0,0,1,0,0,0|3,0,0]=4 494 B10R1.245 Nc1ccnc(Br)c1C=O Amb23401951 [0,0,1,0,0,0|3,0,0]=4 495 B10R1.245 Nc1ccnc(Cl)c1C=O Amb16233307 [0,0,1,0,0,0|3,0,0]=4 496 B10R1.245 Nc1ccnc(F)c1C=O Amb23401947 [0,0,1,0,0,0|3,0,0]=4 497 B10R1.245 Nc1ccnc(N)c1C=O Amb27830620 [0,0,1,0,0,0|3,0,0]=4 498 B10R1.245 Nc1nccc(Cl)c1C=O Amb22497690 [0,0,1,0,0,0|3,0,0]=4 499 B10R1.245 Nc1nccc(F)c1C=O Amb26895050 [0,0,1,0,0,0|3,0,0]=4 500 B10R1.245 Nc1nccc(F)c1C=O Amb35750127 [0,0,1,0,0,0|3,0,0]=4 501 B10R1.245 Nc1nccc(O)c1C=O Amb27945509 [0,0,1,0,0,0|2,0,1]=4 502 B10R1.245 Nc1ncnc(Cl)c1C=O Amb2417031 [0,0,1,0,0,0|2,0,0]=3 503 B10R1.245 Nc1ncnc(Cl)c1CO Amb22492867 [0,0,1,0,0,0|2,0,1]=4 504 B10R1.245 Nc1ncnc(N)c1N=O Amb4004872 [0,0,1,0,0,0|3,0,0]=4 505 B10R1.245 O=C1N=CNC(=O)\C1=C/O Amb24745667 [0,0,1,0,0,0|2,0,1]=4 506 B10R1.245 O=Cc1c(Br)ncnc1Br Amb26887332 [0,0,1,0,0,0|3,0,0]=4 507 B10R1.245 O=Cc1c(Cl)ncnc1Cl Amb2608525 [0,0,1,0,0,0|3,0,0]=4 508 B10R1.245 O=Cc1c(O)ncnc1O Amb2793988 [0,0,1,0,0,0|2,0,1]=4 509 B10R2.32 NC1=NN=C2N=NC=C12 Amb27261435 [0,0,0,0,1,0|1,0,2]=4 510 B10R2.32 Nc1nnc2nncc12 Amb10602208 [0,0,0,0,1,0|1,0,2]=4 511 B10R2.68 O=C1NC=NC2=C1CC2 Amb27411890 [0,0,0,0,1,0|1,0,2]=4 512 B12R2.1081 Brc1ncnc2c1CCCN2 Amb18169174 [0,0,0,0,0,1|2,0,1]=4 513 B12R2.1081 Brc1ncnc2ccccc12 Amb10602647 [0,0,0,0,0,1|3,0,0]=4 514 B12R2.1081 Brc1ncnc2cccnc12 Amb27172123 [0,0,0,0,0,1|3,0,0]=4 515 B12R2.1081 Brc1ncnc2nccnc12 Amb18773211 [0,0,0,0,0,1|2,0,1]=4 516 B12R2.1081 Cc1ncnc2c1CCNC2 Amb19958482 [0,0,0,0,0,1|2,0,1]=4 517 B12R2.1081 Cc1ncnc2c1CCNC2 Amb27244733 [0,0,0,0,0,1|2,0,1]=4 518 B12R2.1081 Cc1ncnc2c1CNCC2 Amb19958486 [0,0,0,0,0,1|2,0,1]=4 519 B12R2.1081 Cc1ncnc2c1CNCC2 Amb22002332 [0,0,0,0,0,1|2,0,1]=4 520 B12R2.1081 Cc1ncnc2c1CNCC2 Amb33804828 [0,0,0,0,0,1|2,0,1]=4 521 B12R2.1081 Cc1ncnc2c1NCCN2 Amb27390031 [0,0,0,0,0,1|2,0,1]=4 522 B12R2.1081 Cc1ncnc2ccccc12 Amb10573340 [0,0,0,0,0,1|3,0,0]=4 523 B12R2.1081 Cc1ncnc2nccnc12 Amb28382242 [0,0,0,0,0,1|2,0,1]=4 524 B12R2.1081 Clc1ncnc2c1CCCN2 Amb18198952 [0,0,0,0,0,1|2,0,1]=4 525 B12R2.1081 Clc1ncnc2c1CCNC2 Amb20241718 [0,0,0,0,0,1|2,0,1]=4 526 B12R2.1081 Clc1ncnc2c1CCNC2 Amb31378653 [0,0,0,0,0,1|2,0,1]=4 527 B12R2.1081 Clc1ncnc2c1CNCC2 Amb10067758 [0,0,0,0,0,1|2,0,1]=4 528 B12R2.1081 Clc1ncnc2c1NCCN2 Amb25891452 [0,0,0,0,0,1|2,0,1]=4 529 B12R2.1081 Clc1ncnc2ccccc12 Amb1107717 [0,0,0,0,0,1|3,0,0]=4 530 B12R2.1081 Clc1ncnc2cccnc12 Amb10602710 [0,0,0,0,0,1|3,0,0]=4 531 B12R2.1081 Clc1ncnc2cccnc12 Amb30639831 [0,0,0,0,0,1|3,0,0]=4 532 B12R2.1081 Clc1ncnc2ccncc12 Amb10602712 [0,0,0,0,0,1|2,0,1]=4 533 B12R2.1081 Clc1ncnc2cnccc12 Amb10602711 [0,0,0,0,0,1|2,0,1]=4 534 B12R2.1081 Clc1ncnc2cnccc12 Amb22492465 [0,0,0,0,0,1|2,0,1]=4 535 B12R2.1081 Clc1ncnc2cncnc12 Amb22495954 [0,0,0,0,0,1|2,0,1]=4 536 B12R2.1081 Clc1ncnc2ncccc12 Amb2372559 [0,0,0,0,0,1|2,0,1]=4 537 B12R2.1081 Clc1ncnc2nccnc12 Amb3319356 [0,0,0,0,0,1|2,0,1]=4 538 B12R2.1081 Fc1ncnc2ccccc12 Amb20669977 [0,0,0,0,0,1|3,0,0]=4 539 B12R2.1081 Ic1ncnc2ccccc12 Amb2795821 [0,0,0,0,0,1|3,0,0]=4 540 B12R2.1081 Nc1cccc2c1C=CNN2 Amb27212993 [0,0,0,0,0,1|3,0,0]=4 541 B12R2.1081 Nc1ncnc2c1CCCN2 Amb18644423 [0,0,0,0,0,1|2,0,1]=4 542 B12R2.1081 Nc1ncnc2c1NCCN2 Amb25764470 [0,0,0,0,0,1|2,0,1]=4 543 B12R2.1081 Nc1ncnc2ccccc12 Amb1154616 [0,0,0,0,0,1|3,0,0]=4 544 B12R2.1081 Nc1ncnc2cccnc12 Amb24351649 [0,0,0,0,0,1|3,0,0]=4 545 B12R2.1081 Nc1ncnc2ccncc12 Amb18831454 [0,0,0,0,0,1|2,0,1]=4 546 B12R2.1081 Nc1ncnc2ncccc12 Amb18124777 [0,0,0,0,0,1|2,0,1]=4 547 B12R2.1081 Nc1ncnc2nccnc12 Amb3319361 [0,0,0,0,0,1|2,0,1]=4 548 B12R2.1081 Nc1ncnc2ncncc12 Amb8630668 [0,0,0,0,0,1|1,0,2]=4 549 B12R2.1081 O=C1C=CCC2=CNCC=C12 Amb28055909 [0,0,0,0,0,1|3,0,0]=4 550 B12R2.1081 O=C1CC=Nc2ccccc21 Amb24062843 [0,0,0,0,0,1|3,0,0]=4 551 B12R2.1081 O=C1N=CN=C2C=CC=CN12 Amb27843723 [0,0,0,0,0,1|3,0,0]=4 552 B12R2.1081 O=C1N=CN=C2CCNCC12 Amb22001396 [0,0,0,0,0,1|1,0,2]=4 553 B12R2.1081 O=C1N=CN=C2CNCCC12 Amb19516049 [0,0,0,0,0,1|1,0,2]=4 554 B12R2.1081 O=C1N=CN=C2CNCCC12 Amb22490903 [0,0,0,0,0,1|1,0,2]=4 555 B12R2.1081 O=C1N=CNC2=C1N=CCN2 Amb26005213 [0,0,0,0,0,1|1,0,1]=3 556 B12R2.1081 O=C1N=CNc2ncccc21 Amb19957598 [0,0,0,0,0,1|1,0,2]=4 557 B12R2.1081 O=C1N=NC=C2NC=CC=C12 Amb19515546 [0,0,0,0,0,1|3,0,0]=4 558 B12R2.1081 O=C1NC=NC2=C1CC=CC2 Amb26330823 [0,0,0,0,0,1|2,0,1]=4 559 B12R2.1081 O=C1NC=NC2=C1CC=NN2 Amb27254310 [0,0,0,0,0,1|0,0,2]=3 560 B12R2.1081 O=C1NC=NC2=C1CCCN2 Amb18201692 [0,0,0,0,0,1|1,0,2]=4 561 B12R2.1081 O=C1NC=NC2=C1CCNC2 Amb19958468 [0,0,0,0,0,1|1,0,2]=4 562 B12R2.1081 O=C1NC=NC2=C1CCNC2 Amb22490902 [0,0,0,0,0,1|1,0,2]=4 563 B12R2.1081 O=C1NC=NC2=C1CCNC2 Amb33473128 [0,0,0,0,0,1|1,0,2]=4 564 B12R2.1081 O=C1NC=NC2=C1CNCC2 Amb19375085 [0,0,0,0,0,1|1,0,2]=4 565 B12R2.1081 O=C1NC=NC2=C1CNCC2 Amb19958886 [0,0,0,0,0,1|1,0,2]=4 566 B12R2.1081 O=C1NC=NC2=C1CNCC2 Amb29083227 [0,0,0,0,0,1|1,0,2]=4 567 B12R2.1081 O=C1NC=Nc2ccccc21 Amb18012662 [0,0,0,0,0,1|2,0,1]=4 568 B12R2.1081 O=C1NC=Nc2ccncc21 Amb22001741 [0,0,0,0,0,1|1,0,2]=4 569 B12R2.1081 O=C1NC=Nc2cnccc21 Amb19957554 [0,0,0,0,0,1|1,0,2]=4 570 B12R2.1081 O=C1NC=Nc2cnncc21 Amb27760126 [0,0,0,0,0,1|0,0,3]=4 571 B12R2.1081 O=C1NC=Nc2ncccc21 Amb18026152 [0,0,0,0,0,1|1,0,2]=4 572 B12R2.1081 O=C1NC=Nc2nccnc21 Amb19372625 [0,0,0,0,0,1|1,0,2]=4 573 B12R2.1081 O=C1NC=Nc2ncncc21 Amb22496184 [0,0,0,0,0,1|0,0,3]=4 574 B12R2.1081 O=C1NC=Nc2nnccc21 Amb22388525 [0,0,0,0,0,1|0,0,3]=4 575 B12R2.1081 O=C1NC=Nc2nncnc21 Amb27617268 [0,0,0,0,0,1|0,0,3]=4 576 B12R2.1081 O=C1OC=Nc2ccccc21 Amb26019177 [0,0,0,0,0,1|3,0,0]=4 577 B12R2.1081 Oc1ncnc2ccccc12 Amb6335374 [0,0,0,0,0,1|2,0,1]=4 578 B12R2.1081 Oc1ncnc2cccnc12 Amb22727893 [0,0,0,0,0,1|2,0,1]=4 579 B12R2.1081 Oc1ncnc2cnccc12 Amb22274464 [0,0,0,0,0,1|1,0,2]=4 580 B12R2.1081 Oc1ncnc2nnccc12 Amb533669 [0,0,0,0,0,1|0,0,3]=4 581 B12R2.1081 Sc1ncnc2ccccc12 Amb1104189 [0,0,0,0,0,1|2,1,0]=4 582 B12R2.1081 Sc1ncnc2ccncc12 Amb24598241 [0,0,0,0,0,1|1,1,1]=4 583 B12R2.1081 Sc1ncnc2cnccc12 Amb24595927 [0,0,0,0,0,1|1,1,1]=4 584 B12R2.1081 Sc1ncnc2ncccc12 Amb25201398 [0,0,0,0,0,1|1,1,1]=4 585 B12R2.1081 Sc1ncnc2ncncc12 Amb20644854 [0,0,0,0,0,1|0,1,2]=4 586 B9R1.2 CNc1cc(Br)ncn1 Amb24478643 [1,0,1,0,0,0|1,0,1]=4 587 B9R1.2 CNc1cc(C)ncn1 Amb18278561 [1,0,1,0,0,0|1,0,1]=4 588 B9R1.2 CNc1cc(Cl)ncn1 Amb8439526 [1,0,1,0,0,0|1,0,1]=4 589 B9R1.2 CNc1cc(N)ncn1 Amb33536636 [1,0,1,0,0,0|1,0,1]=4 590 B9R1.2 CNc1cc(O)ncn1 Amb22000953 [1,0,1,0,0,0|0,0,2]=4 591 B9R1.2 Cc1cc(CN)ncn1 Amb17072861 [1,0,1,0,0,0|2,0,0]=4 592 B9R1.2 Cc1cc(CN)ncn1 Amb30982608 [1,0,1,0,0,0|2,0,0]=4 593 B9R1.2 Cc1cc(NN)ccn1 Amb10607839 [1,0,1,0,0,0|2,0,0]=4 594 B9R1.2 Cc1cc(NN)ccn1 Amb19890131 [1,0,1,0,0,0|2,0,0]=4 595 B9R1.2 Cc1cc(NN)ccn1 Amb22490766 [1,0,1,0,0,0|2,0,0]=4 596 B9R1.2 Cc1cc(NN)ncn1 Amb17516333 [1,0,1,0,0,0|1,0,0]=3 597 B9R1.2 Cc1cc(NO)ncn1 Amb27394979 [1,0,1,0,0,0|2,0,0]=4 598 B9R1.2 Cc1ccnc(NN)c1 Amb22587604 [1,0,1,0,0,0|2,0,0]=4 599 B9R1.2 Cc1ccnc(NN)c1 Amb5730482 [1,0,1,0,0,0|2,0,0]=4 600 B9R1.2 NCC1=CC(=O)N=CN1 Amb21960707 [1,0,1,0,0,0|1,0,1]=4 601 B9R1.2 NCC1=CC(=O)NC=N1 Amb18203323 [1,0,1,0,0,0|1,0,1]=4 602 B9R1.2 NCc1cc(N)ncn1 Amb21960760 [1,0,1,0,0,0|2,0,0]=4 603 B9R1.2 NCc1cc(N)ncn1 Amb24183939 [1,0,1,0,0,0|2,0,0]=4 604 B9R1.2 NCc1cc(N)ncn1 Amb28989442 [1,0,1,0,0,0|2,0,0]=4 605 B9R1.2 NCc1cc(O)ncn1 Amb10608377 [1,0,1,0,0,0|1,0,1]=4 606 B9R1.2 NCc1cc(O)ncn1 Amb17622204 [1,0,1,0,0,0|1,0,1]=4 607 B9R1.2 NNC1=CC(=O)NC=C1 Amb18642286 [1,0,1,0,0,0|1,0,1]=4 608 B9R1.2 NNC1=CC(=O)NC=N1 Amb18642384 [1,0,1,0,0,0|0,0,1]=3 609 B9R1.2 NNc1cc(Br)ccn1 Amb21857058 [1,0,1,0,0,0|2,0,0]=4 610 B9R1.2 NNc1cc(Br)ncn1 Amb27812634 [1,0,1,0,0,0|1,0,0]=3 611 B9R1.2 NNc1cc(Cl)ccn1 Amb22002288 [1,0,1,0,0,0|2,0,0]=4 612 B9R1.2 NNc1cc(Cl)ncn1 Amb22432567 [1,0,1,0,0,0|1,0,0]=3 613 B9R1.2 NNc1cc(Cl)ncn1 Amb495520 [1,0,1,0,0,0|1,0,0]=3 614 B9R1.2 NNc1cc(F)ccn1 Amb35788823 [1,0,1,0,0,0|2,0,0]=4 615 B9R1.2 NNc1cc(I)ccn1 Amb22886987 [1,0,1,0,0,0|2,0,0]=4 616 B9R1.2 NNc1cc(O)ncn1 Amb2591558 [1,0,1,0,0,0|0,0,1]=3 617 B9R1.2 NNc1ccnc(Br)c1 Amb8438921 [1,0,1,0,0,0|2,0,0]=4 618 B9R1.2 NNc1ccnc(Cl)c1 Amb19895220 [1,0,1,0,0,0|2,0,0]=4 619 B9R1.2 NNc1ccnc(Cl)c1 Amb32666794 [1,0,1,0,0,0|2,0,0]=4 620 B9R1.2 NNc1ccnc(F)c1 Amb8388365 [1,0,1,0,0,0|2,0,0]=4 621 B9R1.2 NNc1ncnc(N)n1 Amb7093941 [1,0,1,0,0,0|2,0,0]=4 622 B9R1.3 CC1=C(N)C(=O)NC=N1 Amb18642294 [1,0,1,0,0,0|1,0,1]=4 623 B9R1.3 CN1C(=O)N=CN=C1N Amb27221071 [1,0,1,0,0,0|1,0,1]=4 624 B9R1.3 Cc1c(N)ncnc1Cl Amb8631394 [1,0,1,0,0,0|1,0,1]=4 625 B9R1.3 Cc1c(N)ncnc1F Amb10602599 [1,0,1,0,0,0|1,0,1]=4 626 B9R1.3 Cc1c(N)ncnc1N Amb24100905 [1,0,1,0,0,0|1,0,1]=4 627 B9R1.3 Cc1c(N)ncnc1O Amb6479179 [1,0,1,0,0,0|0,0,2]=4 628 B9R1.3 Cc1ccnc(N)c1N Amb4037947 [1,0,1,0,0,0|2,0,0]=4 629 B9R1.3 Cc1nccc(N)c1N Amb10602120 [1,0,1,0,0,0|2,0,0]=4 630 B9R1.3 Cc1ncnc(C)c1N Amb16233717 [1,0,1,0,0,0|2,0,0]=4 631 B9R1.3 Cc1ncnc(Cl)c1N Amb24091397 [1,0,1,0,0,0|2,0,0]=4 632 B9R1.3 Cc1ncnc(N)c1Br Amb1788896 [1,0,1,0,0,0|2,0,0]=4 633 B9R1.3 Cc1ncnc(N)c1C Amb15701371 [1,0,1,0,0,0|1,0,1]=4 634 B9R1.3 Cc1ncnc(N)c1Cl Amb9768265 [1,0,1,0,0,0|2,0,0]=4 635 B9R1.3 Cc1ncnc(N)c1I Amb2611742 [1,0,1,0,0,0|2,0,0]=4 636 B9R1.3 Cc1ncnc(N)c1N Amb17612440 [1,0,1,0,0,0|1,0,0]=3 637 B9R1.3 NC1=C(Br)C(=O)NC=N1 Amb22491948 [1,0,1,0,0,0|1,0,1]=4 638 B9R1.3 NC1=C(Cl)C(=O)NC=N1 Amb26629211 [1,0,1,0,0,0|1,0,1]=4 639 B9R1.3 NC1=C(Cl)NC=NC1=O Amb22263265 [1,0,1,0,0,0|1,0,1]=4 640 B9R1.3 NC1=C(N)C(=O)N=CN1 Amb19131730 [1,0,1,0,0,0|0,0,1]=3 641 B9R1.3 NC1=C(N)C(=O)NC=N1 Amb22497614 [1,0,1,0,0,0|0,0,1]=3 642 B9R1.3 NC1=C(N)C(=O)OC=C1 Amb18832780 [1,0,1,0,0,0|2,0,0]=4 643 B9R1.3 NC1=C(N)C(=S)NC=N1 Amb19894891 [1,0,1,0,0,0|0,1,1]=4 644 B9R1.3 NC1=C(O)C(=O)N=CN1 Amb26450548 [1,0,1,0,0,0|1,0,1]=4 645 B9R1.3 NC1=NC=CC(=O)N1N Amb22750523 [1,0,1,0,0,0|2,0,0]=4 646 B9R1.3 Nc1c(Cl)ncnc1Cl Amb6335237 [1,0,1,0,0,0|2,0,0]=4 647 B9R1.3 Nc1c(F)ncnc1Cl Amb33035378 [1,0,1,0,0,0|2,0,0]=4 648 B9R1.3 Nc1c(F)ncnc1F Amb26948494 [1,0,1,0,0,0|2,0,0]=4 649 B9R1.3 Nc1c(F)ncnc1S Amb35605497 [1,0,1,0,0,0|1,1,0]=4 650 B9R1.3 Nc1c(O)ncnc1Br Amb18189496 [1,0,1,0,0,0|1,0,1]=4 651 B9R1.3 Nc1c(O)ncnc1F Amb33035427 [1,0,1,0,0,0|1,0,1]=4 652 B9R1.3 Nc1c(S)ncnc1Cl Amb18943782 [1,0,1,0,0,0|1,1,0]=4 653 B9R1.3 Nc1c(S)ncnc1S Amb17593988 [1,0,1,0,0,0|1,1,0]=4 654 B9R1.3 Nc1ccnc(Br)c1N Amb21927784 [1,0,1,0,0,0|2,0,0]=4 655 B9R1.3 Nc1ccnc(Cl)c1N Amb2611287 [1,0,1,0,0,0|2,0,0]=4 656 B9R1.3 Nc1ccnc(F)c1N Amb18642490 [1,0,1,0,0,0|2,0,0]=4 657 B9R1.3 Nc1ccnc(N)c1N Amb21858218 [1,0,1,0,0,0|2,0,0]=4 658 B9R1.3 Nc1ccnc(O)c1N Amb20620899 [1,0,1,0,0,0|1,0,1]=4 659 B9R1.3 Nc1nccc(Br)c1N Amb21964498 [1,0,1,0,0,0|2,0,0]=4 660 B9R1.3 Nc1nccc(Cl)c1N Amb10603777 [1,0,1,0,0,0|2,0,0]=4 661 B9R1.3 Nc1nccc(F)c1N Amb27634215 [1,0,1,0,0,0|2,0,0]=4 662 B9R1.3 Nc1nccc(O)c1N Amb25340429 [1,0,1,0,0,0|1,0,1]=4 663 B9R1.3 Nc1ncnc(Br)c1Br Amb24323031 [1,0,1,0,0,0|2,0,0]=4 664 B9R1.3 Nc1ncnc(Br)c1F Amb26656760 [1,0,1,0,0,0|2,0,0]=4 665 B9R1.3 Nc1ncnc(Cl)c1Br Amb19957576 [1,0,1,0,0,0|2,0,0]=4 666 B9R1.3 Nc1ncnc(Cl)c1Cl Amb6479178 [1,0,1,0,0,0|2,0,0]=4 667 B9R1.3 Nc1ncnc(Cl)c1F Amb19958232 [1,0,1,0,0,0|2,0,0]=4 668 B9R1.3 Nc1ncnc(Cl)c1I Amb22371547 [1,0,1,0,0,0|2,0,0]=4 669 B9R1.3 Nc1ncnc(Cl)c1N Amb844739 [1,0,1,0,0,0|1,0,0]=3 670 B9R1.3 Nc1ncnc(Cl)c1O Amb18644202 [1,0,1,0,0,0|2,0,0]=4 671 B9R1.3 Nc1ncnc(F)c1Br Amb35712607 [1,0,1,0,0,0|2,0,0]=4 672 B9R1.3 Nc1ncnc(I)c1Br Amb23437058 [1,0,1,0,0,0|2,0,0]=4 673 B9R1.3 Nc1ncnc(I)c1N Amb32456087 [1,0,1,0,0,0|1,0,0]=3 674 B9R1.3 Nc1ncnc(N)c1Br Amb18129467 [1,0,1,0,0,0|2,0,0]=4 675 B9R1.3 Nc1ncnc(N)c1I Amb22169585 [1,0,1,0,0,0|2,0,0]=4 676 B9R1.3 Nc1ncnc(N)c1N Amb2704284 [1,0,1,0,0,0|1,0,0]=3 677 B9R1.3 Nc1ncnc(N)c1N Amb8513359 [1,0,1,0,0,0|1,0,0]=3 678 B9R1.3 Nc1ncnc(N)c1N Amb8629341 [1,0,1,0,0,0|1,0,0]=3 679 B9R1.3 Nc1ncnc(N)c1O Amb18642378 [1,0,1,0,0,0|2,0,0]=4 680 B9R1.3 Nc1ncnc(N)c1S Amb18643877 [1,0,1,0,0,0|2,0,0]=4 681 B9R1.3 Nc1ncnc(O)c1I Amb22492010 [1,0,1,0,0,0|1,0,1]=4 682 B9R1.3 Nc1ncnc(O)c1N Amb596470 [1,0,1,0,0,0|0,0,1]=3 683 B9R1.3 Nc1ncnc(O)c1N Amb9809939 [1,0,1,0,0,0|0,0,1]=3 684 B9R1.15 C#Cc1cncnc1N Amb27229025 [1,0,1,0,0,0|1,0,1]=4 685 B9R1.15 C=Cc1cccnc1N Amb25831150 [1,0,1,0,0,0|2,0,0]=4 686 B9R1.15 C=Cc1cncnc1C Amb33267998 [1,0,1,0,0,0|2,0,0]=4 687 B9R1.15 CNc1ncncc1Br Amb19957799 [1,0,1,0,0,0|2,0,0]=4 688 B9R1.15 CNc1ncncc1C Amb24699412 [1,0,1,0,0,0|1,0,1]=4 689 B9R1.15 CNc1ncncc1Cl Amb27643830 [1,0,1,0,0,0|2,0,0]=4 690 B9R1.15 CNc1ncncc1F Amb22301264 [1,0,1,0,0,0|2,0,0]=4 691 B9R1.15 CNc1ncncc1I Amb33549057 [1,0,1,0,0,0|2,0,0]=4 692 B9R1.15 CNc1ncncc1N Amb18642208 [1,0,1,0,0,0|2,0,0]=4 693 B9R1.15 CNc1ncncc1O Amb23598450 [1,0,1,0,0,0|2,0,0]=4 694 B9R1.15 COc1cncnc1N Amb17933833 [1,0,1,0,0,0|2,0,0]=4 695 B9R1.15 Cc1cccnc1NN Amb5730481 [1,0,1,0,0,0|1,0,1]=4 696 B9R1.15 Cc1ccncc1NN Amb10603705 [1,0,1,0,0,0|2,0,0]=4 697 B9R1.15 Cc1cnccc1NN Amb10607653 [1,0,1,0,0,0|1,0,1]=4 698 B9R1.15 Cc1cnccc1NN Amb19890099 [1,0,1,0,0,0|1,0,1]=4 699 B9R1.15 Cc1cncnc1NN Amb18642209 [1,0,1,0,0,0|0,0,1]=3 700 B9R1.15 Cc1ncccc1NN Amb22001559 [1,0,1,0,0,0|2,0,0]=4 701 B9R1.15 Cc1ncccc1NN Amb30640044 [1,0,1,0,0,0|2,0,0]=4 702 B9R1.15 Cc1ncncc1C=O Amb8010973 [1,0,1,0,0,0|2,0,0]=4 703 B9R1.15 Cc1ncncc1CN Amb18203338 [1,0,1,0,0,0|1,0,1]=4 704 B9R1.15 Cc1ncncc1NN Amb32876665 [1,0,1,0,0,0|1,0,0]=3 705 B9R1.15 N#Cc1cncnc1N Amb2609921 [1,0,1,0,0,0|0,0,2]=4 706 B9R1.15 NCC1=CN=CNC1=O Amb18251092 [1,0,1,0,0,0|0,0,2]=4 707 B9R1.15 NCc1cccnc1N Amb15701368 [1,0,1,0,0,0|1,0,1]=4 708 B9R1.15 NCc1cnccc1N Amb33552971 [1,0,1,0,0,0|1,0,1]=4 709 B9R1.15 NCc1cncnc1Cl Amb27495647 [1,0,1,0,0,0|1,0,1]=4 710 B9R1.15 NCc1cncnc1N Amb18832896 [1,0,1,0,0,0|0,0,1]=3 711 B9R1.15 NCc1cncnc1N Amb20668237 [1,0,1,0,0,0|0,0,1]=3 712 B9R1.15 NCc1ncncc1Br Amb18523223 [1,0,1,0,0,0|2,0,0]=4 713 B9R1.15 NCc1ncncc1O Amb27256926 [1,0,1,0,0,0|2,0,0]=4 714 B9R1.15 NNc1cccnc1Br Amb23454429 [1,0,1,0,0,0|2,0,0]=4 715 B9R1.15 NNc1cccnc1Cl Amb18644047 [1,0,1,0,0,0|2,0,0]=4 716 B9R1.15 NNc1cccnc1F Amb23454424 [1,0,1,0,0,0|2,0,0]=4 717 B9R1.15 NNc1cccnc1F Amb35788384 [1,0,1,0,0,0|2,0,0]=4 718 B9R1.15 NNc1ccncc1Br Amb22458356 [1,0,1,0,0,0|2,0,0]=4 719 B9R1.15 NNc1ccncc1Cl Amb20667651 [1,0,1,0,0,0|2,0,0]=4 720 B9R1.15 NNc1ccncc1F Amb24102165 [1,0,1,0,0,0|2,0,0]=4 721 B9R1.15 NNc1ccncc1F Amb32666834 [1,0,1,0,0,0|2,0,0]=4 722 B9R1.15 NNc1cnccc1Br Amb23559469 [1,0,1,0,0,0|2,0,0]=4 723 B9R1.15 NNc1cnccc1Cl Amb23557907 [1,0,1,0,0,0|2,0,0]=4 724 B9R1.15 NNc1cnccc1N Amb27413166 [1,0,1,0,0,0|2,0,0]=4 725 B9R1.15 NNc1ncccc1Br Amb19046890 [1,0,1,0,0,0|2,0,0]=4 726 B9R1.15 NNc1ncccc1Cl Amb1120542 [1,0,1,0,0,0|2,0,0]=4 727 B9R1.15 NNc1ncccc1Cl Amb22500210 [1,0,1,0,0,0|2,0,0]=4 728 B9R1.15 NNc1ncccc1F Amb10839016 [1,0,1,0,0,0|2,0,0]=4 729 B9R1.15 NNc1ncccc1I Amb23401082 [1,0,1,0,0,0|2,0,0]=4 730 B9R1.15 NNc1ncccc1N Amb18642207 [1,0,1,0,0,0|2,0,0]=4 731 B9R1.15 NNc1ncccc1S Amb27972023 [1,0,1,0,0,0|2,0,0]=4 732 B9R1.15 NNc1ncncc1Cl Amb2610056 [1,0,1,0,0,0|1,0,0]=3 733 B9R1.15 NNc1ncncc1F Amb24528074 [1,0,1,0,0,0|1,0,0]=3 734 B9R1.15 N\C=C1\C=CC=NC1=O Amb24710475 [1,0,1,0,0,0|1,0,0]=3 735 B9R1.15 Nc1ccncc1C=O Amb1094063 [1,0,1,0,0,0|2,0,0]=4 736 B9R1.15 Nc1ccncc1C=O Amb19929570 [1,0,1,0,0,0|2,0,0]=4 737 B9R1.15 Nc1ccncc1C=O Amb33622703 [1,0,1,0,0,0|2,0,0]=4 738 B9R1.15 Nc1ccncc1C=O Amb33869903 [1,0,1,0,0,0|2,0,0]=4 739 B9R1.15 Nc1ncccc1C=O Amb1090876 [1,0,1,0,0,0|2,0,0]=4 740 B9R1.15 Nc1ncncc1C=O Amb8630111 [1,0,1,0,0,0|1,0,0]=3 741 B9R1.15 Nc1ncncc1CO Amb20668186 [1,0,1,0,0,0|1,0,1]=4 742 B9R1.15 Nc1ncncc1N=O Amb27267040 [1,0,1,0,0,0|2,0,0]=4 743 B9R1.15 O=CC1C=NC=NC1=O Amb18832927 [1,0,1,0,0,0|1,0,1]=4 744 B9R1.15 O=Cc1cncnc1Br Amb27872455 [1,0,1,0,0,0|2,0,0]=4 745 B9R1.15 O=Cc1cncnc1Cl Amb18202502 [1,0,1,0,0,0|2,0,0]=4 746 B9R1.15 ONc1ncncc1Cl Amb27835282 [1,0,1,0,0,0|2,0,0]=4 747 B9R1.15 ONc1ncncc1I Amb27397452 [1,0,1,0,0,0|2,0,0]=4 748 B9R1.8 CCNc1ccncn1 Amb18282107 [1,0,1,0,0,0|1,0,1]=4 749 B9R1.8 CNCc1ccncn1 Amb21962059 [1,0,1,0,0,0|1,0,1]=4 750 B9R1.8 CNCc1ccncn1 Amb22587684 [1,0,1,0,0,0|1,0,1]=4 751 B9R1.8 CNCc1ccncn1 Amb3941356 [1,0,1,0,0,0|1,0,1]=4 752 B9R1.8 CNCc1cncnc1 Amb32664708 [1,0,1,0,0,0|1,0,1]=4 753 B9R1.8 CNCc1cncnc1 Amb8010525 [1,0,1,0,0,0|1,0,1]=4 754 B9R1.8 NCCc1cncnc1 Amb32667660 [1,0,1,0,0,0|1,0,1]=4 755 B9R1.8 NCCc1cncnc1 Amb8009434 [1,0,1,0,0,0|1,0,1]=4 756 B9R1.8 NCCc1cncnc1 Amb8631335 [1,0,1,0,0,0|1,0,1]=4 757 B9R1.8 NNCc1cccnc1 Amb1121062 [1,0,1,0,0,0|1,0,1]=4 758 B9R1.8 NNCc1cccnc1 Amb22491471 [1,0,1,0,0,0|1,0,1]=4 759 B9R1.8 NNCc1cccnc1 Amb33551495 [1,0,1,0,0,0|1,0,1]=4 760 B9R1.8 NNCc1ccncn1 Amb23586399 [1,0,1,0,0,0|2,0,0]=4 761 B9R1.8 NNCc1cncnc1 Amb21960158 [1,0,1,0,0,0|0,0,1]=3 762 B9R1.8 NNCc1cncnc1 Amb22899760 [1,0,1,0,0,0|0,0,1]=3 763 B9R1.8 NOCc1cncnc1 Amb33149200 [1,0,1,0,0,0|1,0,1]=4 764 B9R1.8 N\C=C/c1cccnc1 Amb28137814 [1,0,1,0,0,0|2,0,0]=4 765 B9R1.8 N\C=C\c1cccnc1 Amb27776892 [1,0,1,0,0,0|2,0,0]=4 766 B9R1.8 N\N=C\c1cccnc1 Amb8485037 [1,0,1,0,0,0|1,0,1]=4 767 B9R1.8 ONCc1ccncn1 Amb23586394 [1,0,1,0,0,0|2,0,0]=4 768 B9R1.8 ONCc1cncnc1 Amb28066281 [1,0,1,0,0,0|1,0,1]=4 769 B9R1.8 O\N=C\c1cncnc1 Amb25943293 [1,0,1,0,0,0|1,0,1]=4 770 B9R1.41 N=C1ONC=C1C(N)=O Amb28280072 [1,0,1,0,0,0|1,0,1]=4 771 B11R1.8 Cc1nc(C)c(Br)c(NN)n1 Amb18132414 [0,1,1,0,0,0|2,0,0]=4 772 B11R1.8 Cc1nc(C)c(Cl)c(NN)n1 Amb22751475 [0,1,1,0,0,0|2,0,0]=4 773 B11R1.8 Cc1nc(C)c(I)c(NN)n1 Amb2441155 [0,1,1,0,0,0|2,0,0]=4 774 B11R1.8 Cc1nc(C)c(N)c(NN)n1 Amb24484357 [0,1,1,0,0,0|2,0,0]=4 775 B11R1.8 Cc1nc(C)c(O)c(NN)n1 Amb22751476 [0,1,1,0,0,0|2,0,0]=4 776 B11R1.8 Cc1nc(Cl)c(C)c(NN)n1 Amb22059314 [0,1,1,0,0,0|1,0,1]=4 777 B11R1.8 Cc1nc(N)nc(NN)c1C Amb28385979 [0,1,1,0,0,0|1,0,1]=4 778 B11R1.8 NNc1nc(N)nc(Cl)c1Cl Amb27494035 [0,1,1,0,0,0|2,0,0]=4 779 B11R1.265 C=Cc1c(C)ccnc1NN Amb24395956 [0,1,1,0,0,0|2,0,0]=4 780 B11R1.265 C=Nc1c(Cl)ncnc1NC Amb8386161 [0,1,1,0,0,0|2,0,0]=4 781 B11R1.265 CCc1c(N)ncnc1NN Amb27241812 [0,1,1,0,0,0|1,0,1]=4 782 B11R1.265 CNc1ncnc(Cl)c1C=O Amb18126852 [0,1,1,0,0,0|2,0,0]=4 783 B11R1.267 CCc1ncnc(NN)c1C Amb27607041 [0,1,1,0,0,0|1,0,1]=4 784 B11R1.267 CCc1ncnc(NN)c1F Amb28424138 [0,1,1,0,0,0|2,0,0]=4 785 B11R1.267 CNc1ncnc(NN)c1C Amb27617351 [0,1,1,0,0,0|1,0,1]=4 786 B11R1.267 CSc1ncnc(NN)c1C Amb27812474 [0,1,1,0,0,0|0,1,1]=4 787 B11R1.17 Cc1ncncc1\C=C\CN Amb33149151 [0,1,1,0,0,0|2,0,0]=4 788 B11R1.81 Cc1ncc(\C=N/N)c(N)n1 Amb27200904 [0,1,1,0,0,0|1,0,1]=4 789 B11R1.222 C=C(CN)c1cncnc1C Amb33268096 [0,1,1,0,0,0|2,0,0]=4 790 B11R1.222 Cc1ccncc1C(=O)NN Amb17843885 [0,1,1,0,0,0|2,0,0]=4 791 B11R1.222 Cc1ncccc1C(=O)NN Amb16231212 [0,1,1,0,0,0|2,0,0]=4 792 B11R1.222 Cc1ncncc1C(=O)CN Amb18201703 [0,1,1,0,0,0|2,0,0]=4 793 B11R1.222 Cc1ncncc1C(=O)NN Amb19516899 [0,1,1,0,0,0|1,0,0]=3 794 B11R1.222 Cc1ncncc1C(C)NN Amb28058494 [0,1,1,0,0,0|1,0,1]=4 795 B11R1.222 NNC(=O)C1=CC=CNC1=O Amb18261745 [0,1,1,0,0,0|1,0,1]=4 796 B11R1.222 NNC(=O)C1=CNC=CC1=O Amb26410826 [0,1,1,0,0,0|1,0,1]=4 797 B11R1.222 NNC(=O)c1cccnc1Cl Amb26609694 [0,1,1,0,0,0|2,0,0]=4 798 B11R1.222 NNC(=O)c1cccnc1Cl Amb27762294 [0,1,1,0,0,0|2,0,0]=4 799 B11R1.222 NNC(=O)c1cccnc1N Amb2751700 [0,1,1,0,0,0|2,0,0]=4 800 B11R1.222 NNC(=O)c1cccnc1S Amb25808034 [0,1,1,0,0,0|1,1,0]=4 801 B11R1.222 NNC(=O)c1cnccc1N Amb23554909 [0,1,1,0,0,0|2,0,0]=4 802 B11R1.222 NNC(=O)c1cnccc1S Amb27829476 [0,1,1,0,0,0|1,1,0]=4 803 B11R1.222 N\C(NO)=C1\C=CC=NC1=O Amb14013592 [0,1,1,0,0,0|2,0,0]=4 804 B11R1.605 NNCc1c(Cl)ncnc1Cl Amb33262349 [0,1,1,0,0,0|1,0,1]=4 805 B11R1.24 C=CCNc1cc(Cl)ncn1 Amb21958698 [0,1,1,0,0,0|2,0,0]=4 806 B11R1.24 C=CCNc1cc(F)ncn1 Amb27413219 [0,1,1,0,0,0|2,0,0]=4 807 B11R1.156 CC(=O)c1c(C)ncnc1N Amb26372753 [0,1,1,0,0,0|2,0,0]=4 808 B11R1.156 CC(=O)c1c(N)ncnc1O Amb25892575 [0,1,1,0,0,0|1,0,1]=4 809 B11R1.156 Cc1ccnc(N)c1C(=N)N Amb27606838 [0,1,1,0,0,0|2,0,0]=4 810 B11R1.156 Cc1ccnc(N)c1C(N)=O Amb32456015 [0,1,1,0,0,0|2,0,0]=4 811 B11R1.156 Cc1ccnc(N)c1C(N)=S Amb27256961 [0,1,1,0,0,0|2,0,0]=4 812 B11R1.156 Cc1ncnc(N)c1C(=O)O Amb24488224 [0,1,1,0,0,0|2,0,0]=4 813 B11R1.156 N=C(N)c1c(Cl)ncnc1Cl Amb33262480 [0,1,1,0,0,0|2,0,0]=4 814 B11R1.156 NC(=O)c1c(Cl)ncnc1Cl Amb22233865 [0,1,1,0,0,0|2,0,0]=4 815 B11R1.156 NC(=O)c1c(N)ccnc1Cl Amb23401957 [0,1,1,0,0,0|2,0,0]=4 816 B11R1.156 NC(=O)c1c(N)ccnc1Cl Amb32652778 [0,1,1,0,0,0|2,0,0]=4 817 B11R1.156 NC(=O)c1c(N)ncnc1N Amb5383973 [0,1,1,0,0,0|1,0,0]=3 818 B11R1.156 NC(=O)c1c(N)ncnc1S Amb27488202 [0,1,1,0,0,0|0,1,0]=3 819 B11R1.156 NC(=S)c1c(Cl)ncnc1Cl Amb24438631 [0,1,1,0,0,0|2,0,0]=4 820 B11R1.156 Nc1ncnc(N)c1C(=O)O Amb32698391 [0,1,1,0,0,0|2,0,0]=4 821 B11R1.464 CC1=NC(=O)\C(=N/O)C(N)=N1 Amb27401939 [0,1,1,0,0,0|2,0,0]=4 822 B11R1.464 CC1=NC(N)=C(C=O)C(=O)N1 Amb24119319 [0,1,1,0,0,0|1,0,1]=4 823 B11R1.464 Cc1nc(C)c(CN)c(N)n1 Amb22749346 [0,1,1,0,0,0|1,0,1]=4 824 B11R1.464 NC1=NC(N)=C(C=O)C(=O)N1 Amb19815896 [0,1,1,0,0,0|1,0,1]=4 825 B11R1.464 Nc1nc(Cl)nc(Cl)c1C=O Amb20670046 [0,1,1,0,0,0|2,0,0]=4 826 B11R1.464 Nc1nc(N)c(C=O)c(N)n1 Amb24063047 [0,1,1,0,0,0|2,0,0]=4 827 B11R1.464 Nc1nc(N)c(C=O)c(O)n1 Amb22586916 [0,1,1,0,0,0|1,0,1]=4 828 B11R1.464 Nc1nc(N)c(C=O)c(O)n1 Amb2721836 [0,1,1,0,0,0|1,0,1]=4 829 B11R2.1 Brc1csc2ncncc12 Amb22263125 [1,1,0,0,0,0|2,0,0]=4 830 B11R2.1 Brc1nsc2ncncc12 Amb18770634 [1,1,0,0,0,0|1,0,1]=4 831 B11R2.1 CC1NCc2ncncc21 Amb24071597 [1,1,0,0,0,0|1,0,1]=4 832 B11R2.1 CC1NCc2ncncc21 Amb28401559 [1,1,0,0,0,0|1,0,1]=4 833 B11R2.1 CN1NCc2cncnc21 Amb25738130 [1,1,0,0,0,0|0,0,1]=3 834 B11R2.1 Cn1ccc2cccnc21 Amb10602466 [1,1,0,0,0,0|2,0,0]=4 835 B11R2.1 Cn1ccc2cnccc21 Amb27160678 [1,1,0,0,0,0|2,0,0]=4 836 B11R2.1 Cn1cnc2cncnc21 Amb27249935 [1,1,0,0,0,0|2,0,0]=4 837 B11R2.1 Cn1ncc2cccnc21 Amb2390015 [1,1,0,0,0,0|1,0,1]=4 838 B11R2.1 Cn1ncc2cnccc21 Amb27482157 [1,1,0,0,0,0|1,0,1]=4 839 B11R2.1 Cn1ncc2cncnc21 Amb21928018 [1,1,0,0,0,0|0,0,1]=3 840 B11R2.1 Cn1nnc2cncnc21 Amb24102396 [1,1,0,0,0,0|1,0,1]=4 841 B11R2.1 Nc1coc2ncncc12 Amb18680554 [1,1,0,0,0,0|2,0,0]=4 842 B11R2.1 Nc1csc2ncncc12 Amb18677825 [1,1,0,0,0,0|2,0,0]=4 843 B11R2.1 Nc1nsc2ncncc12 Amb18201386 [1,1,0,0,0,0|1,0,1]=4 844 B11R2.1 Nn1cnc2cncnc21 Amb18832509 [1,1,0,0,0,0|2,0,0]=4 845 B11R2.1 O=C1CCc2ncncc21 Amb18832515 [1,1,0,0,0,0|2,0,0]=4 846 B11R2.1 O=C1NCc2ccncc21 Amb22388464 [1,1,0,0,0,0|2,0,0]=4 847 B11R2.1 O=C1NCc2ccncc21 Amb32675690 [1,1,0,0,0,0|2,0,0]=4 848 B11R2.1 O=C1NCc2ncccc21 Amb33530547 [1,1,0,0,0,0|2,0,0]=4 849 B11R2.1 O=C1NCc2ncncc21 Amb27254107 [1,1,0,0,0,0|1,0,0]=3 850 B11R2.1 O=C1NNc2ccccc21 Amb19514505 [1,1,0,0,0,0|2,0,0]=4 851 B11R2.1 O=C1NNc2ncccc21 Amb33528585 [1,1,0,0,0,0|1,0,0]=3 852 B11R2.1 O=C1NNc2nccnc21 Amb27471979 [1,1,0,0,0,0|2,0,0]=4 853 B11R2.1 O=C1NNc2ncncc21 Amb24062015 [1,1,0,0,0,0|0,0,0]=2 854 B11R2.1 ON1NNc2cccnc21 Amb27242890 [1,1,0,0,0,0|2,0,0]=4 855 B11R2.1 Oc1noc2ncncc12 Amb33471808 [1,1,0,0,0,0|1,0,1]=4 856 B11R2.1 On1ccc2cccnc21 Amb25858298 [1,1,0,0,0,0|2,0,0]=4 857 B11R2.1 On1ncc2cccnc21 Amb27392629 [1,1,0,0,0,0|1,0,1]=4 858 B11R2.1 [SiH3]n1ccc2cccnc21 Amb28135451 [1,1,0,0,0,0|2,0,0]=4 859 B11R2.10 Brc1cc2cncnc2o1 Amb18811036 [1,1,0,0,0,0|2,0,0]=4 860 B11R2.10 Brc1cc2cncnc2s1 Amb18771087 [1,1,0,0,0,0|2,0,0]=4 861 B11R2.10 CC1Cc2cncnc2N1 Amb18832495 [1,1,0,0,0,0|1,0,1]=4 862 B11R2.10 CC1Nc2cncnc2N1 Amb28059150 [1,1,0,0,0,0|2,0,0]=4 863 B11R2.10 Cc1cc2cncnc2s1 Amb26499961 [1,1,0,0,0,0|2,0,0]=4 864 B11R2.10 Clc1cc2cncnc2s1 Amb24652927 [1,1,0,0,0,0|2,0,0]=4 865 B11R2.10 Cn1cc2cnccc2n1 Amb22015197 [1,1,0,0,0,0|1,0,1]=4 866 B11R2.10 Cn1nc2cncnc2n1 Amb27455479 [1,1,0,0,0,0|1,0,1]=4 867 B11R2.10 Nc1cc2cncnc2s1 Amb18201605 [1,1,0,0,0,0|2,0,0]=4 868 B11R2.10 O=C1Cc2cncnc2N1 Amb22494135 [1,1,0,0,0,0|1,0,1]=4 869 B11R2.36 Brc1ncc2cnoc2n1 Amb18187377 [1,1,0,0,0,0|1,0,1]=4 870 B11R2.36 Brc1ncc2cnsc2n1 Amb18770647 [1,1,0,0,0,0|1,0,1]=4 871 B11R2.36 Cc1ncc2c(n1)CNC2 Amb22493852 [1,1,0,0,0,0|1,0,1]=4 872 B11R2.36 Cc1ncc2c(n1)CNC2 Amb24054735 [1,1,0,0,0,0|1,0,1]=4 873 B11R2.36 Cc1ncc2c(n1)CNC2 Amb8011430 [1,1,0,0,0,0|1,0,1]=4 874 B11R2.36 Cc1ncc2c(n1)NCC2 Amb18832494 [1,1,0,0,0,0|1,0,1]=4 875 B11R2.36 Clc1ncc2c(n1)CNC2 Amb19959204 [1,1,0,0,0,0|1,0,1]=4 876 B11R2.36 Clc1ncc2c(n1)CNC2 Amb31307769 [1,1,0,0,0,0|1,0,1]=4 877 B11R2.36 Clc1ncc2c(n1)NCC2 Amb18830814 [1,1,0,0,0,0|1,0,1]=4 878 B11R2.36 Clc1ncc2ccoc2n1 Amb24635142 [1,1,0,0,0,0|2,0,0]=4 879 B11R2.36 Clc1ncc2ccsc2n1 Amb19957859 [1,1,0,0,0,0|2,0,0]=4 880 B11R2.36 Fc1ncc2ccsc2n1 Amb30034187 [1,1,0,0,0,0|2,0,0]=4 881 B11R2.36 Ic1ncc2ccsc2n1 Amb27601817 [1,1,0,0,0,0|2,0,0]=4 882 B11R2.36 Nc1ncc2c(n1)CNC2 Amb22057724 [1,1,0,0,0,0|1,0,1]=4 883 B11R2.36 Nc1ncc2c(n1)CNC2 Amb22494242 [1,1,0,0,0,0|1,0,1]=4 884 B11R2.36 Nc1ncc2c(n1)CNC2 Amb24054738 [1,1,0,0,0,0|1,0,1]=4 885 B11R2.36 Nc1ncc2cnoc2n1 Amb18832484 [1,1,0,0,0,0|1,0,1]=4 886 B11R2.36 Nc1ncc2cnsc2n1 Amb18201377 [1,1,0,0,0,0|1,0,1]=4 887 B11R2.36 O=C1C=CC2=CNNC2=C1 Amb22489531 [1,1,0,0,0,0|2,0,0]=4 888 B11R2.36 O=C1N=CC2=CC=NC2=N1 Amb22002012 [1,1,0,0,0,0|1,0,1]=4 889 B11R2.36 Oc1ncc2c(n1)NCC2 Amb18832386 [1,1,0,0,0,0|1,0,1]=4 890 B11R2.36 Sc1ncc2c(n1)CNC2 Amb27882206 [1,1,0,0,0,0|1,0,1]=4 891 B11R2.8 CC1=Nc2sccc2C1=O Amb5721189 [0,1,0,0,1,0|2,0,0]=4 892 B11R2.60 O=C1NC=C2C(=O)NC=C12 Amb25727272 [0,1,0,0,1,0|1,0,1]=4 893 B13R2.162 Nc1ncnc2c1NC(=O)CN2 Amb19374469 [0,1,0,0,0,1|2,0,0]=4 894 B13R2.162 O=C1CNc2ncnc(Cl)c2N1 Amb23585384 [0,1,0,0,0,1|2,0,0]=4 895 B13R2.162 O=C1CNc2ncnc(Cl)c2N1 Amb32666830 [0,1,0,0,0,1|2,0,0]=4 896 B13R2.328 NC1=NC(=O)C2=CC=NNC2=N1 Amb18645783 [0,1,0,0,0,1|0,0,1]=3 897 B13R2.328 NC1=NC2=C(N=CCN2)C(=O)N1 Amb18646240 [0,1,0,0,0,1|1,0,1]=4 898 B13R2.328 O=C1N=C2NN=CC=C2C(=O)N1 Amb21964056 [0,1,0,0,0,1|0,0,2]=4 899 B13R2.342 CN1NC=NC2=C1N=CNC2=S Amb27259452 [0,1,0,0,0,1|0,1,1]=4 900 B13R2.1613 O=Cc1ncnc2ccccc12 Amb21963279 [0,1,0,0,0,1|2,0,0]=4 901 B13R2.1613 O=Cc1ncnc2cnccc12 Amb27410387 [0,1,0,0,0,1|1,0,1]=4 902 B13R2.1613 O=Nc1ncnc2ccccc12 Amb28051690 [0,1,0,0,0,1|2,0,0]=4 903 B13R2.4818 Nc1ncnc2c1C(=O)C=CN2 Amb21929108 [0,1,0,0,0,1|2,0,0]=4 904 B13R2.5179 Cc1ncnc2c1C=CC(=O)N2 Amb27867354 [0,1,0,0,0,1|2,0,0]=4 905 B13R2.5179 Cc1ncnc2c1N=CC(=O)N2 Amb27751321 [0,1,0,0,0,1|2,0,0]=4 906 B13R2.5179 Nc1ncnc2c1N=CC(=O)N2 Amb18645779 [0,1,0,0,0,1|2,0,0]=4 907 B13R2.5180 Cn1ncc2c1N=CN(N)C2=O Amb18646234 [0,2,0,0,0,0|0,0,2]=4 908 B13R2.9 C=Cn1ncc2c1N=CNC2=O Amb28341073 [0,2,0,0,0,0|0,0,2]=4 909 B13R2.9 CCn1ccc2c(N)ncnc21 Amb24604403 [0,2,0,0,0,0|2,0,0]=4 910 B13R2.9 CCn1ncc2c(Cl)ncnc21 Amb19045142 [0,2,0,0,0,0|1,0,1]=4 911 B13R2.9 CCn1ncc2c(N)ncnc21 Amb4394159 [0,2,0,0,0,0|1,0,1]=4 912 B13R2.9 CCn1ncc2c1N=CNC2=O Amb18788265 [0,2,0,0,0,0|0,0,2]=4 913 B13R2.9 O=C1NC=Nc2c1cnn2CO Amb27616907 [0,2,0,0,0,0|0,0,2]=4 914 B13R2.573 CNc1ncnc2c1cnn2C Amb33528540 [0,2,0,0,0,0|1,0,1]=4 915 B13R2.573 COc1ncnc2c1ccn2C Amb24088399 [0,2,0,0,0,0|1,0,1]=4 916 B13R2.573 CSc1ncnc2c1cnn2C Amb10700183 [0,2,0,0,0,0|0,1,1]=4 917 B13R2.573 Cn1ccc2c(C#N)ncnc21 Amb25212752 [0,2,0,0,0,0|2,0,0]=4 918 B13R2.573 Cn1ccc2c(C=O)ccnc21 Amb25062419 [0,2,0,0,0,0|2,0,0]=4 919 B13R2.573 Cn1ccc2c(C=O)ncnc21 Amb25266026 [0,2,0,0,0,0|1,0,0]=3 920 B13R2.573 Cn1ccc2c(CN)ncnc21 Amb27629044 [0,2,0,0,0,0|2,0,0]=4 921 B13R2.573 Cn1ccc2c(CO)ncnc21 Amb25677543 [0,2,0,0,0,0|1,0,1]=4 922 B13R2.573 Cn1ncc2c(NN)ncnc21 Amb1115371 [0,2,0,0,0,0|1,0,1]=4 923 B13R2.3742 CC1=NC(=O)c2cnn(C)c2N1 Amb22491284 [0,2,0,0,0,0|0,0,2]=4 924 B13R2.3742 CC1=Nc2c(cnn2C)C(=O)N1 Amb18800763 [0,2,0,0,0,0|0,0,2]=4 925 B13R2.3742 Cc1nc(Br)c2cnn(C)c2n1 Amb18159551 [0,2,0,0,0,0|1,0,1]=4 926 B13R2.3742 Cc1nc(Cl)c2ccn(C)c2n1 Amb22750909 [0,2,0,0,0,0|2,0,0]=4 927 B13R2.3742 Cc1nc(Cl)c2cnn(C)c2n1 Amb8845101 [0,2,0,0,0,0|1,0,1]=4 928 B13R2.3742 Cc1nc(N)c2cnn(C)c2n1 Amb18829336 [0,2,0,0,0,0|1,0,1]=4 929 B13R2.3742 Cn1ccc2c(Cl)nc(Cl)nc21 Amb19959283 [0,2,0,0,0,0|2,0,0]=4 930 B13R2.3742 Cn1ccc2c(Cl)nc(N)nc21 Amb22170442 [0,2,0,0,0,0|2,0,0]=4 931 B13R2.3742 Cn1ccc2c(N)nc(Cl)nc21 Amb27226124 [0,2,0,0,0,0|2,0,0]=4 932 B13R2.3742 Cn1ccc2c1N=C(Cl)NC2=O Amb23399868 [0,2,0,0,0,0|1,0,1]=4 933 B13R2.3742 Cn1ccc2c1N=C(N)NC2=O Amb18646008 [0,2,0,0,0,0|1,0,1]=4 934 B13R2.3742 Cn1ncc2c(Cl)nc(Cl)nc21 Amb10070433 [0,2,0,0,0,0|1,0,1]=4 935 B13R2.3742 Cn1ncc2c(Cl)nc(N)nc21 Amb33545525 [0,2,0,0,0,0|1,0,1]=4 936 B13R2.3742 Cn1ncc2c(N)nc(Cl)nc21 Amb18858295 [0,2,0,0,0,0|1,0,1]=4 937 B13R2.3742 Cn1ncc2c(N)nc(N)nc21 Amb28145826 [0,2,0,0,0,0|1,0,1]=4 938 B13R2.3742 Cn1ncc2c1N=C(Cl)NC2=O Amb19372957 [0,2,0,0,0,0|0,0,2]=4 939 B13R2.3742 Cn1ncc2c1N=C(N)NC2=O Amb25238296 [0,2,0,0,0,0|0,0,2]=4 940 B13R2.3742 Cn1ncc2c1NC(Cl)=NC2=O Amb21964096 [0,2,0,0,0,0|0,0,2]=4 941 B13R2.4825 Cc1cc2c(Cl)ncnc2n1C Amb22750908 [0,2,0,0,0,0|2,0,0]=4 942 B13R2.4825 Cn1c(Br)cc2c(Cl)ncnc21 Amb22405955 [0,2,0,0,0,0|2,0,0]=4 943 B13R2.4825 Cn1c(I)cc2c(Cl)ncnc21 Amb22737526 [0,2,0,0,0,0|2,0,0]=4 944 B13R2.4857 CC1=C2C(=O)N=CC=C2N(C)N1 Amb27624201 [0,2,0,0,0,0|1,0,0]=3 945 B13R2.4857 CC1=C2C(=S)N=CC=C2N(C)N1 Amb27258207 [0,2,0,0,0,0|1,1,0]=4 946 B13R2.4857 CN1NC(=O)c2c(O)ccnc21 Amb19514880 [0,2,0,0,0,0|1,0,1]=4 947 B13R2.4857 CN1NC(Br)=C2C(=O)N=CN=C21 Amb25893750 [0,2,0,0,0,0|0,0,0]=2 948 B13R2.4857 CN1NC(F)=C2C(=O)N=CN=C21 Amb27465148 [0,2,0,0,0,0|0,0,0]=2 949 B13R2.4857 Cc1cn(C)c2c1C(=O)NC=N2 Amb21948825 [0,2,0,0,0,0|1,0,1]=4 950 B13R2.4857 Cc1cn(C)c2ncnc(Cl)c12 Amb27800800 [0,2,0,0,0,0|2,0,0]=4 951 B13R2.4857 Cc1nn(C)c2c1C(=O)NC=N2 Amb18015586 [0,2,0,0,0,0|0,0,2]=4 952 B13R2.4857 Cc1nn(C)c2ncnc(Cl)c12 Amb5751321 [0,2,0,0,0,0|1,0,1]=4 953 B13R2.4857 Cc1nn(C)c2ncnc(N)c12 Amb2389996 [0,2,0,0,0,0|1,0,1]=4 954 B13R2.4857 Cn1cc(Br)c2c(Cl)ncnc21 Amb21857690 [0,2,0,0,0,0|2,0,0]=4 955 B13R2.4857 Cn1cc(Br)c2c(N)ncnc21 Amb22053389 [0,2,0,0,0,0|2,0,0]=4 956 B13R2.4857 Cn1cc(I)c2c(N)ncnc21 Amb21963431 [0,2,0,0,0,0|2,0,0]=4 957 B13R2.4857 Cn1nc(Br)c2c(Cl)ncnc21 Amb13952467 [0,2,0,0,0,0|1,0,1]=4 958 B13R2.4857 Cn1nc(Br)c2c(N)ncnc21 Amb18134999 [0,2,0,0,0,0|1,0,1]=4 959 B13R2.4857 Cn1nc(Br)c2c1N=CNC2=O Amb19514643 [0,2,0,0,0,0|0,0,2]=4 960 B13R2.4857 Cn1nc(Cl)c2c1N=CNC2=O Amb27178118 [0,2,0,0,0,0|0,0,2]=4 961 B13R2.4857 Cn1nc(I)c2c(Cl)ncnc21 Amb23401778 [0,2,0,0,0,0|1,0,1]=4 962 B13R2.4857 Cn1nc(I)c2c(N)ncnc21 Amb22406136 [0,2,0,0,0,0|1,0,1]=4 963 B13R2.4857 Cn1nc(I)c2c1N=CNC2=O Amb25289593 [0,2,0,0,0,0|0,0,2]=4 964 B13R2.4857 Cn1nc(N)c2c1N=CNC2=O Amb18646228 [0,2,0,0,0,0|0,0,2]=4 965 B13R2.54 C=Cn1cc2c(N)ncnc2n1 Amb27667733 [0,2,0,0,0,0|1,0,1]=4 966 B13R2.54 CCn1cc2ncnc(N)c2c1 Amb23511864 [0,2,0,0,0,0|2,0,0]=4 967 B13R2.4856 CN1NC2=C(C(=O)C=CN2)C1=O Amb27480532 [0,2,0,0,0,0|1,0,1]=4 968 B13R2.5397 Cn1cc2c(Cl)nc(Cl)nc2n1 Amb24497660 [0,2,0,0,0,0|1,0,1]=4 969 B13R2.5397 Cn1cc2c(Cl)nc(N)nc2n1 Amb27490749 [0,2,0,0,0,0|1,0,1]=4 970 B13R2.5397 Cn1cc2nc(Cl)nc(Cl)c2c1 Amb22750916 [0,2,0,0,0,0|2,0,0]=4 971 B13R2.582 O=Cc1nccc2c1C(=O)NC2 Amb27163132 [0,2,0,0,0,0|2,0,0]=4 972 B13R2.2091 COC1=C2C(=O)N=CN=C2N=N1 Amb27835965 [0,2,0,0,0,0|0,0,2]=4 973 B13R2.2091 N#CC1=C2C(=O)N=CN=C2N=N1 Amb27484728 [0,2,0,0,0,0|0,0,2]=4 974 B13R2.11642 CC1=C2C(=O)N=C(N)N=C2N=N1 Amb27662298 [0,2,0,0,0,0|0,0,2]=4 975 B13R2.11642 CC1=C2C(Cl)=NC(=N)N=C2NN1 Amb24750219 [0,2,0,0,0,0|1,0,0]=3 976 B13R2.11642 CC1=NC2=C(C(=O)CN2)C(=O)O1 Amb29845351 [0,2,0,0,0,0|2,0,0]=4 977 B13R2.11642 Cc1cc(C)c2c(n1)NNC2=O Amb18800688 [0,2,0,0,0,0|2,0,0]=4 978 B13R2.11642 Cc1cc(O)c2c(n1)NNC2=O Amb22495852 [0,2,0,0,0,0|1,0,1]=4 979 B13R2.11642 Cc1cc(O)nc2c1C(=O)NN2 Amb18646210 [0,2,0,0,0,0|2,0,0]=4 980 B13R2.11642 Cc1cc2c(c(C)n1)C(=O)NN2 Amb19886584 [0,2,0,0,0,0|2,0,0]=4 981 B13R2.11642 Cc1nc(Cl)nc2c1C(=O)NN2 Amb26656726 [0,2,0,0,0,0|1,0,0]=3 982 B13R2.11642 Cc1nc(O)c2c(n1)CNC2=O Amb27237805 [0,2,0,0,0,0|1,0,1]=4 983 B13R2.11642 NC1=C2C(=O)NC(=O)N=C2NO1 Amb25691071 [0,2,0,0,0,0|1,0,1]=4 984 B13R2.11642 O=C1NNc2cc(Cl)nc(Cl)c21 Amb28368628 [0,2,0,0,0,0|2,0,0]=4 985 B13R2.654 CSC1=NC(=O)C2C=CNC2=N1 Amb19515746 [0,2,0,0,0,0|1,0,1]=4 986 B13R2.5569 O=C(O)c1ncnc2sccc12 Amb28594298 [0,2,0,0,0,0|2,0,0]=4 987 B9R1.27 N\N=C1/C(=O)NN=C1N Amb28199149 [0,0,1,0,1,0|1,0,1]=4 988 B9R2.3 C1=NN=C2N=NC=C12 Amb27400724 [1,0,0,0,1,0|0,0,2]=4 989 B9R2.3 c1cc2ccnc2n1 Amb27881525 [1,0,0,0,1,0|1,0,1]=4 990 B9R2.50 C1=Nc2ccncc21 Amb27490817 [1,0,0,0,1,0|1,0,1]=4