0 B11R2.20 C1C=CCC2=C1CC=CC2 TS36716 [0,0,0,0,0,0|1,0,3]=4 1 B11R2.20 c1cc2c(cccn2)nc1 TS01994 [0,0,0,0,0,0|1,0,0]=1 2 B11R2.20 c1cc2c(nc1)CCCC2 TS71334 [0,0,0,0,0,0|0,0,4]=4 3 B11R2.20 c1cc2c(nc1)CCCN2 TS05910 [0,0,0,0,0,0|1,0,3]=4 4 B11R2.20 c1cc2c(nc1)CCNC2 TS16957 [0,0,0,0,0,0|1,0,3]=4 5 B11R2.20 c1cc2c(nc1)CCNC2 TS94341 [0,0,0,0,0,0|1,0,3]=4 6 B11R2.20 c1cc2c(nc1)CNCC2 TS02254 [0,0,0,0,0,0|1,0,3]=4 7 B11R2.20 c1cc2c(nc1)CNCC2 TS86659 [0,0,0,0,0,0|1,0,3]=4 8 B11R2.20 c1cc2c(nc1)NCCC2 TS05909 [0,0,0,0,0,0|1,0,3]=4 9 B11R2.20 c1cc2c(nc1)NCCO2 TS02543 [0,0,0,0,0,0|2,0,2]=4 10 B11R2.20 c1cc2c(nc1)OCCN2 TS87732 [0,0,0,0,0,0|2,0,2]=4 11 B11R2.20 c1cc2c(nc1)OCCO2 TS37086 [0,0,0,0,0,0|2,0,2]=4 12 B11R2.20 c1cc2c(nc1)nccn2 TS05652 [0,0,0,0,0,0|2,0,0]=2 13 B11R2.20 c1cc2cccnc2nc1 TS02110 [0,0,0,0,0,0|1,0,0]=1 14 B11R2.20 c1cc2cnccc2nc1 TS46826 [0,0,0,0,0,0|1,0,0]=1 15 B11R2.20 c1ccc2c(c1)CC=CC2 TS16693 [0,0,0,0,0,0|1,0,1]=2 16 B11R2.20 c1ccc2c(c1)CCC=C2 TS36512 [0,0,0,0,0,0|1,0,1]=2 17 B11R2.20 c1ccc2c(c1)CCCC2 TS36696 [0,0,0,0,0,0|1,0,3]=4 18 B11R2.20 c1ccc2c(c1)CCCC2 TS73725 [0,0,0,0,0,0|1,0,3]=4 19 B11R2.20 c1ccc2c(c1)CCCN2 TS00337 [0,0,0,0,0,0|0,0,4]=4 20 B11R2.20 c1ccc2c(c1)CCN=C2 TS02548 [0,0,0,0,0,0|2,0,1]=3 21 B11R2.20 c1ccc2c(c1)CCOC2 TS01923 [0,0,0,0,0,0|2,0,2]=4 22 B11R2.20 c1ccc2c(c1)CNCO2 TS36914 [0,0,0,0,0,0|2,0,2]=4 23 B11R2.20 c1ccc2c(c1)NCCN2 TS00343 [0,0,0,0,0,0|1,0,3]=4 24 B11R2.20 c1ccc2c(c1)NCCO2 TS45382 [0,0,0,0,0,0|1,0,3]=4 25 B11R2.20 c1ccc2c(c1)NCCO2 TS81066 [0,0,0,0,0,0|1,0,3]=4 26 B11R2.20 c1ccc2c(c1)OCCO2 TS00382 [0,0,0,0,0,0|2,0,2]=4 27 B11R2.20 c1ccc2c(c1)SCCS2 TS12590 [0,0,0,0,0,0|2,0,2]=4 28 B11R2.20 c1ccc2c(c1)ccc[nH+]2 TS72329 [0,0,0,0,0,0|0,0,1]=1 29 B11R2.20 c1ccc2c(c1)cccn2 TS05460 [0,0,0,0,0,0|0,0,0]=0 30 B11R2.20 c1ccc2c(c1)cccn2 TS12108 [0,0,0,0,0,0|0,0,0]=0 31 B11R2.20 c1ccc2c(c1)cccn2 TS77676 [0,0,0,0,0,0|0,0,0]=0 32 B11R2.20 c1ccc2c(c1)ccnn2 TS36485 [0,0,0,0,0,0|1,0,0]=1 33 B11R2.20 c1ccc2c(c1)cncn2 TS39940 [0,0,0,0,0,0|1,0,0]=1 34 B11R2.20 c1ccc2c(c1)nccn2 TS36484 [0,0,0,0,0,0|1,0,0]=1 35 B11R2.20 c1ccc2ccccc2c1 TS05355 [0,0,0,0,0,0|1,0,0]=1 36 B11R2.20 c1ccc2cnccc2c1 TS56192 [0,0,0,0,0,0|2,0,0]=2 37 B11R2.20 c1ccc2cnccc2c1 TS94810 [0,0,0,0,0,0|2,0,0]=2 38 B11R2.20 c1ccc2cnncc2c1 TS59679 [0,0,0,0,0,0|3,0,0]=3 39 B12R2.24 C1CN2C=CC=CC2=NC1=O TS07439 [0,1,0,0,0,0|1,0,2]=4 40 B12R2.24 Cc1cc2ccccc2cn1 TS02850 [0,1,0,0,0,0|2,0,0]=3 41 B12R2.24 Cc1cc2ccccc2nc1 TS06876 [0,1,0,0,0,0|0,0,0]=1 42 B12R2.24 Cc1ccc2c(c1)cccn2 TS01274 [0,1,0,0,0,0|0,0,0]=1 43 B12R2.24 Cc1ccc2c(c1)cncn2 TS40185 [0,1,0,0,0,0|1,0,0]=2 44 B12R2.24 Cc1ccc2c(c1)nccn2 TS40189 [0,1,0,0,0,0|1,0,0]=2 45 B12R2.24 Cc1ccc2c(n1)cccn2 TS39280 [0,1,0,0,0,0|1,0,0]=2 46 B12R2.24 Cc1ccc2ccccc2c1 TS06723 [0,1,0,0,0,0|1,0,0]=2 47 B12R2.24 Cc1ccc2ccccc2n1 TS00107 [0,1,0,0,0,0|0,0,0]=1 48 B12R2.24 Cc1ccc2ccccc2n1 TS26649 [0,1,0,0,0,0|0,0,0]=1 49 B12R2.24 Cc1ccc2ccccc2n1 TS26685 [0,1,0,0,0,0|0,0,0]=1 50 B12R2.24 Cc1ccc2cccnc2c1 TS55694 [0,1,0,0,0,0|0,0,0]=1 51 B12R2.24 Cc1ccc2cccnc2n1 TS06960 [0,1,0,0,0,0|1,0,0]=2 52 B12R2.24 Cc1ccc2cnccc2c1 TS39791 [0,1,0,0,0,0|2,0,0]=3 53 B12R2.24 Cc1ccc2cnncc2c1 TS40192 [0,1,0,0,0,0|3,0,0]=4 54 B12R2.24 Cc1cnc2ccccc2n1 TS40190 [0,1,0,0,0,0|1,0,0]=2 55 B12R2.24 Cc1nc2ccccc2nn1 TS07096 [0,1,0,0,0,0|2,0,0]=3 56 B12R2.24 c1cc(=O)[nH]c2c1cncc2 TS01996 [0,1,0,0,0,0|1,0,1]=3 57 B12R2.24 c1cc(cc2c1ccnc2)Br TS55661 [0,1,0,0,0,0|2,0,0]=3 58 B12R2.24 c1cc(cc2c1ccnc2)N TS01297 [0,1,0,0,0,0|2,0,0]=3 59 B12R2.24 c1cc(cc2c1ccnc2)O TS55679 [0,1,0,0,0,0|2,0,0]=3 60 B12R2.24 c1cc(nc2c1ccnc2)Br TS43588 [0,1,0,0,0,0|1,0,0]=2 61 B12R2.24 c1cc(nc2c1ccnc2)Cl TS42831 [0,1,0,0,0,0|1,0,0]=2 62 B12R2.24 c1cc(nc2c1cncn2)N TS01664 [0,1,0,0,0,0|2,0,0]=3 63 B12R2.24 c1cc(nc2c1nccn2)N TS07207 [0,1,0,0,0,0|2,0,0]=3 64 B12R2.24 c1cc-2ccc(=O)nc2[nH]c1 TS07188 [0,1,0,0,0,0|1,0,0]=2 65 B12R2.24 c1cc2c(cc1Br)C=CCC2 TS20693 [0,1,0,0,0,0|1,0,1]=3 66 B12R2.24 c1cc2c(cc1Br)cncn2 TS16480 [0,1,0,0,0,0|1,0,0]=2 67 B12R2.24 c1cc2c(cc1Br)nccn2 TS16483 [0,1,0,0,0,0|1,0,0]=2 68 B12R2.24 c1cc2c(cc1Cl)C=CCC2 TS11962 [0,1,0,0,0,0|1,0,1]=3 69 B12R2.24 c1cc2c(cc1Cl)nccn2 TS11947 [0,1,0,0,0,0|1,0,0]=2 70 B12R2.24 c1cc2c(cc1F)C=CCC2 TS07450 [0,1,0,0,0,0|1,0,1]=3 71 B12R2.24 c1cc2c(cc1N)nccn2 TS07099 [0,1,0,0,0,0|1,0,0]=2 72 B12R2.24 c1cc2c(ccc(n2)Cl)nc1 TS87520 [0,1,0,0,0,0|1,0,0]=2 73 B12R2.24 c1cc2c(ccc(n2)N)nc1 TS60189 [0,1,0,0,0,0|1,0,0]=2 74 B12R2.24 c1cc2c(cnc(n2)Cl)nc1 TS90109 [0,1,0,0,0,0|2,0,0]=3 75 B12R2.24 c1cc2c(nc1)NC(=O)CC2 TS40632 [0,1,0,0,0,0|1,0,2]=4 76 B12R2.24 c1cc2c(nc1)NC(=O)CO2 TS46411 [0,1,0,0,0,0|2,0,1]=4 77 B12R2.24 c1cc2c(nc1)ncc(n2)Cl TS00958 [0,1,0,0,0,0|2,0,0]=3 78 B12R2.24 c1cc2cc(ccc2nc1)Br TS16482 [0,1,0,0,0,0|0,0,0]=1 79 B12R2.24 c1cc2cc(ccc2nc1)Cl TS55590 [0,1,0,0,0,0|0,0,0]=1 80 B12R2.24 c1cc2cc(ccc2nc1)I TS01245 [0,1,0,0,0,0|0,0,0]=1 81 B12R2.24 c1cc2cc(ccc2nc1)N TS01214 [0,1,0,0,0,0|0,0,0]=1 82 B12R2.24 c1cc2cc(ccc2nc1)N TS48009 [0,1,0,0,0,0|0,0,0]=1 83 B12R2.24 c1cc2cc(cnc2nc1)N TS07095 [0,1,0,0,0,0|1,0,0]=2 84 B12R2.24 c1cc2ccc(cc2nc1)Br TS55665 [0,1,0,0,0,0|0,0,0]=1 85 B12R2.24 c1cc2ccc(cc2nc1)Cl TS39796 [0,1,0,0,0,0|0,0,0]=1 86 B12R2.24 c1cc2ccc(cc2nc1)N TS01298 [0,1,0,0,0,0|0,0,0]=1 87 B12R2.24 c1cc2ccc(cc2nc1)O TS55681 [0,1,0,0,0,0|0,0,0]=1 88 B12R2.24 c1cc2ccc(nc2nc1)N TS40303 [0,1,0,0,0,0|1,0,0]=2 89 B12R2.24 c1cc2cnccc2cc1Br TS16471 [0,1,0,0,0,0|2,0,0]=3 90 B12R2.24 c1cc2cnccc2cc1N TS01206 [0,1,0,0,0,0|2,0,0]=3 91 B12R2.24 c1cc2cnccc2cc1O TS55609 [0,1,0,0,0,0|2,0,0]=3 92 B12R2.24 c1cc2cncnc2cc1Br TS55664 [0,1,0,0,0,0|1,0,0]=2 93 B12R2.24 c1cc2cnncc2cc1Br TS87020 [0,1,0,0,0,0|3,0,0]=4 94 B12R2.24 c1ccc2c(c1)CC(=O)CO2 TS07410 [0,1,0,0,0,0|1,0,2]=4 95 B12R2.24 c1ccc2c(c1)CC(=O)CS2 TS11911 [0,1,0,0,0,0|1,0,2]=4 96 B12R2.24 c1ccc2c(c1)CC(=O)NC2 TS46807 [0,1,0,0,0,0|2,0,1]=4 97 B12R2.24 c1ccc2c(c1)CC(=O)OC2 TS08988 [0,1,0,0,0,0|2,0,1]=4 98 B12R2.24 c1ccc2c(c1)CC=C(N2)Cl TS12107 [0,1,0,0,0,0|0,0,2]=3 99 B12R2.24 c1ccc2c(c1)CCC(=O)C2 TS65651 [0,1,0,0,0,0|1,0,2]=4 100 B12R2.24 c1ccc2c(c1)CCC(=O)N2 TS02541 [0,1,0,0,0,0|0,0,3]=4 101 B12R2.24 c1ccc2c(c1)CCC(=O)O2 TS01918 [0,1,0,0,0,0|1,0,2]=4 102 B12R2.24 c1ccc2c(c1)NC(=O)CO2 TS46410 [0,1,0,0,0,0|1,0,2]=4 103 B12R2.24 c1ccc2c(c1)NC(=O)CS2 TS42929 [0,1,0,0,0,0|1,0,2]=4 104 B12R2.24 c1ccc2c(c1)NCC(=O)N2 TS32785 [0,1,0,0,0,0|1,0,2]=4 105 B12R2.24 c1ccc2c(c1)OC=C(O2)Br TS44287 [0,1,0,0,0,0|2,0,0]=3 106 B12R2.24 c1ccc2c(c1)cc(cn2)Br TS09500 [0,1,0,0,0,0|0,0,0]=1 107 B12R2.24 c1ccc2c(c1)cc(cn2)N TS02673 [0,1,0,0,0,0|0,0,0]=1 108 B12R2.24 c1ccc2c(c1)cc(cn2)O TS02804 [0,1,0,0,0,0|0,0,0]=1 109 B12R2.24 c1ccc2c(c1)ccc(=O)o2 TS07170 [0,1,0,0,0,0|1,0,0]=2 110 B12R2.24 c1ccc2c(c1)ccc(n2)Br TS00867 [0,1,0,0,0,0|0,0,0]=1 111 B12R2.24 c1ccc2c(c1)ccc(n2)Cl TS00965 [0,1,0,0,0,0|0,0,0]=1 112 B12R2.24 c1ccc2c(c1)ccc(n2)I TS28720 [0,1,0,0,0,0|0,0,0]=1 113 B12R2.24 c1ccc2c(c1)ccc(n2)N TS55047 [0,1,0,0,0,0|0,0,0]=1 114 B12R2.24 c1ccc2c(c1)ccc(n2)O TS07083 [0,1,0,0,0,0|0,0,0]=1 115 B12R2.24 c1ccc2c(c1)ccc(n2)O TS94826 [0,1,0,0,0,0|0,0,0]=1 116 B12R2.24 c1ccc2c(c1)ccc(n2)S TS11438 [0,1,0,0,0,0|0,0,0]=1 117 B12R2.24 c1ccc2c(c1)cnc(n2)Cl TS00964 [0,1,0,0,0,0|1,0,0]=2 118 B12R2.24 c1ccc2c(c1)cnc(n2)N TS00825 [0,1,0,0,0,0|1,0,0]=2 119 B12R2.24 c1ccc2c(c1)ncc(n2)Br TS55171 [0,1,0,0,0,0|1,0,0]=2 120 B12R2.24 c1ccc2c(c1)ncc(n2)Cl TS39269 [0,1,0,0,0,0|1,0,0]=2 121 B12R2.24 c1ccc2c(c1)ncc(n2)N TS40308 [0,1,0,0,0,0|1,0,0]=2 122 B12R2.24 c1ccc2c(c1)ncc(n2)O TS07193 [0,1,0,0,0,0|1,0,0]=2 123 B12R2.24 c1ccc2c(c1)ncc(n2)S TS42478 [0,1,0,0,0,0|1,0,0]=2 124 B12R2.24 c1ccc2cc(ccc2c1)Br TS00852 [0,1,0,0,0,0|1,0,0]=2 125 B12R2.24 c1ccc2cc(ccc2c1)Cl TS11632 [0,1,0,0,0,0|1,0,0]=2 126 B12R2.24 c1ccc2cc(ccc2c1)F TS40407 [0,1,0,0,0,0|1,0,0]=2 127 B12R2.24 c1ccc2cc(ccc2c1)I TS63321 [0,1,0,0,0,0|1,0,0]=2 128 B12R2.24 c1ccc2cc(ccc2c1)N TS00813 [0,1,0,0,0,0|1,0,0]=2 129 B12R2.24 c1ccc2cc(ccc2c1)O TS39906 [0,1,0,0,0,0|1,0,0]=2 130 B12R2.24 c1ccc2cc(ccc2c1)S TS11296 [0,1,0,0,0,0|1,0,0]=2 131 B12R2.24 c1ccc2cn(=O)ccc2c1 TS56198 [0,1,0,0,0,0|2,0,0]=3 132 B12R2.24 c1ccc2cnc(cc2c1)Br TS65951 [0,1,0,0,0,0|2,0,0]=3 133 B12R2.24 c1ccc2cnc(cc2c1)Cl TS02718 [0,1,0,0,0,0|2,0,0]=3 134 B12R2.24 c1ccc2cnc(cc2c1)Cl TS40291 [0,1,0,0,0,0|2,0,0]=3 135 B12R2.24 c1ccc2cnc(cc2c1)N TS40187 [0,1,0,0,0,0|2,0,0]=3 136 B12R2.24 c1ccc2cnc(cc2c1)O TS70624 [0,1,0,0,0,0|2,0,0]=3 137 B12R2.24 c1cnc2c(n1)cc(cn2)Br TS43722 [0,1,0,0,0,0|2,0,0]=3 138 B12R2.24 c1cncc2c1cnc(n2)Cl TS85807 [0,1,0,0,0,0|2,0,0]=3 139 B12R2.1081 C[n+]1cccc2c1cccc2 TS28781 [0,1,0,0,0,0|0,0,1]=2 140 B12R2.1081 Cc1c2ccccc2ccn1 TS00053 [0,1,0,0,0,0|2,0,0]=3 141 B12R2.1081 Cc1cccc2c1cccc2 TS00494 [0,1,0,0,0,0|1,0,0]=2 142 B12R2.1081 Cc1cccc2c1cncc2 TS06873 [0,1,0,0,0,0|2,0,0]=3 143 B12R2.1081 Cc1cccc2c1nccc2 TS55712 [0,1,0,0,0,0|0,0,0]=1 144 B12R2.1081 Cc1cccc2c1nccn2 TS40181 [0,1,0,0,0,0|1,0,0]=2 145 B12R2.1081 Cc1cccc2c1nncc2 TS40182 [0,1,0,0,0,0|1,0,0]=2 146 B12R2.1081 Cc1ccnc2c1cccc2 TS01522 [0,1,0,0,0,0|0,0,0]=1 147 B12R2.1081 Cc1ccnc2c1cccc2 TS64278 [0,1,0,0,0,0|0,0,0]=1 148 B12R2.1081 Cc1ccnc2c1cccn2 TS40193 [0,1,0,0,0,0|1,0,0]=2 149 B12R2.1081 Cc1cncc2c1cccc2 TS06874 [0,1,0,0,0,0|2,0,0]=3 150 B12R2.1081 c1c2c(ncnc2ncn1)N TS07307 [0,1,0,0,0,0|3,0,0]=4 151 B12R2.1081 c1c[nH]c(=O)c2c1ccnc2 TS89677 [0,1,0,0,0,0|3,0,0]=4 152 B12R2.1081 c1c[nH]c(=O)c2c1cncc2 TS94432 [0,1,0,0,0,0|3,0,0]=4 153 B12R2.1081 c1c[nH]c2cnccc2c1=O TS87091 [0,1,0,0,0,0|1,0,1]=3 154 B12R2.1081 c1cc(c2cccnc2c1)N TS71389 [0,1,0,0,0,0|0,0,0]=1 155 B12R2.1081 c1cc2c([nH]cnc2=O)nc1 TS01663 [0,1,0,0,0,0|2,0,0]=3 156 B12R2.1081 c1cc2c(c(c1)Br)nccn2 TS94090 [0,1,0,0,0,0|1,0,0]=2 157 B12R2.1081 c1cc2c(c(c1)Cl)CCC=C2 TS11961 [0,1,0,0,0,0|1,0,1]=3 158 B12R2.1081 c1cc2c(c(c1)F)CCC=C2 TS07449 [0,1,0,0,0,0|1,0,1]=3 159 B12R2.1081 c1cc2c(c(c1)O)CC=CC2 TS07217 [0,1,0,0,0,0|1,0,1]=3 160 B12R2.1081 c1cc2c(c(c1)O)nccn2 TS03345 [0,1,0,0,0,0|1,0,0]=2 161 B12R2.1081 c1cc2c(c(ncn2)Cl)nc1 TS71075 [0,1,0,0,0,0|2,0,0]=3 162 B12R2.1081 c1cc2c(cc[nH]c2=O)nc1 TS85974 [0,1,0,0,0,0|1,0,0]=2 163 B12R2.1081 c1cc2c(cccn2)c(c1)Br TS09819 [0,1,0,0,0,0|0,0,0]=1 164 B12R2.1081 c1cc2c(cccn2)c(c1)Cl TS39771 [0,1,0,0,0,0|0,0,0]=1 165 B12R2.1081 c1cc2c(cccn2)c(c1)F TS07312 [0,1,0,0,0,0|0,0,0]=1 166 B12R2.1081 c1cc2c(cccn2)c(c1)O TS07092 [0,1,0,0,0,0|0,0,0]=1 167 B12R2.1081 c1cc2c(ccnc2Cl)nc1 TS42832 [0,1,0,0,0,0|1,0,0]=2 168 B12R2.1081 c1cc2c(cncn2)c(c1)Br TS89311 [0,1,0,0,0,0|1,0,0]=2 169 B12R2.1081 c1cc2c(nc1)C(=O)CCC2 TS07350 [0,1,0,0,0,0|0,0,3]=4 170 B12R2.1081 c1cc2c(nc1)CCCC2=O TS01291 [0,1,0,0,0,0|0,0,3]=4 171 B12R2.1081 c1cc2c(nc1)NCCC2=O TS07434 [0,1,0,0,0,0|1,0,2]=4 172 B12R2.1081 c1cc2c(nc1)ncnc2Cl TS71074 [0,1,0,0,0,0|2,0,0]=3 173 B12R2.1081 c1cc2cccnc2c(c1)Br TS01320 [0,1,0,0,0,0|0,0,0]=1 174 B12R2.1081 c1cc2cccnc2c(c1)Cl TS55700 [0,1,0,0,0,0|0,0,0]=1 175 B12R2.1081 c1cc2cccnc2c(c1)F TS33204 [0,1,0,0,0,0|0,0,0]=1 176 B12R2.1081 c1cc2cccnc2c(c1)I TS28721 [0,1,0,0,0,0|0,0,0]=1 177 B12R2.1081 c1cc2cccnc2c(c1)N TS01310 [0,1,0,0,0,0|0,0,0]=1 178 B12R2.1081 c1cc2cccnc2c(c1)O TS27898 [0,1,0,0,0,0|0,0,0]=1 179 B12R2.1081 c1cc2cccnc2c(c1)O TS59629 [0,1,0,0,0,0|0,0,0]=1 180 B12R2.1081 c1cc2cccnc2c(c1)O TS81282 [0,1,0,0,0,0|0,0,0]=1 181 B12R2.1081 c1cc2cccnc2c(c1)O TS82566 [0,1,0,0,0,0|0,0,0]=1 182 B12R2.1081 c1cc2cccnc2c(c1)S TS53924 [0,1,0,0,0,0|0,0,0]=1 183 B12R2.1081 c1cc2cccnc2c(c1)[O-] TS43188 [0,1,0,0,0,0|0,0,0]=1 184 B12R2.1081 c1cc2ccnc(c2nc1)N TS32758 [0,1,0,0,0,0|1,0,0]=2 185 B12R2.1081 c1cc2ccncc2c(c1)Br TS01318 [0,1,0,0,0,0|2,0,0]=3 186 B12R2.1081 c1cc2ccncc2c(c1)Cl TS39366 [0,1,0,0,0,0|2,0,0]=3 187 B12R2.1081 c1cc2ccncc2c(c1)F TS07311 [0,1,0,0,0,0|2,0,0]=3 188 B12R2.1081 c1cc2ccncc2c(c1)N TS01308 [0,1,0,0,0,0|2,0,0]=3 189 B12R2.1081 c1cc2ccncc2c(c1)O TS07090 [0,1,0,0,0,0|2,0,0]=3 190 B12R2.1081 c1cc2cncc(c2nc1)Br TS86045 [0,1,0,0,0,0|1,0,0]=2 191 B12R2.1081 c1cc2cnccc2c(c1)Br TS09807 [0,1,0,0,0,0|2,0,0]=3 192 B12R2.1081 c1cc2cnccc2c(c1)Cl TS71517 [0,1,0,0,0,0|2,0,0]=3 193 B12R2.1081 c1cc2cnccc2c(c1)N TS71376 [0,1,0,0,0,0|2,0,0]=3 194 B12R2.1081 c1cc2cnccc2c(c1)O TS07091 [0,1,0,0,0,0|2,0,0]=3 195 B12R2.1081 c1cc2cncnc2c(c1)Cl TS11948 [0,1,0,0,0,0|1,0,0]=2 196 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 TS00567 [0,1,0,0,0,0|0,0,3]=4 197 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 TS71085 [0,1,0,0,0,0|1,0,2]=4 198 B12R2.1081 c1ccc2c(c1)C(=O)CCS2 TS00277 [0,1,0,0,0,0|1,0,2]=4 199 B12R2.1081 c1ccc2c(c1)CCCC2=O TS07218 [0,1,0,0,0,0|1,0,2]=4 200 B12R2.1081 c1ccc2c(c1)CCNC2=O TS02547 [0,1,0,0,0,0|2,0,1]=4 201 B12R2.1081 c1ccc2c(c1)CCNC2=S TS42620 [0,1,0,0,0,0|2,0,1]=4 202 B12R2.1081 c1ccc2c(c1)CCOC2=O TS77141 [0,1,0,0,0,0|2,0,1]=4 203 B12R2.1081 c1ccc2c(c1)COC=C2O TS07416 [0,1,0,0,0,0|2,0,0]=3 204 B12R2.1081 c1ccc2c(c1)COCC2=O TS86678 [0,1,0,0,0,0|2,0,1]=4 205 B12R2.1081 c1ccc2c(c1)c(=O)cco2 TS07175 [0,1,0,0,0,0|1,0,0]=2 206 B12R2.1081 c1ccc2c(c1)c(ccn2)Br TS09615 [0,1,0,0,0,0|0,0,0]=1 207 B12R2.1081 c1ccc2c(c1)c(ccn2)Cl TS71079 [0,1,0,0,0,0|0,0,0]=1 208 B12R2.1081 c1ccc2c(c1)c(ccn2)I TS39753 [0,1,0,0,0,0|0,0,0]=1 209 B12R2.1081 c1ccc2c(c1)c(ccn2)N TS70924 [0,1,0,0,0,0|0,0,0]=1 210 B12R2.1081 c1ccc2c(c1)c(ccn2)O TS93944 [0,1,0,0,0,0|0,0,0]=1 211 B12R2.1081 c1ccc2c(c1)c(ccn2)S TS71197 [0,1,0,0,0,0|0,0,0]=1 212 B12R2.1081 c1ccc2c(c1)c(ncn2)Cl TS71078 [0,1,0,0,0,0|1,0,0]=2 213 B12R2.1081 c1ccc2c(c1)c(ncn2)N TS40307 [0,1,0,0,0,0|1,0,0]=2 214 B12R2.1081 c1ccc2c(c1)cccc2Br TS20310 [0,1,0,0,0,0|1,0,0]=2 215 B12R2.1081 c1ccc2c(c1)cccc2Cl TS11631 [0,1,0,0,0,0|1,0,0]=2 216 B12R2.1081 c1ccc2c(c1)cccc2F TS60210 [0,1,0,0,0,0|1,0,0]=2 217 B12R2.1081 c1ccc2c(c1)cccc2I TS63322 [0,1,0,0,0,0|1,0,0]=2 218 B12R2.1081 c1ccc2c(c1)cccc2N TS39905 [0,1,0,0,0,0|1,0,0]=2 219 B12R2.1081 c1ccc2c(c1)cccc2N TS47802 [0,1,0,0,0,0|1,0,0]=2 220 B12R2.1081 c1ccc2c(c1)cccc2O TS47010 [0,1,0,0,0,0|1,0,0]=2 221 B12R2.1081 c1ccc2c(c1)cccc2S TS11301 [0,1,0,0,0,0|1,0,0]=2 222 B12R2.1081 c1ccc2c(c1)ccnc2Br TS00419 [0,1,0,0,0,0|2,0,0]=3 223 B12R2.1081 c1ccc2c(c1)ccnc2Cl TS46936 [0,1,0,0,0,0|2,0,0]=3 224 B12R2.1081 c1ccc2c(c1)cn[nH]c2=O TS59343 [0,1,0,0,0,0|3,0,0]=4 225 B12R2.1081 c1ccc2c(c1)cn[nH]c2=S TS11574 [0,1,0,0,0,0|3,0,0]=4 226 B12R2.1081 c1ccc2c(c1)cncc2Br TS09609 [0,1,0,0,0,0|2,0,0]=3 227 B12R2.1081 c1ccc2c(c1)cncc2F TS07309 [0,1,0,0,0,0|2,0,0]=3 228 B12R2.1081 c1ccc2c(c1)cncc2N TS02995 [0,1,0,0,0,0|2,0,0]=3 229 B12R2.1081 c1ccc2c(c1)cncc2O TS03125 [0,1,0,0,0,0|2,0,0]=3 230 B12R2.1081 c1ccc2c(c1)cnnc2Cl TS11949 [0,1,0,0,0,0|3,0,0]=4 231 B12R2.1081 c1cnc(c2c1nccn2)Cl TS42967 [0,1,0,0,0,0|2,0,0]=3 232 B12R2.1081 c1cnc2c(n1)c(ncn2)O TS40605 [0,1,0,0,0,0|3,0,0]=4 233 B12R2.1081 c1cnc2ccncc2c1N TS40304 [0,1,0,0,0,0|1,0,0]=2 234 B12R2.1081 c1cncc2c1c(ccn2)Cl TS89403 [0,1,0,0,0,0|1,0,0]=2 235 B12R2.1081 c1cncc2c1c(ncn2)Cl TS71076 [0,1,0,0,0,0|2,0,0]=3 236 B12R2.1081 c1cncc2c1ccnc2Cl TS90648 [0,1,0,0,0,0|3,0,0]=4 237 B12R2.1081 c1cncc2c1nc[nH]c2=O TS88320 [0,1,0,0,0,0|2,0,0]=3 238 B12R2.1081 c1cncc2c1nccc2Cl TS90010 [0,1,0,0,0,0|1,0,0]=2 239 B12R2.1081 c1cncc2c1nccc2O TS07192 [0,1,0,0,0,0|1,0,0]=2 240 B12R2.1081 c1cncc2c1ncnc2Cl TS42968 [0,1,0,0,0,0|2,0,0]=3 241 B12R2.1081 c1cnnc2c1c(=O)[nH]cn2 TS01669 [0,1,0,0,0,0|3,0,0]=4 242 B10R1.4 C=CCc1ccccc1Cl TS41221 [0,0,1,0,0,0|1,0,1]=3 243 B10R1.4 C=CCc1ccccc1O TS36846 [0,0,1,0,0,0|1,0,1]=3 244 B10R1.4 C=CCn1ccccc1=O TS36913 [0,0,1,0,0,0|2,0,1]=4 245 B10R1.4 CC=Cc1ccccc1O TS36834 [0,0,1,0,0,0|1,0,1]=3 246 B10R1.4 Cc1ccccc1CC=C TS05766 [0,0,1,0,0,0|1,0,1]=3 247 B10R1.4 Cc1ccccc1N=C=O TS16709 [0,0,1,0,0,0|1,0,2]=4 248 B10R1.4 Cc1ccccc1N=C=S TS40763 [0,0,1,0,0,0|1,0,2]=4 249 B10R1.4 Cc1ccccc1NC=O TS36923 [0,0,1,0,0,0|1,0,2]=4 250 B10R1.4 c1cc(c(nc1)N)C=NO TS13415 [0,0,1,0,0,0|3,0,0]=4 251 B10R1.4 c1ccc(c(c1)C=NN)O TS06061 [0,0,1,0,0,0|3,0,0]=4 252 B10R1.4 c1ccc(c(c1)C=NO)Br TS18942 [0,0,1,0,0,0|3,0,0]=4 253 B10R1.4 c1ccc(c(c1)C=NO)Cl TS10612 [0,0,1,0,0,0|3,0,0]=4 254 B10R1.4 c1ccc(c(c1)C=NO)F TS37272 [0,0,1,0,0,0|3,0,0]=4 255 B10R1.4 c1ccc(c(c1)C=NO)O TS06160 [0,0,1,0,0,0|3,0,0]=4 256 B10R1.4 c1ccc(c(c1)N=C=O)Br TS53946 [0,0,1,0,0,0|2,0,1]=4 257 B10R1.4 c1ccc(c(c1)N=C=O)Cl TS10358 [0,0,1,0,0,0|2,0,1]=4 258 B10R1.4 c1ccc(c(c1)N=C=O)F TS37082 [0,0,1,0,0,0|2,0,1]=4 259 B10R1.4 c1ccc(c(c1)N=C=O)I TS62099 [0,0,1,0,0,0|2,0,1]=4 260 B10R1.4 c1ccc(c(c1)N=C=S)Br TS44458 [0,0,1,0,0,0|2,0,1]=4 261 B10R1.4 c1ccc(c(c1)N=C=S)Cl TS12736 [0,0,1,0,0,0|2,0,1]=4 262 B10R1.4 c1ccc(c(c1)N=C=S)F TS41282 [0,0,1,0,0,0|2,0,1]=4 263 B10R1.4 c1ccc(c(c1)NC=O)Cl TS10621 [0,0,1,0,0,0|2,0,1]=4 264 B10R1.4 c1ccc(c(c1)NC=O)O TS37102 [0,0,1,0,0,0|2,0,1]=4 265 B10R1.17 C=CC=Cc1ccccc1 TS36510 [0,0,1,0,0,0|1,0,0]=2 266 B10R1.17 C=CCCc1ccccc1 TS36707 [0,0,1,0,0,0|1,0,1]=3 267 B10R1.17 C=CCCc1ccncc1 TS36777 [0,0,1,0,0,0|2,0,1]=4 268 B10R1.17 C=CCNc1ccccc1 TS05848 [0,0,1,0,0,0|0,0,2]=3 269 B10R1.17 C=CCOc1ccccc1 TS36847 [0,0,1,0,0,0|1,0,1]=3 270 B10R1.17 C=CCOc1ccccn1 TS36929 [0,0,1,0,0,0|1,0,1]=3 271 B10R1.17 C=CCSc1ccccc1 TS40921 [0,0,1,0,0,0|1,0,1]=3 272 B10R1.17 CC=CCc1ccccc1 TS36709 [0,0,1,0,0,0|1,0,1]=3 273 B10R1.17 CCC=Cc1ccccc1 TS36700 [0,0,1,0,0,0|1,0,1]=3 274 B10R1.17 CCN=Cc1ccccc1 TS05847 [0,0,1,0,0,0|2,0,1]=4 275 B10R1.17 COC=Cc1ccccc1 TS36842 [0,0,1,0,0,0|2,0,0]=3 276 B10R1.17 COC=Nc1ccccc1 TS36922 [0,0,1,0,0,0|1,0,1]=3 277 B10R1.17 c1cc(cnc1)C=CC=O TS36746 [0,0,1,0,0,0|1,0,0]=2 278 B10R1.17 c1cc(cnc1)C=CCCl TS12428 [0,0,1,0,0,0|1,0,1]=3 279 B10R1.17 c1ccc(cc1)C#CC=O TS05539 [0,0,1,0,0,0|1,0,2]=4 280 B10R1.17 c1ccc(cc1)C=CC#N TS05462 [0,0,1,0,0,0|0,0,2]=3 281 B10R1.17 c1ccc(cc1)C=CC=O TS39725 [0,0,1,0,0,0|1,0,0]=2 282 B10R1.17 c1ccc(cc1)C=CCBr TS53806 [0,0,1,0,0,0|1,0,1]=3 283 B10R1.17 c1ccc(cc1)C=CCCl TS41222 [0,0,1,0,0,0|1,0,1]=3 284 B10R1.17 c1ccc(cc1)C=CCO TS36831 [0,0,1,0,0,0|1,0,1]=3 285 B10R1.17 c1ccc(cc1)CCC=O TS01796 [0,0,1,0,0,0|1,0,2]=4 286 B10R1.17 c1ccc(cc1)CNC=O TS36937 [0,0,1,0,0,0|2,0,1]=4 287 B10R1.17 c1ccc(cc1)COC=O TS36984 [0,0,1,0,0,0|2,0,1]=4 288 B10R1.17 c1ccc(cc1)NNC=O TS06048 [0,0,1,0,0,0|2,0,1]=4 289 B10R1.17 c1ccc(cc1)OCC=O TS36991 [0,0,1,0,0,0|2,0,1]=4 290 B10R1.20 C#Cc1ccccc1C=O TS36474 [0,0,1,0,0,0|2,0,1]=4 291 B10R1.20 C=Cc1ccccc1C=C TS36515 [0,0,1,0,0,0|1,0,0]=2 292 B10R1.20 CCc1ccccc1C=O TS36837 [0,0,1,0,0,0|2,0,1]=4 293 B10R1.20 CNc1c(cccn1)C=O TS06056 [0,0,1,0,0,0|2,0,1]=4 294 B10R1.20 COc1c(cccn1)C=O TS55430 [0,0,1,0,0,0|2,0,1]=4 295 B10R1.20 COc1ccccc1C=C TS36839 [0,0,1,0,0,0|1,0,1]=3 296 B10R1.20 COc1ccccc1C=O TS00088 [0,0,1,0,0,0|2,0,1]=4 297 B10R1.20 COc1cccnc1C=O TS06166 [0,0,1,0,0,0|2,0,1]=4 298 B10R1.20 c1cc(c(nc1)C#N)C=O TS39304 [0,0,1,0,0,0|2,0,1]=4 299 B10R1.20 c1cc(c(nc1)CN)C=O TS06068 [0,0,1,0,0,0|2,0,1]=4 300 B10R1.20 c1ccc(c(c1)C=O)C#N TS55300 [0,0,1,0,0,0|3,0,0]=4 301 B10R1.20 c1ccc(c(c1)C=O)C=O TS55742 [0,0,1,0,0,0|3,0,0]=4 302 B10R1.20 c1ccc(c(c1)CBr)C=O TS54151 [0,0,1,0,0,0|3,0,0]=4 303 B10R2.7 B1Oc2ccccc2O1 TS39809 [0,0,0,0,1,0|3,0,0]=4 304 B10R2.7 c1c2c(nc[nH]2)ncn1 TS32419 [0,0,0,0,1,0|3,0,0]=4 305 B10R2.7 c1c2c(ncn1)CN=C2 TS04783 [0,0,0,0,1,0|2,0,1]=4 306 B10R2.7 c1c2cn[nH]c2ncn1 TS32418 [0,0,0,0,1,0|3,0,0]=4 307 B10R2.7 c1c[nH]c2c1ccnc2 TS01216 [0,0,0,0,1,0|1,0,1]=3 308 B10R2.7 c1c[nH]c2c1ccnn2 TS87458 [0,0,0,0,1,0|2,0,0]=3 309 B10R2.7 c1c[nH]c2c1cncc2 TS71394 [0,0,0,0,1,0|1,0,1]=3 310 B10R2.7 c1c[nH]c2c1cncn2 TS16522 [0,0,0,0,1,0|2,0,0]=3 311 B10R2.7 c1c[nH]c2c1nccn2 TS70840 [0,0,0,0,1,0|2,0,0]=3 312 B10R2.7 c1c[nH]c2c1ncnc2 TS71563 [0,0,0,0,1,0|2,0,0]=3 313 B10R2.7 c1cc2c(cc[nH]2)nc1 TS70929 [0,0,0,0,1,0|1,0,0]=2 314 B10R2.7 c1cc2c(cco2)nc1 TS89676 [0,0,0,0,1,0|1,0,0]=2 315 B10R2.7 c1cc2c(ccs2)nc1 TS89324 [0,0,0,0,1,0|1,0,0]=2 316 B10R2.7 c1cc2c(cn[nH]2)nc1 TS39228 [0,0,0,0,1,0|2,0,0]=3 317 B10R2.7 c1cc2c(nc1)CCC2 TS00545 [0,0,0,0,1,0|0,0,3]=4 318 B10R2.7 c1cc2c(nc1)CNC2 TS01200 [0,0,0,0,1,0|1,0,2]=4 319 B10R2.7 c1cc2c(nc1)CNC2 TS90710 [0,0,0,0,1,0|1,0,2]=4 320 B10R2.7 c1cc2c(nc1)NCC2 TS55646 [0,0,0,0,1,0|1,0,2]=4 321 B10R2.7 c1cc2c(nc1)nn[nH]2 TS32417 [0,0,0,0,1,0|3,0,0]=4 322 B10R2.7 c1cc2cc[nH]c2nc1 TS01299 [0,0,0,0,1,0|1,0,0]=2 323 B10R2.7 c1cc2cn[nH]c2nc1 TS04782 [0,0,0,0,1,0|2,0,0]=3 324 B10R2.7 c1ccc2c(c1)CC=C2 TS21648 [0,0,0,0,1,0|0,0,1]=2 325 B10R2.7 c1ccc2c(c1)CC=C2 TS39603 [0,0,0,0,1,0|0,0,1]=2 326 B10R2.7 c1ccc2c(c1)CCC2 TS77139 [0,0,0,0,1,0|0,0,3]=4 327 B10R2.7 c1ccc2c(c1)CCN2 TS00565 [0,0,0,0,1,0|0,0,3]=4 328 B10R2.7 c1ccc2c(c1)CCO2 TS00572 [0,0,0,0,1,0|1,0,2]=4 329 B10R2.7 c1ccc2c(c1)CNN2 TS04812 [0,0,0,0,1,0|1,0,2]=4 330 B10R2.7 c1ccc2c(c1)COC2 TS04810 [0,0,0,0,1,0|1,0,2]=4 331 B10R2.7 c1ccc2c(c1)NCN2 TS04813 [0,0,0,0,1,0|1,0,2]=4 332 B10R2.7 c1ccc2c(c1)OCO2 TS39811 [0,0,0,0,1,0|2,0,1]=4 333 B10R2.7 c1ccc2c(c1)SCS2 TS26450 [0,0,0,0,1,0|2,0,1]=4 334 B10R2.7 c1ccc2c(c1)[nH]cn2 TS04721 [0,0,0,0,1,0|1,0,0]=2 335 B10R2.7 c1ccc2c(c1)[nH]nn2 TS04780 [0,0,0,0,1,0|2,0,0]=3 336 B10R2.7 c1ccc2c(c1)cc[nH]2 TS59671 [0,0,0,0,1,0|0,0,1]=2 337 B10R2.7 c1ccc2c(c1)cc[se]2 TS48035 [0,0,0,0,1,0|1,0,0]=2 338 B10R2.7 c1ccc2c(c1)cco2 TS39813 [0,0,0,0,1,0|1,0,0]=2 339 B10R2.7 c1ccc2c(c1)ccs2 TS55756 [0,0,0,0,1,0|1,0,0]=2 340 B10R2.7 c1ccc2c(c1)cn[nH]2 TS04722 [0,0,0,0,1,0|1,0,1]=3 341 B10R2.7 c1ccc2c(c1)cn[nH]2 TS72162 [0,0,0,0,1,0|1,0,1]=3 342 B10R2.7 c1ccc2c(c1)cno2 TS32395 [0,0,0,0,1,0|2,0,0]=3 343 B10R2.7 c1ccc2c(c1)cns2 TS06001 [0,0,0,0,1,0|2,0,0]=3 344 B10R2.7 c1ccc2c(c1)con2 TS32394 [0,0,0,0,1,0|1,0,0]=2 345 B10R2.7 c1ccc2c(c1)nco2 TS32393 [0,0,0,0,1,0|1,0,0]=2 346 B10R2.7 c1ccc2c(c1)ncs2 TS05999 [0,0,0,0,1,0|1,0,0]=2 347 B10R2.7 c1ccc2c(c1)nns2 TS37006 [0,0,0,0,1,0|2,0,0]=3 348 B10R2.7 c1ccc2c(c1)non2 TS47106 [0,0,0,0,1,0|2,0,0]=3 349 B10R2.7 c1ccc2c(c1)nsn2 TS85179 [0,0,0,0,1,0|2,0,0]=3 350 B10R2.7 c1ccn2c(c1)ccn2 TS04725 [0,0,0,0,1,0|1,0,0]=2 351 B10R2.7 c1ccn2cccc2c1 TS04676 [0,0,0,0,1,0|1,0,0]=2 352 B10R2.7 c1ccn2ccnc2c1 TS56184 [0,0,0,0,1,0|1,0,0]=2 353 B10R2.7 c1ccn2cncc2c1 TS01484 [0,0,0,0,1,0|2,0,0]=3 354 B10R2.7 c1cn2ccnc2cn1 TS56181 [0,0,0,0,1,0|2,0,0]=3 355 B10R2.7 c1cnc-2nc[nH]cc12 TS04778 [0,0,0,0,1,0|2,0,0]=3 356 B10R2.7 c1cnc2ccnn2c1 TS88132 [0,0,0,0,1,0|2,0,0]=3 357 B10R2.7 c1cnc2nccn2c1 TS59647 [0,0,0,0,1,0|2,0,0]=3 358 B10R2.7 c1cnc2ncnn2c1 TS32416 [0,0,0,0,1,0|3,0,0]=4 359 B10R2.7 c1cncc2c1[nH]nc2 TS88164 [0,0,0,0,1,0|2,0,1]=4 360 B10R2.7 c1cncc2c1cn[nH]2 TS00456 [0,0,0,0,1,0|2,0,1]=4 361 B10R2.7 c1cncc2c1nc[nH]2 TS88066 [0,0,0,0,1,0|2,0,0]=3 362 B12R2.41 c1ccc2c(c1)CCCC=C2 TS06996 [0,0,0,0,0,1|1,0,1]=3 363 B12R2.2017 c1ccc2ccccc(c1)C2 TS06722 [0,0,0,0,0,1|1,0,0]=2 364 B12R2.2017 c1ccc2ccccc(c1)O2 TS06958 [0,0,0,0,0,1|1,0,0]=2 365 B9R1.8 C=CC[n+]1ccccc1 TS37844 [1,0,1,0,0,0|1,0,1]=4 366 B9R1.8 C=CCc1ccccc1 TS32347 [1,0,1,0,0,0|0,0,1]=3 367 B9R1.8 C=CSc1ccccc1 TS06113 [1,0,1,0,0,0|1,0,0]=3 368 B9R1.8 CC=Cc1ccccc1 TS32346 [1,0,1,0,0,0|0,0,1]=3 369 B9R1.8 c1cc(cnc1)C=NO TS32495 [1,0,1,0,0,0|2,0,0]=4 370 B9R1.8 c1ccc(cc1)C=CBr TS48378 [1,0,1,0,0,0|1,0,0]=3 371 B9R1.8 c1ccc(cc1)C=CCl TS37253 [1,0,1,0,0,0|1,0,0]=3 372 B9R1.8 c1ccc(cc1)C=CN TS55760 [1,0,1,0,0,0|0,0,1]=3 373 B9R1.8 c1ccc(cc1)C=N#N TS04720 [1,0,1,0,0,0|1,0,1]=4 374 B9R1.8 c1ccc(cc1)C=NN TS04817 [1,0,1,0,0,0|1,0,1]=4 375 B9R1.8 c1ccc(cc1)N=C=O TS32396 [1,0,1,0,0,0|1,0,1]=4 376 B9R1.8 c1ccc(cc1)N=C=S TS06000 [1,0,1,0,0,0|1,0,1]=4 377 B9R1.8 c1ccc(cc1)N=[N+]=[N-] TS04781 [1,0,1,0,0,0|2,0,0]=4 378 B9R1.8 c1ccc(cc1)NC=O TS04863 [1,0,1,0,0,0|1,0,1]=4 379 B9R1.8 c1ccc(cc1)OC=O TS32488 [1,0,1,0,0,0|2,0,0]=4 380 B9R1.8 c1ccnc(c1)C=NO TS53320 [1,0,1,0,0,0|2,0,0]=4 381 B9R1.8 c1ccnc(c1)C=NO TS94195 [1,0,1,0,0,0|2,0,0]=4 382 B9R1.8 c1ccnc(c1)NC=O TS32499 [1,0,1,0,0,0|2,0,0]=4 383 B9R1.15 C=Cc1ccccc1Br TS55173 [1,0,1,0,0,0|1,0,0]=3 384 B9R1.15 C=Cc1ccccc1Cl TS00968 [1,0,1,0,0,0|1,0,0]=3 385 B9R1.15 C=Cc1ccccc1F TS32504 [1,0,1,0,0,0|1,0,0]=3 386 B9R1.15 C=Cc1ccccc1I TS24807 [1,0,1,0,0,0|1,0,0]=3 387 B9R1.15 Cc1c(cccn1)C=O TS02436 [1,0,1,0,0,0|1,0,1]=4 388 B9R1.15 Cc1ccccc1C=C TS02453 [1,0,1,0,0,0|0,0,1]=3 389 B9R1.15 Cc1ccccc1C=O TS04808 [1,0,1,0,0,0|1,0,1]=4 390 B9R1.15 Cc1cccnc1C=O TS70677 [1,0,1,0,0,0|1,0,1]=4 391 B9R1.15 c1cc(c(nc1)Br)C=O TS08314 [1,0,1,0,0,0|2,0,0]=4 392 B9R1.15 c1cc(c(nc1)C=O)Cl TS85387 [1,0,1,0,0,0|2,0,0]=4 393 B9R1.15 c1cc(c(nc1)C=O)F TS70563 [1,0,1,0,0,0|2,0,0]=4 394 B9R1.15 c1cc(c(nc1)C=O)N TS32498 [1,0,1,0,0,0|2,0,0]=4 395 B9R1.15 c1cc(c(nc1)C=O)O TS02794 [1,0,1,0,0,0|2,0,0]=4 396 B9R1.15 c1cc(c(nc1)Cl)C=O TS55210 [1,0,1,0,0,0|2,0,0]=4 397 B9R1.15 c1cc(c(nc1)F)C=O TS55324 [1,0,1,0,0,0|2,0,0]=4 398 B9R1.15 c1cc(c(nc1)O)C=O TS09407 [1,0,1,0,0,0|2,0,0]=4 399 B9R1.15 c1ccc(c(c1)C=O)Br TS55151 [1,0,1,0,0,0|2,0,0]=4 400 B9R1.15 c1ccc(c(c1)C=O)Cl TS00949 [1,0,1,0,0,0|2,0,0]=4 401 B9R1.15 c1ccc(c(c1)C=O)F TS01019 [1,0,1,0,0,0|2,0,0]=4 402 B9R1.15 c1ccc(c(c1)C=O)I TS02011 [1,0,1,0,0,0|2,0,0]=4 403 B9R1.15 c1ccc(c(c1)C=O)N TS10911 [1,0,1,0,0,0|1,0,1]=4 404 B9R1.15 c1ccc(c(c1)C=O)N TS47463 [1,0,1,0,0,0|1,0,1]=4 405 B9R1.15 c1ccc(c(c1)C=O)O TS32489 [1,0,1,0,0,0|2,0,0]=4 406 B11R1.13 C=CCc1cccc(c1O)Cl TS44953 [0,1,1,0,0,0|1,0,1]=4 407 B11R1.13 Cc1cccc(c1O)CC=C TS07465 [0,1,1,0,0,0|1,0,1]=4 408 B11R1.17 C=CCCc1ccccc1Br TS43954 [0,1,1,0,0,0|1,0,1]=4 409 B11R1.17 C=CCOc1ccccc1Cl TS44954 [0,1,1,0,0,0|1,0,1]=4 410 B11R1.17 C=CCOc1ccccc1O TS09860 [0,1,1,0,0,0|1,0,1]=4 411 B11R1.17 c1ccc(c(c1)C=CC=O)Br TS21065 [0,1,1,0,0,0|1,0,0]=3 412 B11R1.17 c1ccc(c(c1)C=CC=O)Cl TS12303 [0,1,1,0,0,0|1,0,0]=3 413 B11R1.17 c1ccc(c(c1)C=CC=O)O TS07424 [0,1,1,0,0,0|1,0,0]=3 414 B11R1.41 C=CCc1ccccc1CO TS07463 [0,1,1,0,0,0|1,0,1]=4 415 B11R1.41 COc1ccccc1CC=C TS07469 [0,1,1,0,0,0|1,0,1]=4 416 B11R1.182 C=CCc1cc(ccc1O)Cl TS44950 [0,1,1,0,0,0|1,0,1]=4 417 B11R1.1 C=CCCc1ccc(cc1)F TS40882 [0,1,1,0,0,0|1,0,1]=4 418 B11R1.1 C=CCOc1ccc(cc1)Cl TS40001 [0,1,1,0,0,0|1,0,1]=4 419 B11R1.1 Cc1ccc(cc1)CCC=C TS07263 [0,1,1,0,0,0|1,0,1]=4 420 B11R1.1 Cc1ccc(cc1)OCC=C TS40652 [0,1,1,0,0,0|1,0,1]=4 421 B11R1.1 c1cc(ccc1C=CC#N)F TS07310 [0,1,1,0,0,0|0,0,2]=4 422 B11R1.1 c1cc(ccc1C=CC#N)O TS07078 [0,1,1,0,0,0|0,0,2]=4 423 B11R1.1 c1cc(ccc1C=CC=O)Br TS21058 [0,1,1,0,0,0|1,0,0]=3 424 B11R1.1 c1cc(ccc1C=CC=O)Cl TS12306 [0,1,1,0,0,0|1,0,0]=3 425 B11R1.1 c1cc(ccc1C=CC=O)F TS03090 [0,1,1,0,0,0|1,0,0]=3 426 B11R1.16 C=CCC(c1ccccc1)O TS07476 [0,1,1,0,0,0|1,0,1]=4 427 B11R1.16 C=CCS(=O)c1ccccc1 TS12278 [0,1,1,0,0,0|1,0,1]=4 428 B11R1.16 C=COC(=O)c1ccccc1 TS07417 [0,1,1,0,0,0|2,0,0]=4 429 B11R1.16 CC(=CCO)c1ccccc1 TS07480 [0,1,1,0,0,0|1,0,1]=4 430 B11R1.16 CC=CC(=O)c1ccccc1 TS07230 [0,1,1,0,0,0|1,0,0]=3 431 B11R1.16 CC=CC(c1ccccc1)O TS07464 [0,1,1,0,0,0|1,0,1]=4 432 B11R1.16 CCC=C(C)c1ccccc1 TS07266 [0,1,1,0,0,0|1,0,1]=4 433 B11R1.16 CN(CC=C)c1ccccc1 TS40564 [0,1,1,0,0,0|0,0,2]=4 434 B11R1.16 c1ccc(cc1)C(=CC#N)Cl TS11769 [0,1,1,0,0,0|0,0,2]=4 435 B11R1.16 c1ccc(cc1)C(=O)C=NO TS40717 [0,1,1,0,0,0|2,0,0]=4 436 B11R1.16 c1ccc(cc1)C(=O)C=[N+]=[N-] TS40403 [0,1,1,0,0,0|1,0,1]=4 437 B11R1.16 c1ccnc(c1)C(=CC#N)N TS40310 [0,1,1,0,0,0|1,0,1]=4 438 B11R1.24 c1cc(cc(c1)Br)C=CC=O TS21060 [0,1,1,0,0,0|1,0,0]=3 439 B11R1.28 C=CCOCc1ccccc1 TS07459 [0,1,1,0,0,0|1,0,1]=4 440 B11R1.28 CCCC=Cc1ccccc1 TS07261 [0,1,1,0,0,0|1,0,1]=4 441 B11R1.28 CCOC=Nc1ccccc1 TS07575 [0,1,1,0,0,0|0,0,2]=4 442 B11R1.28 c1ccc(cc1)C=CC=NO TS40519 [0,1,1,0,0,0|0,0,0]=2 443 B11R1.40 C=CC(=O)Oc1ccccc1 TS07421 [0,1,1,0,0,0|1,0,0]=3 444 B11R1.40 CC(=Cc1ccccc1)C=O TS07231 [0,1,1,0,0,0|1,0,0]=3 445 B11R1.40 CC(=Cc1ccccc1)CO TS40644 [0,1,1,0,0,0|1,0,1]=4 446 B11R1.40 CCC(=Cc1ccccc1)C TS07268 [0,1,1,0,0,0|1,0,1]=4 447 B11R1.40 c1ccc(cc1)C=C(C=O)Br TS21062 [0,1,1,0,0,0|1,0,0]=3 448 B11R1.40 c1ccc(cc1)C=C(C=O)Cl TS12312 [0,1,1,0,0,0|1,0,0]=3 449 B11R1.91 B(C=Cc1ccccc1)(O)O TS07400 [0,1,1,0,0,0|2,0,0]=4 450 B11R1.91 CC(=C)COc1ccccc1 TS07455 [0,1,1,0,0,0|1,0,1]=4 451 B11R1.91 CC(=C)CSc1ccccc1 TS42809 [0,1,1,0,0,0|1,0,1]=4 452 B11R1.91 CC(=C)OCc1ccccc1 TS40657 [0,1,1,0,0,0|2,0,0]=4 453 B11R1.91 CC(=O)C=Cc1ccccc1 TS07221 [0,1,1,0,0,0|1,0,0]=3 454 B11R1.91 CC(=O)C=Cc1ccccc1 TS93157 [0,1,1,0,0,0|1,0,0]=3 455 B11R1.91 CN(C)C=Nc1ccccc1 TS40682 [0,1,1,0,0,0|1,0,1]=4 456 B11R1.91 c1cc(cnc1)C=CC(=O)O TS40727 [0,1,1,0,0,0|1,0,0]=3 457 B11R1.91 c1cc(cnc1)C=C[N+](=O)[O-] TS40824 [0,1,1,0,0,0|2,0,0]=4 458 B11R1.91 c1ccc(cc1)C=CC(=O)Cl TS12314 [0,1,1,0,0,0|1,0,0]=3 459 B11R1.91 c1ccc(cc1)C=CC(=O)N TS55818 [0,1,1,0,0,0|0,0,1]=3 460 B11R1.91 c1ccc(cc1)C=CC(=O)O TS07414 [0,1,1,0,0,0|1,0,0]=3 461 B11R1.91 c1ccc(cc1)C=CC(=O)[O-] TS45091 [0,1,1,0,0,0|1,0,0]=3 462 B11R1.91 c1ccc(cc1)C=CC(=O)[O-] TS48924 [0,1,1,0,0,0|1,0,0]=3 463 B11R1.91 c1ccc(cc1)C=C[N+](=O)[O-] TS40725 [0,1,1,0,0,0|2,0,0]=4 464 B11R1.91 c1ccc(cc1)CNC(=N)N TS80918 [0,1,1,0,0,0|1,0,1]=4 465 B11R1.91 c1ccc(cc1)CSC(=N)N TS19496 [0,1,1,0,0,0|1,0,1]=4 466 B11R1.91 c1ccc(cc1)OCC(=N)N TS15733 [0,1,1,0,0,0|1,0,1]=4 467 B11R1.91 c1ccc(cc1)SCC(=N)N TS19495 [0,1,1,0,0,0|1,0,1]=4 468 B11R1.91 c1ccnc(c1)C=CC(=O)O TS07541 [0,1,1,0,0,0|1,0,0]=3 469 B11R1.91 c1cnccc1C=CC(=O)O TS65059 [0,1,1,0,0,0|2,0,0]=4 470 B11R1.53 B(c1ccccc1C=C)(O)O TS07979 [0,1,1,0,0,0|2,0,0]=4 471 B11R2.1 CC1C=Cc2c1cccc2 TS36509 [0,1,0,0,1,0|0,0,1]=3 472 B11R2.1 Cc1c2c(cccn2)[nH]n1 TS89959 [0,1,0,0,1,0|2,0,0]=4 473 B11R2.1 Cc1c2ccccc2[nH]n1 TS70652 [0,1,0,0,1,0|1,0,1]=4 474 B11R2.1 Cc1c2ccccc2[nH]n1 TS91059 [0,1,0,0,1,0|1,0,1]=4 475 B11R2.1 Cc1c2ccccc2on1 TS36752 [0,1,0,0,1,0|2,0,0]=4 476 B11R2.1 Cc1c2ccccn2cn1 TS36686 [0,1,0,0,1,0|2,0,0]=4 477 B11R2.1 Cc1c2cccnc2[nH]n1 TS88546 [0,1,0,0,1,0|2,0,0]=4 478 B11R2.1 Cc1c[nH]c2c1cccc2 TS02848 [0,1,0,0,1,0|0,0,1]=3 479 B11R2.1 Cc1c[nH]c2c1cccn2 TS05738 [0,1,0,0,1,0|1,0,0]=3 480 B11R2.1 Cc1c[nH]c2c1nccc2 TS36677 [0,1,0,0,1,0|1,0,0]=3 481 B11R2.1 Cc1coc2c1cccc2 TS36667 [0,1,0,0,1,0|1,0,0]=3 482 B11R2.1 Cc1csc2c1cccc2 TS07495 [0,1,0,0,1,0|1,0,0]=3 483 B11R2.1 Cn1c2ccccc2cn1 TS36679 [0,1,0,0,1,0|1,0,1]=4 484 B11R2.1 Cn1c2ccccc2nn1 TS01810 [0,1,0,0,1,0|2,0,0]=4 485 B11R2.1 Cn1ccc2c1cccc2 TS00492 [0,1,0,0,1,0|0,0,1]=3 486 B11R2.1 Cn1cnc2c1cccc2 TS36688 [0,1,0,0,1,0|1,0,0]=3 487 B11R2.1 c1c(c2cncnc2[nH]1)Br TS90274 [0,1,0,0,1,0|2,0,0]=4 488 B11R2.1 c1c(c2cncnc2[nH]1)Cl TS09672 [0,1,0,0,1,0|2,0,0]=4 489 B11R2.1 c1c(c2cncnc2[nH]1)I TS88198 [0,1,0,0,1,0|2,0,0]=4 490 B11R2.1 c1cc2c([nH]nc2Br)nc1 TS91175 [0,1,0,0,1,0|2,0,0]=4 491 B11R2.1 c1cc2c([nH]nc2I)nc1 TS89610 [0,1,0,0,1,0|2,0,0]=4 492 B11R2.1 c1cc2c(c(c[nH]2)Br)nc1 TS18390 [0,1,0,0,1,0|1,0,0]=3 493 B11R2.1 c1cc2c(c(c[nH]2)Cl)nc1 TS10255 [0,1,0,0,1,0|1,0,0]=3 494 B11R2.1 c1cc2c(c(c[nH]2)I)nc1 TS61934 [0,1,0,0,1,0|1,0,0]=3 495 B11R2.1 c1cc2c(c(cs2)Br)nc1 TS90067 [0,1,0,0,1,0|1,0,0]=3 496 B11R2.1 c1cc2c(c(n[nH]2)Br)nc1 TS85728 [0,1,0,0,1,0|2,0,0]=4 497 B11R2.1 c1cc2c(c(n[nH]2)I)nc1 TS90025 [0,1,0,0,1,0|2,0,0]=4 498 B11R2.1 c1cc2c(c(n[nH]2)N)nc1 TS87172 [0,1,0,0,1,0|2,0,0]=4 499 B11R2.1 c1cc2c(c(no2)N)nc1 TS88315 [0,1,0,0,1,0|2,0,0]=4 500 B11R2.1 c1cc2c(c[nH]c2nc1)Br TS09471 [0,1,0,0,1,0|1,0,0]=3 501 B11R2.1 c1cc2c(c[nH]c2nc1)Cl TS41209 [0,1,0,0,1,0|1,0,0]=3 502 B11R2.1 c1cc2c(c[nH]c2nc1)I TS02807 [0,1,0,0,1,0|1,0,0]=3 503 B11R2.1 c1cc2c(c[nH]c2nc1)I TS85593 [0,1,0,0,1,0|1,0,0]=3 504 B11R2.1 c1cc2c(c[nH]c2nc1)N TS59907 [0,1,0,0,1,0|1,0,0]=3 505 B11R2.1 c1cc2c(c[nH]c2nc1)N TS65873 [0,1,0,0,1,0|1,0,0]=3 506 B11R2.1 c1cc2c(cnn2nc1)Br TS86785 [0,1,0,0,1,0|2,0,0]=4 507 B11R2.1 c1cc2c(n[nH]c2nc1)N TS85316 [0,1,0,0,1,0|2,0,0]=4 508 B11R2.1 c1cc2c(nc1)C(=O)CC2 TS71343 [0,1,0,0,1,0|0,0,2]=4 509 B11R2.1 c1cc2c(nc1)CCC2=O TS01198 [0,1,0,0,1,0|0,0,2]=4 510 B11R2.1 c1cc2c(nc1)COC2=O TS05972 [0,1,0,0,1,0|1,0,1]=4 511 B11R2.1 c1cc2c(noc2nc1)N TS05975 [0,1,0,0,1,0|2,0,0]=4 512 B11R2.1 c1cc2ncc(n2nc1)Br TS88907 [0,1,0,0,1,0|2,0,0]=4 513 B11R2.1 c1ccc2c(c1)C(=O)CO2 TS05876 [0,1,0,0,1,0|1,0,1]=4 514 B11R2.1 c1ccc2c(c1)CC=C2Br TS51953 [0,1,0,0,1,0|0,0,1]=3 515 B11R2.1 c1ccc2c(c1)CCC2=O TS46969 [0,1,0,0,1,0|0,0,2]=4 516 B11R2.1 c1ccc2c(c1)CN=C2N TS12625 [0,1,0,0,1,0|1,0,1]=4 517 B11R2.1 c1ccc2c(c1)COC2=O TS36800 [0,1,0,0,1,0|1,0,1]=4 518 B11R2.1 c1ccc2c(c1)COC2=O TS94299 [0,1,0,0,1,0|1,0,1]=4 519 B11R2.1 c1ccc2c(c1)c(=O)[nH]s2 TS93611 [0,1,0,0,1,0|2,0,0]=4 520 B11R2.1 c1ccc2c(c1)c(=O)ss2 TS12573 [0,1,0,0,1,0|2,0,0]=4 521 B11R2.1 c1ccc2c(c1)c(c[nH]2)Br TS65948 [0,1,0,0,1,0|0,0,1]=3 522 B11R2.1 c1ccc2c(c1)c(c[nH]2)F TS05986 [0,1,0,0,1,0|0,0,1]=3 523 B11R2.1 c1ccc2c(c1)c(c[nH]2)I TS26960 [0,1,0,0,1,0|0,0,1]=3 524 B11R2.1 c1ccc2c(c1)c(c[nH]2)O TS70623 [0,1,0,0,1,0|0,0,1]=3 525 B11R2.1 c1ccc2c(c1)c(co2)Br TS18385 [0,1,0,0,1,0|1,0,0]=3 526 B11R2.1 c1ccc2c(c1)c(cs2)Br TS65900 [0,1,0,0,1,0|1,0,0]=3 527 B11R2.1 c1ccc2c(c1)c(cs2)I TS29427 [0,1,0,0,1,0|1,0,0]=3 528 B11R2.1 c1ccc2c(c1)c(cs2)O TS70621 [0,1,0,0,1,0|1,0,0]=3 529 B11R2.1 c1ccc2c(c1)c(n[nH]2)Br TS65947 [0,1,0,0,1,0|1,0,1]=4 530 B11R2.1 c1ccc2c(c1)c(n[nH]2)Cl TS09510 [0,1,0,0,1,0|1,0,1]=4 531 B11R2.1 c1ccc2c(c1)c(n[nH]2)I TS02806 [0,1,0,0,1,0|1,0,1]=4 532 B11R2.1 c1ccc2c(c1)c(n[nH]2)N TS46951 [0,1,0,0,1,0|1,0,1]=4 533 B11R2.1 c1ccc2c(c1)c(n[nH]2)O TS05879 [0,1,0,0,1,0|1,0,1]=4 534 B11R2.1 c1ccc2c(c1)c(no2)Cl TS09509 [0,1,0,0,1,0|2,0,0]=4 535 B11R2.1 c1ccc2c(c1)c(no2)N TS46773 [0,1,0,0,1,0|2,0,0]=4 536 B11R2.1 c1ccc2c(c1)c(no2)O TS01879 [0,1,0,0,1,0|2,0,0]=4 537 B11R2.1 c1ccc2c(c1)c(ns2)Cl TS12734 [0,1,0,0,1,0|2,0,0]=4 538 B11R2.1 c1ccc2c(c1)c(ns2)N TS46772 [0,1,0,0,1,0|2,0,0]=4 539 B11R2.1 c1ccc2c(c1)ccn2N TS64998 [0,1,0,0,1,0|0,0,1]=3 540 B11R2.1 c1ccc2c(c1)ccs2=O TS40887 [0,1,0,0,1,0|1,0,0]=3 541 B11R2.1 c1ccc2c(c1)ncn2N TS05823 [0,1,0,0,1,0|1,0,0]=3 542 B11R2.1 c1ccc2c(c1)nnn2N TS05886 [0,1,0,0,1,0|2,0,0]=4 543 B11R2.1 c1ccc2c(c1)nnn2O TS00446 [0,1,0,0,1,0|2,0,0]=4 544 B11R2.1 c1ccc2c(c1)nnn2O TS05979 [0,1,0,0,1,0|2,0,0]=4 545 B11R2.1 c1ccc2c(c1)nnn2O TS93163 [0,1,0,0,1,0|2,0,0]=4 546 B11R2.1 c1ccc2c(c1)non2=O TS06044 [0,1,0,0,1,0|2,0,0]=4 547 B11R2.1 c1ccn2c(c1)c(cn2)Br TS18400 [0,1,0,0,1,0|1,0,0]=3 548 B11R2.1 c1ccn2c(c1)c(cn2)N TS36762 [0,1,0,0,1,0|1,0,0]=3 549 B11R2.1 c1ccn2c(c1)n[nH]c2=O TS16379 [0,1,0,0,1,0|2,0,0]=4 550 B11R2.1 c1ccn2c(c1)ncc2Br TS60010 [0,1,0,0,1,0|1,0,0]=3 551 B11R2.1 c1ccn2c(c1)ncc2Cl TS10249 [0,1,0,0,1,0|1,0,0]=3 552 B11R2.1 c1ccn2c(c1)ncc2I TS61936 [0,1,0,0,1,0|1,0,0]=3 553 B11R2.1 c1ccn2c(c1)ncc2N TS36759 [0,1,0,0,1,0|1,0,0]=3 554 B11R2.1 c1ccn2c(c1)nnc2Cl TS86275 [0,1,0,0,1,0|2,0,0]=4 555 B11R2.1 c1ccn2c(c1)nnc2S TS10064 [0,1,0,0,1,0|2,0,0]=4 556 B11R2.1 c1ccn2cnc(c2c1)Br TS18393 [0,1,0,0,1,0|2,0,0]=4 557 B11R2.1 c1cn2c(c1Br)cncn2 TS91903 [0,1,0,0,1,0|2,0,0]=4 558 B11R2.1 c1cn2c(cn1)ncc2Br TS65945 [0,1,0,0,1,0|2,0,0]=4 559 B11R2.1 c1cnc2c(cnn2c1)Br TS88554 [0,1,0,0,1,0|2,0,0]=4 560 B11R2.1 c1cnc2c(cnn2c1)N TS89870 [0,1,0,0,1,0|2,0,0]=4 561 B11R2.1 c1cnc2c(cnn2c1)N TS92471 [0,1,0,0,1,0|2,0,0]=4 562 B11R2.1 c1cnc2c(n1)c(c[nH]2)Br TS91624 [0,1,0,0,1,0|2,0,0]=4 563 B11R2.1 c1cnc2c(n1)c(c[nH]2)I TS90576 [0,1,0,0,1,0|2,0,0]=4 564 B11R2.1 c1cnc2ncc(n2c1)Br TS65946 [0,1,0,0,1,0|2,0,0]=4 565 B11R2.1 c1cncc2c1[nH]cc2Br TS18397 [0,1,0,0,1,0|1,0,1]=4 566 B11R2.1 c1cncc2c1[nH]cc2I TS61938 [0,1,0,0,1,0|1,0,1]=4 567 B11R2.1 c1cncc2c1[nH]cc2N TS36758 [0,1,0,0,1,0|1,0,1]=4 568 B11R2.1 c1cncc2c1c(c[nH]2)Br TS18399 [0,1,0,0,1,0|1,0,1]=4 569 B11R2.1 c1cncc2c1c(c[nH]2)I TS61932 [0,1,0,0,1,0|1,0,1]=4 570 B11R2.10 CC1=Cc2ccccc2C1 TS36518 [0,1,0,0,1,0|0,0,1]=3 571 B11R2.10 Cc1[nH]c2c(n1)cccn2 TS05824 [0,1,0,0,1,0|2,0,0]=4 572 B11R2.10 Cc1[nH]c2ccccc2n1 TS01130 [0,1,0,0,1,0|1,0,0]=3 573 B11R2.10 Cc1cc2c([nH]1)cccn2 TS05747 [0,1,0,0,1,0|1,0,0]=3 574 B11R2.10 Cc1cc2ccccc2[nH]1 TS65605 [0,1,0,0,1,0|0,0,1]=3 575 B11R2.10 Cc1cc2ccccc2o1 TS01131 [0,1,0,0,1,0|1,0,0]=3 576 B11R2.10 Cc1cc2ccccc2s1 TS07494 [0,1,0,0,1,0|1,0,0]=3 577 B11R2.10 Cc1cc2cccnc2[nH]1 TS01126 [0,1,0,0,1,0|1,0,0]=3 578 B11R2.10 Cc1cc2ccncc2[nH]1 TS05741 [0,1,0,0,1,0|1,0,1]=4 579 B11R2.10 Cc1cc2cnccc2[nH]1 TS36678 [0,1,0,0,1,0|1,0,1]=4 580 B11R2.10 Cc1cn2ccccc2n1 TS65603 [0,1,0,0,1,0|1,0,0]=3 581 B11R2.10 Cc1nc2ccccc2[se]1 TS53597 [0,1,0,0,1,0|1,0,0]=3 582 B11R2.10 Cc1nc2ccccc2o1 TS36749 [0,1,0,0,1,0|1,0,0]=3 583 B11R2.10 Cc1nc2ccccc2s1 TS01132 [0,1,0,0,1,0|1,0,0]=3 584 B11R2.10 Cn1cc2ccccc2n1 TS86923 [0,1,0,0,1,0|1,0,0]=3 585 B11R2.10 Cn1nc2ccccc2n1 TS05822 [0,1,0,0,1,0|2,0,0]=4 586 B11R2.10 c1cc2c([nH]c(=O)[nH]2)nc1 TS46947 [0,1,0,0,1,0|2,0,0]=4 587 B11R2.10 c1cc2c([nH]c(=O)o2)nc1 TS01627 [0,1,0,0,1,0|2,0,0]=4 588 B11R2.10 c1cc2c(nc1)CC(=O)N2 TS90280 [0,1,0,0,1,0|1,0,1]=4 589 B11R2.10 c1cc2c(nc1)NC(=O)C2 TS46802 [0,1,0,0,1,0|1,0,1]=4 590 B11R2.10 c1cc2c(nc1)nc([nH]2)S TS41027 [0,1,0,0,1,0|2,0,0]=4 591 B11R2.10 c1cc2c(nc1)nc(o2)S TS10170 [0,1,0,0,1,0|2,0,0]=4 592 B11R2.10 c1cc2c(nc1)nc(s2)Cl TS45250 [0,1,0,0,1,0|2,0,0]=4 593 B11R2.10 c1cc2c(nc1)sc(n2)Br TS55180 [0,1,0,0,1,0|2,0,0]=4 594 B11R2.10 c1cc2c(nc1)sc(n2)N TS41029 [0,1,0,0,1,0|2,0,0]=4 595 B11R2.10 c1cc2c(nc1)sc(n2)S TS12578 [0,1,0,0,1,0|2,0,0]=4 596 B11R2.10 c1cc2cc([nH]c2nc1)Br TS18392 [0,1,0,0,1,0|1,0,0]=3 597 B11R2.10 c1cc2cc([nH]c2nc1)I TS87877 [0,1,0,0,1,0|1,0,0]=3 598 B11R2.10 c1ccc2c(c1)CC(=C2)Br TS51952 [0,1,0,0,1,0|0,0,1]=3 599 B11R2.10 c1ccc2c(c1)CC(=O)C2 TS55409 [0,1,0,0,1,0|0,0,2]=4 600 B11R2.10 c1ccc2c(c1)CC(=O)O2 TS36798 [0,1,0,0,1,0|1,0,1]=4 601 B11R2.10 c1ccc2c(c1)CC(=S)N2 TS07593 [0,1,0,0,1,0|0,0,2]=4 602 B11R2.10 c1ccc2c(c1)[nH]c(=O)o2 TS59941 [0,1,0,0,1,0|1,0,1]=4 603 B11R2.10 c1ccc2c(c1)[nH]c(n2)Br TS55154 [0,1,0,0,1,0|1,0,0]=3 604 B11R2.10 c1ccc2c(c1)[nH]c(n2)Cl TS10252 [0,1,0,0,1,0|1,0,0]=3 605 B11R2.10 c1ccc2c(c1)[nH]c(n2)I TS61935 [0,1,0,0,1,0|1,0,0]=3 606 B11R2.10 c1ccc2c(c1)[nH]c(n2)N TS36756 [0,1,0,0,1,0|1,0,0]=3 607 B11R2.10 c1ccc2c(c1)[nH]c(n2)O TS55397 [0,1,0,0,1,0|1,0,0]=3 608 B11R2.10 c1ccc2c(c1)[nH]c(n2)S TS07963 [0,1,0,0,1,0|1,0,0]=3 609 B11R2.10 c1ccc2c(c1)cc([nH]2)Br TS18166 [0,1,0,0,1,0|0,0,1]=3 610 B11R2.10 c1ccc2c(c1)cc([nH]2)Cl TS41070 [0,1,0,0,1,0|0,0,1]=3 611 B11R2.10 c1ccc2c(c1)cc([nH]2)N TS12624 [0,1,0,0,1,0|0,0,1]=3 612 B11R2.10 c1ccc2c(c1)cc(o2)Br TS08818 [0,1,0,0,1,0|1,0,0]=3 613 B11R2.10 c1ccc2c(c1)nc([se]2)S TS44462 [0,1,0,0,1,0|1,0,0]=3 614 B11R2.10 c1ccc2c(c1)nc(o2)Cl TS10355 [0,1,0,0,1,0|1,0,0]=3 615 B11R2.10 c1ccc2c(c1)nc(o2)N TS00367 [0,1,0,0,1,0|1,0,0]=3 616 B11R2.10 c1ccc2c(c1)nc(o2)S TS81065 [0,1,0,0,1,0|1,0,0]=3 617 B11R2.10 c1ccc2c(c1)nc(s2)Br TS00846 [0,1,0,0,1,0|1,0,0]=3 618 B11R2.10 c1ccc2c(c1)nc(s2)Cl TS07939 [0,1,0,0,1,0|1,0,0]=3 619 B11R2.10 c1ccc2c(c1)nc(s2)F TS41271 [0,1,0,0,1,0|1,0,0]=3 620 B11R2.10 c1ccc2c(c1)nc(s2)N TS47465 [0,1,0,0,1,0|1,0,0]=3 621 B11R2.10 c1ccc2c(c1)nc(s2)S TS39815 [0,1,0,0,1,0|1,0,0]=3 622 B11R2.10 c1ccc2c(c1)nc(s2)S TS80959 [0,1,0,0,1,0|1,0,0]=3 623 B11R2.10 c1ccc2c(c1)nn(n2)N TS05888 [0,1,0,0,1,0|2,0,0]=4 624 B11R2.10 c1ccc2c(c1)oc(=O)o2 TS06040 [0,1,0,0,1,0|2,0,0]=4 625 B11R2.10 c1ccn2c(c1)cc(n2)Cl TS00955 [0,1,0,0,1,0|1,0,0]=3 626 B11R2.10 c1ccn2c(c1)nc(n2)N TS22754 [0,1,0,0,1,0|2,0,0]=4 627 B11R2.10 c1cncc2c1[nH]c(n2)N TS64996 [0,1,0,0,1,0|2,0,0]=4 628 B11R2.10 c1cncc2c1cc([nH]2)Br TS18401 [0,1,0,0,1,0|1,0,1]=4 629 B11R2.10 c1cncc2c1nc(s2)N TS91638 [0,1,0,0,1,0|2,0,0]=4 630 B11R2.10 c1cncc2c1sc(n2)N TS41028 [0,1,0,0,1,0|2,0,0]=4 631 B11R2.36 Cc1cc2c(cc[nH]2)cn1 TS05742 [0,1,0,0,1,0|1,0,1]=4 632 B11R2.36 Cc1cc2c(cc[nH]2)nc1 TS86014 [0,1,0,0,1,0|1,0,0]=3 633 B11R2.36 Cc1cc2cc[nH]c2nc1 TS36683 [0,1,0,0,1,0|1,0,0]=3 634 B11R2.36 Cc1ccc2c(c1)[nH]cn2 TS36687 [0,1,0,0,1,0|1,0,0]=3 635 B11R2.36 Cc1ccc2c(c1)cc[nH]2 TS01156 [0,1,0,0,1,0|0,0,1]=3 636 B11R2.36 Cc1ccc2c(c1)ccs2 TS01153 [0,1,0,0,1,0|1,0,0]=3 637 B11R2.36 Cc1ccc2c(c1)cn[nH]2 TS55476 [0,1,0,0,1,0|1,0,1]=4 638 B11R2.36 Cc1ccc2c(c1)nco2 TS36750 [0,1,0,0,1,0|1,0,0]=3 639 B11R2.36 Cc1ccc2c(c1)nn[nH]2 TS36761 [0,1,0,0,1,0|2,0,0]=4 640 B11R2.36 Cc1ccc2c(c1)nn[nH]2 TS73521 [0,1,0,0,1,0|2,0,0]=4 641 B11R2.36 Cc1ccc2c(c1)non2 TS36810 [0,1,0,0,1,0|2,0,0]=4 642 B11R2.36 Cc1ccc2c(c1)nsn2 TS09904 [0,1,0,0,1,0|2,0,0]=4 643 B11R2.36 Cc1ccc2c(c1)ocn2 TS36747 [0,1,0,0,1,0|1,0,0]=3 644 B11R2.36 Cc1ccc2c(c1)scn2 TS07592 [0,1,0,0,1,0|1,0,0]=3 645 B11R2.36 Cc1ccc2c(n1)cc[nH]2 TS05745 [0,1,0,0,1,0|1,0,0]=3 646 B11R2.36 Cc1ccc2cc[nH]c2c1 TS01264 [0,1,0,0,1,0|0,0,1]=3 647 B11R2.36 Cc1ccc2cc[nH]c2c1 TS11552 [0,1,0,0,1,0|0,0,1]=3 648 B11R2.36 Cc1ccc2cn[nH]c2c1 TS36685 [0,1,0,0,1,0|1,0,1]=4 649 B11R2.36 Cc1ccc2cn[nH]c2n1 TS36760 [0,1,0,0,1,0|2,0,0]=4 650 B11R2.36 Cc1ccc2nccn2c1 TS05746 [0,1,0,0,1,0|1,0,0]=3 651 B11R2.36 Cc1ccn2ccnc2c1 TS05739 [0,1,0,0,1,0|1,0,0]=3 652 B11R2.36 c1c(c[nH]c-2ncnc12)Br TS88538 [0,1,0,0,1,0|2,0,0]=4 653 B11R2.36 c1c(cnc2c1[nH]cn2)Cl TS10360 [0,1,0,0,1,0|2,0,0]=4 654 B11R2.36 c1c(cnc2c1[nH]nc2)Br TS87481 [0,1,0,0,1,0|2,0,0]=4 655 B11R2.36 c1c(cnc2c1[nH]nc2)Cl TS87873 [0,1,0,0,1,0|2,0,0]=4 656 B11R2.36 c1c(cnc2c1ncs2)Br TS21820 [0,1,0,0,1,0|2,0,0]=4 657 B11R2.36 c1c2cn[nH]c2ncc1Br TS03254 [0,1,0,0,1,0|2,0,0]=4 658 B11R2.36 c1c2cn[nH]c2ncc1F TS85924 [0,1,0,0,1,0|2,0,0]=4 659 B11R2.36 c1c2cn[nH]c2ncc1N TS88131 [0,1,0,0,1,0|2,0,0]=4 660 B11R2.36 c1c[nH]c2c1cc(cn2)Br TS71451 [0,1,0,0,1,0|1,0,0]=3 661 B11R2.36 c1c[nH]c2c1cc(cn2)Cl TS71484 [0,1,0,0,1,0|1,0,0]=3 662 B11R2.36 c1c[nH]c2c1cc(cn2)F TS03300 [0,1,0,0,1,0|1,0,0]=3 663 B11R2.36 c1c[nH]c2c1cc(cn2)I TS61941 [0,1,0,0,1,0|1,0,0]=3 664 B11R2.36 c1c[nH]c2c1cc(cn2)N TS03239 [0,1,0,0,1,0|1,0,0]=3 665 B11R2.36 c1c[nH]c2c1cc(cn2)N TS91549 [0,1,0,0,1,0|1,0,0]=3 666 B11R2.36 c1c[nH]c2c1cc(cn2)O TS00458 [0,1,0,0,1,0|1,0,0]=3 667 B11R2.36 c1c[nH]c2c1cc(nc2)Br TS18398 [0,1,0,0,1,0|1,0,1]=4 668 B11R2.36 c1c[nH]c2c1cc(nc2)Cl TS10248 [0,1,0,0,1,0|1,0,1]=4 669 B11R2.36 c1c[nH]c2c1cc(nc2)N TS86055 [0,1,0,0,1,0|1,0,1]=4 670 B11R2.36 c1c[nH]c2c1cc(nn2)Cl TS86215 [0,1,0,0,1,0|2,0,0]=4 671 B11R2.36 c1c[nH]c2c1cnc(c2)Br TS85649 [0,1,0,0,1,0|1,0,1]=4 672 B11R2.36 c1c[nH]c2c1cnc(c2)Cl TS08425 [0,1,0,0,1,0|1,0,1]=4 673 B11R2.36 c1c[nH]c2c1cnc(c2)F TS36972 [0,1,0,0,1,0|1,0,1]=4 674 B11R2.36 c1c[nH]c2c1cnc(c2)N TS36763 [0,1,0,0,1,0|1,0,1]=4 675 B11R2.36 c1c[nH]c2c1cnc(n2)N TS87508 [0,1,0,0,1,0|2,0,0]=4 676 B11R2.36 c1c[nH]c2c1nc(cn2)Cl TS88954 [0,1,0,0,1,0|2,0,0]=4 677 B11R2.36 c1c[nH]c2c1nc(nc2)Cl TS85744 [0,1,0,0,1,0|2,0,0]=4 678 B11R2.36 c1c[nH]c2c1ncc(c2)Br TS59728 [0,1,0,0,1,0|1,0,0]=3 679 B11R2.36 c1c[nH]c2c1ncc(c2)Cl TS10251 [0,1,0,0,1,0|1,0,0]=3 680 B11R2.36 c1c[nH]c2c1ncc(c2)F TS86780 [0,1,0,0,1,0|1,0,0]=3 681 B11R2.36 c1c[nH]c2c1ncc(c2)I TS85685 [0,1,0,0,1,0|1,0,0]=3 682 B11R2.36 c1c[nH]c2c1ncc(c2)N TS36757 [0,1,0,0,1,0|1,0,0]=3 683 B11R2.36 c1c[nH]c2c1ncc(n2)Br TS87180 [0,1,0,0,1,0|2,0,0]=4 684 B11R2.36 c1c[nH]c2c1ncc(n2)Cl TS10363 [0,1,0,0,1,0|2,0,0]=4 685 B11R2.36 c1cc(cc2c1cc[nH]2)Br TS55563 [0,1,0,0,1,0|0,0,1]=3 686 B11R2.36 c1cc(cc2c1cc[nH]2)Cl TS08436 [0,1,0,0,1,0|0,0,1]=3 687 B11R2.36 c1cc(cc2c1cc[nH]2)F TS01230 [0,1,0,0,1,0|0,0,1]=3 688 B11R2.36 c1cc(cc2c1cc[nH]2)N TS05749 [0,1,0,0,1,0|0,0,1]=3 689 B11R2.36 c1cc(cc2c1cc[nH]2)O TS55608 [0,1,0,0,1,0|0,0,1]=3 690 B11R2.36 c1cc(cn2c1ccn2)Br TS91371 [0,1,0,0,1,0|1,0,0]=3 691 B11R2.36 c1cc(nc2c1[nH]cc2)Br TS16999 [0,1,0,0,1,0|1,0,0]=3 692 B11R2.36 c1cc(nc2c1[nH]cc2)Cl TS03274 [0,1,0,0,1,0|1,0,0]=3 693 B11R2.36 c1cc(nc2c1[nH]cc2)N TS59672 [0,1,0,0,1,0|1,0,0]=3 694 B11R2.36 c1cc(nc2c1[nH]cn2)Br TS90052 [0,1,0,0,1,0|2,0,0]=4 695 B11R2.36 c1cc(nc2c1[nH]nc2)Br TS90947 [0,1,0,0,1,0|2,0,0]=4 696 B11R2.36 c1cc(nc2c1[nH]nc2)Cl TS71483 [0,1,0,0,1,0|2,0,0]=4 697 B11R2.36 c1cc(nc2c1cc[nH]2)Br TS55553 [0,1,0,0,1,0|1,0,0]=3 698 B11R2.36 c1cc(nc2c1cc[nH]2)Cl TS08430 [0,1,0,0,1,0|1,0,0]=3 699 B11R2.36 c1cc(nc2c1cc[nH]2)F TS36971 [0,1,0,0,1,0|1,0,0]=3 700 B11R2.36 c1cc(nc2c1cc[nH]2)I TS61939 [0,1,0,0,1,0|1,0,0]=3 701 B11R2.36 c1cc(nc2c1cc[nH]2)N TS00459 [0,1,0,0,1,0|1,0,0]=3 702 B11R2.36 c1cc(nc2c1cn[nH]2)Cl TS90848 [0,1,0,0,1,0|2,0,0]=4 703 B11R2.36 c1cc(nc2c1nc[nH]2)Cl TS03265 [0,1,0,0,1,0|2,0,0]=4 704 B11R2.36 c1cc(nc2c1scc2)Cl TS89295 [0,1,0,0,1,0|1,0,0]=3 705 B11R2.36 c1cc(nn2c1ncc2)Br TS87116 [0,1,0,0,1,0|2,0,0]=4 706 B11R2.36 c1cc(nn2c1ncc2)Cl TS08435 [0,1,0,0,1,0|2,0,0]=4 707 B11R2.36 c1cc2c(cc1Br)C=CC2 TS03252 [0,1,0,0,1,0|0,0,1]=3 708 B11R2.36 c1cc2c(cc1Br)cn[nH]2 TS71464 [0,1,0,0,1,0|1,0,1]=4 709 B11R2.36 c1cc2c(cc1Br)nco2 TS71458 [0,1,0,0,1,0|1,0,0]=3 710 B11R2.36 c1cc2c(cc1Br)ncs2 TS71457 [0,1,0,0,1,0|1,0,0]=3 711 B11R2.36 c1cc2c(cc1Br)nn[nH]2 TS03248 [0,1,0,0,1,0|2,0,0]=4 712 B11R2.36 c1cc2c(cc1Br)non2 TS71410 [0,1,0,0,1,0|2,0,0]=4 713 B11R2.36 c1cc2c(cc1Br)nsn2 TS21821 [0,1,0,0,1,0|2,0,0]=4 714 B11R2.36 c1cc2c(cc1Br)ocn2 TS55557 [0,1,0,0,1,0|1,0,0]=3 715 B11R2.36 c1cc2c(cc1Br)scn2 TS55556 [0,1,0,0,1,0|1,0,0]=3 716 B11R2.36 c1cc2c(cc1Cl)C=CC2 TS09974 [0,1,0,0,1,0|0,0,1]=3 717 B11R2.36 c1cc2c(cc1Cl)[nH]cn2 TS41215 [0,1,0,0,1,0|1,0,0]=3 718 B11R2.36 c1cc2c(cc1Cl)cn[nH]2 TS89463 [0,1,0,0,1,0|1,0,1]=4 719 B11R2.36 c1cc2c(cc1Cl)nco2 TS71512 [0,1,0,0,1,0|1,0,0]=3 720 B11R2.36 c1cc2c(cc1Cl)ncs2 TS12735 [0,1,0,0,1,0|1,0,0]=3 721 B11R2.36 c1cc2c(cc1Cl)nn[nH]2 TS10359 [0,1,0,0,1,0|2,0,0]=4 722 B11R2.36 c1cc2c(cc1Cl)nsn2 TS45251 [0,1,0,0,1,0|2,0,0]=4 723 B11R2.36 c1cc2c(cc1Cl)scn2 TS12737 [0,1,0,0,1,0|1,0,0]=3 724 B11R2.36 c1cc2c(cc1Cl)snn2 TS45249 [0,1,0,0,1,0|2,0,0]=4 725 B11R2.36 c1cc2c(cc1F)C=CC2 TS05891 [0,1,0,0,1,0|0,0,1]=3 726 B11R2.36 c1cc2c(cc1F)cn[nH]2 TS03297 [0,1,0,0,1,0|1,0,1]=4 727 B11R2.36 c1cc2c(cc1F)nc[nH]2 TS36976 [0,1,0,0,1,0|1,0,0]=3 728 B11R2.36 c1cc2c(cc1F)nco2 TS37083 [0,1,0,0,1,0|1,0,0]=3 729 B11R2.36 c1cc2c(cc1F)nn[nH]2 TS60434 [0,1,0,0,1,0|2,0,0]=4 730 B11R2.36 c1cc2c(cc1F)nsn2 TS10422 [0,1,0,0,1,0|2,0,0]=4 731 B11R2.36 c1cc2c(cc1I)cn[nH]2 TS03347 [0,1,0,0,1,0|1,0,1]=4 732 B11R2.36 c1cc2c(cc1N)[nH]cn2 TS03240 [0,1,0,0,1,0|1,0,0]=3 733 B11R2.36 c1cc2c(cc1N)cn[nH]2 TS71375 [0,1,0,0,1,0|1,0,1]=4 734 B11R2.36 c1cc2c(cc1N)nco2 TS36808 [0,1,0,0,1,0|1,0,0]=3 735 B11R2.36 c1cc2c(cc1N)ncs2 TS09908 [0,1,0,0,1,0|1,0,0]=3 736 B11R2.36 c1cc2c(cc1N)ocn2 TS01204 [0,1,0,0,1,0|1,0,0]=3 737 B11R2.36 c1cc2c(cc1N)scn2 TS01203 [0,1,0,0,1,0|1,0,0]=3 738 B11R2.36 c1cc2c(cc1O)cn[nH]2 TS46952 [0,1,0,0,1,0|1,0,1]=4 739 B11R2.36 c1cc2c(cc1O)non2 TS06043 [0,1,0,0,1,0|2,0,0]=4 740 B11R2.36 c1cc2c(cc[nH]2)cc1Br TS71465 [0,1,0,0,1,0|0,0,1]=3 741 B11R2.36 c1cc2c(cc[nH]2)cc1Br TS94754 [0,1,0,0,1,0|0,0,1]=3 742 B11R2.36 c1cc2c(cc[nH]2)cc1Cl TS71514 [0,1,0,0,1,0|0,0,1]=3 743 B11R2.36 c1cc2c(cc[nH]2)cc1F TS03319 [0,1,0,0,1,0|0,0,1]=3 744 B11R2.36 c1cc2c(cc[nH]2)cc1I TS26961 [0,1,0,0,1,0|0,0,1]=3 745 B11R2.36 c1cc2c(cc[nH]2)cc1N TS36684 [0,1,0,0,1,0|0,0,1]=3 746 B11R2.36 c1cc2c(cc[nH]2)cc1O TS03333 [0,1,0,0,1,0|0,0,1]=3 747 B11R2.36 c1cc2c(cco2)cc1Br TS71455 [0,1,0,0,1,0|1,0,0]=3 748 B11R2.36 c1cc2c(cco2)cc1N TS36754 [0,1,0,0,1,0|1,0,0]=3 749 B11R2.36 c1cc2c(ccs2)cc1Br TS71466 [0,1,0,0,1,0|1,0,0]=3 750 B11R2.36 c1cc2c(ccs2)cc1Br TS93234 [0,1,0,0,1,0|1,0,0]=3 751 B11R2.36 c1cc2c(ccs2)cc1Cl TS71511 [0,1,0,0,1,0|1,0,0]=3 752 B11R2.36 c1cc2c(ccs2)cc1N TS60421 [0,1,0,0,1,0|1,0,0]=3 753 B11R2.36 c1cc2cn[nH]c2cc1Br TS55538 [0,1,0,0,1,0|1,0,1]=4 754 B11R2.36 c1cc2cn[nH]c2cc1Cl TS10256 [0,1,0,0,1,0|1,0,1]=4 755 B11R2.36 c1cc2cn[nH]c2cc1F TS01222 [0,1,0,0,1,0|1,0,1]=4 756 B11R2.36 c1cc2cn[nH]c2cc1I TS01243 [0,1,0,0,1,0|1,0,1]=4 757 B11R2.36 c1cc2cn[nH]c2cc1N TS46953 [0,1,0,0,1,0|1,0,1]=4 758 B11R2.36 c1cc2cn[nH]c2cc1O TS36823 [0,1,0,0,1,0|1,0,1]=4 759 B11R2.36 c1cc2cnc(nn2c1)Cl TS92805 [0,1,0,0,1,0|2,0,0]=4 760 B11R2.36 c1cc2cnoc2cc1Cl TS10356 [0,1,0,0,1,0|2,0,0]=4 761 B11R2.36 c1cc2nccn2cc1Br TS71461 [0,1,0,0,1,0|1,0,0]=3 762 B11R2.36 c1cc2nccn2cc1Br TS88050 [0,1,0,0,1,0|1,0,0]=3 763 B11R2.36 c1cc2nccn2cc1Cl TS08433 [0,1,0,0,1,0|1,0,0]=3 764 B11R2.36 c1cc2nccn2cc1I TS61937 [0,1,0,0,1,0|1,0,0]=3 765 B11R2.36 c1cc2nccn2cc1N TS05825 [0,1,0,0,1,0|1,0,0]=3 766 B11R2.36 c1cc2nccn2cc1O TS36824 [0,1,0,0,1,0|1,0,0]=3 767 B11R2.36 c1cc2ncnn2cc1Br TS55533 [0,1,0,0,1,0|2,0,0]=4 768 B11R2.36 c1cc2ncnn2cc1Br TS86144 [0,1,0,0,1,0|2,0,0]=4 769 B11R2.36 c1cc2ncnn2cc1I TS62100 [0,1,0,0,1,0|2,0,0]=4 770 B11R2.36 c1cc2nncn2cc1Br TS55534 [0,1,0,0,1,0|2,0,0]=4 771 B11R2.36 c1cn2c(cc1Br)ncn2 TS91240 [0,1,0,0,1,0|2,0,0]=4 772 B11R2.36 c1cn2cc(cnc2n1)Br TS55562 [0,1,0,0,1,0|2,0,0]=4 773 B11R2.36 c1cn2cc(ncc2n1)Br TS55560 [0,1,0,0,1,0|2,0,0]=4 774 B11R2.36 c1cn2cc(ncc2n1)Cl TS08432 [0,1,0,0,1,0|2,0,0]=4 775 B11R2.36 c1cn2ccnc2cc1Br TS90728 [0,1,0,0,1,0|1,0,0]=3 776 B11R2.36 c1cn2ccnc2cc1Cl TS16505 [0,1,0,0,1,0|1,0,0]=3 777 B11R2.36 c1cn2ccnc2cc1N TS88139 [0,1,0,0,1,0|1,0,0]=3 778 B11R2.36 c1cn2cnnc2cc1Br TS87060 [0,1,0,0,1,0|2,0,0]=4 779 B11R2.36 c1cnc-2[nH]c(ncc12)Cl TS00946 [0,1,0,0,1,0|2,0,0]=4 780 B11R2.36 c1cnn2c1[nH]c(=O)cc2 TS90114 [0,1,0,0,1,0|2,0,0]=4 781 B11R2.36 c1cnn2c1cc(cc2)Br TS85985 [0,1,0,0,1,0|1,0,0]=3 782 B11R2.36 c1cnn2c1nc(cc2)Cl TS71522 [0,1,0,0,1,0|2,0,0]=4 783 B11R2.36 c1cnn2c1nc(cc2)I TS90059 [0,1,0,0,1,0|2,0,0]=4 784 B11R2.36 c1cnn2c1ncc(c2)Br TS88908 [0,1,0,0,1,0|2,0,0]=4 785 B11R2.36 c1coc2c1cc(cn2)N TS90104 [0,1,0,0,1,0|1,0,0]=3 786 B11R2.36 c1csc2c1cc(cn2)N TS86798 [0,1,0,0,1,0|1,0,0]=3 787 B11R2.36 c1csc2c1cc(nc2)Cl TS86449 [0,1,0,0,1,0|2,0,0]=4 788 B11R2.36 c1csc2c1cnc(n2)Cl TS85775 [0,1,0,0,1,0|2,0,0]=4 789 B11R2.36 c1csc2c1nc(nc2)Cl TS87499 [0,1,0,0,1,0|2,0,0]=4 790 B11R2.106 Cc1c2cc[nH]c2ncn1 TS86397 [0,1,0,0,1,0|2,0,0]=4 791 B11R2.106 Cc1cccc2c1[nH]cc2 TS09161 [0,1,0,0,1,0|0,0,1]=3 792 B11R2.106 Cc1cccc2c1[nH]nc2 TS55690 [0,1,0,0,1,0|1,0,1]=4 793 B11R2.106 Cc1cccc2c1cc[nH]2 TS03171 [0,1,0,0,1,0|0,0,1]=3 794 B11R2.106 Cc1cccc2c1ccs2 TS60064 [0,1,0,0,1,0|1,0,0]=3 795 B11R2.106 Cc1cccc2c1cn[nH]2 TS71225 [0,1,0,0,1,0|1,0,1]=4 796 B11R2.106 Cc1cccc2c1n[nH]n2 TS93653 [0,1,0,0,1,0|2,0,0]=4 797 B11R2.106 Cc1cccc2c1nsn2 TS09906 [0,1,0,0,1,0|2,0,0]=4 798 B11R2.106 Cc1cccc2c1scc2 TS07497 [0,1,0,0,1,0|1,0,0]=3 799 B11R2.106 Cc1cccc2n1ccn2 TS05743 [0,1,0,0,1,0|1,0,0]=3 800 B11R2.106 Cc1cccn2c1ncc2 TS36682 [0,1,0,0,1,0|1,0,0]=3 801 B11R2.106 Cc1ccnc2c1[nH]cc2 TS89666 [0,1,0,0,1,0|1,0,0]=3 802 B11R2.106 Cc1ccnc2c1cc[nH]2 TS36680 [0,1,0,0,1,0|1,0,0]=3 803 B11R2.106 Cc1ccnc2c1nc[nH]2 TS90699 [0,1,0,0,1,0|2,0,0]=4 804 B11R2.106 Cc1cncc2c1cc[nH]2 TS05751 [0,1,0,0,1,0|1,0,1]=4 805 B11R2.106 c1c2c(c(cn1)Br)[nH]cn2 TS89998 [0,1,0,0,1,0|2,0,0]=4 806 B11R2.106 c1c2c(c(cn1)Cl)[nH]cn2 TS90892 [0,1,0,0,1,0|2,0,0]=4 807 B11R2.106 c1c[nH]c(=O)c2c1cco2 TS91070 [0,1,0,0,1,0|2,0,0]=4 808 B11R2.106 c1c[nH]c(=O)c2c1occ2 TS05968 [0,1,0,0,1,0|2,0,0]=4 809 B11R2.106 c1c[nH]c2c1c(ccn2)Br TS70986 [0,1,0,0,1,0|1,0,0]=3 810 B11R2.106 c1c[nH]c2c1c(ccn2)Cl TS09669 [0,1,0,0,1,0|1,0,0]=3 811 B11R2.106 c1c[nH]c2c1c(ccn2)F TS87003 [0,1,0,0,1,0|1,0,0]=3 812 B11R2.106 c1c[nH]c2c1c(ccn2)N TS70904 [0,1,0,0,1,0|1,0,0]=3 813 B11R2.106 c1c[nH]c2c1c(ccn2)O TS71163 [0,1,0,0,1,0|1,0,0]=3 814 B11R2.106 c1c[nH]c2c1c(cnc2)Br TS18388 [0,1,0,0,1,0|1,0,1]=4 815 B11R2.106 c1c[nH]c2c1c(cnc2)Cl TS41213 [0,1,0,0,1,0|1,0,1]=4 816 B11R2.106 c1c[nH]c2c1c(cnc2)F TS92398 [0,1,0,0,1,0|1,0,1]=4 817 B11R2.106 c1c[nH]c2c1c(ncc2)Br TS18396 [0,1,0,0,1,0|1,0,1]=4 818 B11R2.106 c1c[nH]c2c1c(ncc2)Cl TS71014 [0,1,0,0,1,0|1,0,1]=4 819 B11R2.106 c1c[nH]c2c1c(ncc2)N TS46962 [0,1,0,0,1,0|1,0,1]=4 820 B11R2.106 c1c[nH]c2c1c(ncn2)Br TS18537 [0,1,0,0,1,0|2,0,0]=4 821 B11R2.106 c1c[nH]c2c1c(ncn2)Cl TS10361 [0,1,0,0,1,0|2,0,0]=4 822 B11R2.106 c1c[nH]c2c1c(ncn2)I TS91355 [0,1,0,0,1,0|2,0,0]=4 823 B11R2.106 c1c[nH]c2c1c(ncn2)N TS25192 [0,1,0,0,1,0|2,0,0]=4 824 B11R2.106 c1c[nH]c2c1c(ncn2)N TS70906 [0,1,0,0,1,0|2,0,0]=4 825 B11R2.106 c1c[nH]c2c1cc[nH]c2=O TS01995 [0,1,0,0,1,0|1,0,1]=4 826 B11R2.106 c1c[nH]c2c1ccnc2Br TS55658 [0,1,0,0,1,0|1,0,1]=4 827 B11R2.106 c1c[nH]c2c1ccnc2Cl TS55670 [0,1,0,0,1,0|1,0,1]=4 828 B11R2.106 c1c[nH]c2c1ccnc2N TS36765 [0,1,0,0,1,0|1,0,1]=4 829 B11R2.106 c1c[nH]c2c1cncc2Br TS85143 [0,1,0,0,1,0|1,0,1]=4 830 B11R2.106 c1c[nH]c2c1cncc2F TS90493 [0,1,0,0,1,0|1,0,1]=4 831 B11R2.106 c1c[nH]c2c1nccc2Br TS18387 [0,1,0,0,1,0|1,0,0]=3 832 B11R2.106 c1c[nH]c2c1nccc2Cl TS10258 [0,1,0,0,1,0|1,0,0]=3 833 B11R2.106 c1c[nH]c2c1nccc2F TS89406 [0,1,0,0,1,0|1,0,0]=3 834 B11R2.106 c1c[nH]c2c1nccc2N TS01296 [0,1,0,0,1,0|1,0,0]=3 835 B11R2.106 c1c[nH]c2c1ncnc2Cl TS71040 [0,1,0,0,1,0|2,0,0]=4 836 B11R2.106 c1c[nH]c2c1ncnc2N TS88154 [0,1,0,0,1,0|2,0,0]=4 837 B11R2.106 c1c[nH]c2ccnn2c1=O TS71147 [0,1,0,0,1,0|2,0,0]=4 838 B11R2.106 c1c[nH]c2ccnn2c1=O TS89274 [0,1,0,0,1,0|2,0,0]=4 839 B11R2.106 c1cc(c2c(c1)[nH]cn2)N TS02784 [0,1,0,0,1,0|1,0,0]=3 840 B11R2.106 c1cc(c2c(c1)[nH]nn2)N TS05882 [0,1,0,0,1,0|2,0,0]=4 841 B11R2.106 c1cc(c2c(c1)ncs2)N TS09903 [0,1,0,0,1,0|1,0,0]=3 842 B11R2.106 c1cc(c2c(c1)non2)N TS05976 [0,1,0,0,1,0|2,0,0]=4 843 B11R2.106 c1cc(c2c(c1)nsn2)N TS10066 [0,1,0,0,1,0|2,0,0]=4 844 B11R2.106 c1cc(c2c(c1)ocn2)N TS36818 [0,1,0,0,1,0|1,0,0]=3 845 B11R2.106 c1cc(c2c(c1)scn2)O TS71169 [0,1,0,0,1,0|1,0,0]=3 846 B11R2.106 c1cc(c2cc[nH]c2c1)N TS02994 [0,1,0,0,1,0|0,0,1]=3 847 B11R2.106 c1cc(c2ccsc2c1)N TS00402 [0,1,0,0,1,0|1,0,0]=3 848 B11R2.106 c1cc(c2cn[nH]c2c1)N TS88817 [0,1,0,0,1,0|1,0,1]=4 849 B11R2.106 c1cc(c2nccn2c1)Br TS01317 [0,1,0,0,1,0|1,0,0]=3 850 B11R2.106 c1cc(c2nccn2c1)Br TS92588 [0,1,0,0,1,0|1,0,0]=3 851 B11R2.106 c1cc(c2nccn2c1)N TS56183 [0,1,0,0,1,0|1,0,0]=3 852 B11R2.106 c1cc(c2ncnn2c1)Br TS87778 [0,1,0,0,1,0|2,0,0]=4 853 B11R2.106 c1cc(c2nncn2c1)Br TS90254 [0,1,0,0,1,0|2,0,0]=4 854 B11R2.106 c1cc(n2ccnc2c1)N TS56182 [0,1,0,0,1,0|1,0,0]=3 855 B11R2.106 c1cc2c(=O)[nH]ccn2c1 TS86292 [0,1,0,0,1,0|2,0,0]=4 856 B11R2.106 c1cc2c(=O)[nH]cnn2c1 TS88652 [0,1,0,0,1,0|2,0,0]=4 857 B11R2.106 c1cc2c(=O)cc[nH]n2c1 TS90492 [0,1,0,0,1,0|1,0,1]=4 858 B11R2.106 c1cc2c(c(c1)Br)nco2 TS32797 [0,1,0,0,1,0|1,0,0]=3 859 B11R2.106 c1cc2c(c(c1)Br)nsn2 TS21822 [0,1,0,0,1,0|2,0,0]=4 860 B11R2.106 c1cc2c(c(c1)Br)ocn2 TS53947 [0,1,0,0,1,0|1,0,0]=3 861 B11R2.106 c1cc2c(c(c1)Br)scn2 TS87473 [0,1,0,0,1,0|1,0,0]=3 862 B11R2.106 c1cc2c(c(c1)Cl)CC=C2 TS09973 [0,1,0,0,1,0|0,0,1]=3 863 B11R2.106 c1cc2c(c(c1)Cl)non2 TS10524 [0,1,0,0,1,0|2,0,0]=4 864 B11R2.106 c1cc2c(c(c1)I)nsn2 TS22846 [0,1,0,0,1,0|2,0,0]=4 865 B11R2.106 c1cc2c(c(c1)O)CC=C2 TS36662 [0,1,0,0,1,0|0,0,1]=3 866 B11R2.106 c1cc2c(c(c1)O)nc[nH]2 TS36807 [0,1,0,0,1,0|1,0,0]=3 867 B11R2.106 c1cc2c(c(c1)O)nn[nH]2 TS05980 [0,1,0,0,1,0|2,0,0]=4 868 B11R2.106 c1cc2c(cc[nH]2)[n+](c1)[O-] TS89705 [0,1,0,0,1,0|1,0,1]=4 869 B11R2.106 c1cc2c(cc[nH]2)c(c1)Br TS09604 [0,1,0,0,1,0|0,0,1]=3 870 B11R2.106 c1cc2c(cc[nH]2)c(c1)Cl TS71069 [0,1,0,0,1,0|0,0,1]=3 871 B11R2.106 c1cc2c(cc[nH]2)c(c1)F TS03092 [0,1,0,0,1,0|0,0,1]=3 872 B11R2.106 c1cc2c(cc[nH]2)c(c1)O TS71173 [0,1,0,0,1,0|0,0,1]=3 873 B11R2.106 c1cc2c(ccnn2c1)N TS87574 [0,1,0,0,1,0|1,0,0]=3 874 B11R2.106 c1cc2c(cco2)c(c1)Br TS87398 [0,1,0,0,1,0|1,0,0]=3 875 B11R2.106 c1cc2c(ccs2)c(c1)Br TS88080 [0,1,0,0,1,0|1,0,0]=3 876 B11R2.106 c1cc2c(cn[nH]2)c(c1)Br TS09603 [0,1,0,0,1,0|1,0,1]=4 877 B11R2.106 c1cc2c(cn[nH]2)c(c1)Cl TS09633 [0,1,0,0,1,0|1,0,1]=4 878 B11R2.106 c1cc2c(cn[nH]2)c(c1)F TS36973 [0,1,0,0,1,0|1,0,1]=4 879 B11R2.106 c1cc2c(cn[nH]2)c(c1)I TS71179 [0,1,0,0,1,0|1,0,1]=4 880 B11R2.106 c1cc2c(cn[nH]2)c(c1)O TS88492 [0,1,0,0,1,0|1,0,1]=4 881 B11R2.106 c1cc2c(nccn2c1)Cl TS85684 [0,1,0,0,1,0|2,0,0]=4 882 B11R2.106 c1cc2c(ncnn2c1)Cl TS87792 [0,1,0,0,1,0|2,0,0]=4 883 B11R2.106 c1cc2c(ncnn2c1)N TS05883 [0,1,0,0,1,0|2,0,0]=4 884 B11R2.106 c1cc2cc[nH]c2[n+](c1)[O-] TS87731 [0,1,0,0,1,0|1,0,1]=4 885 B11R2.106 c1cc2cc[nH]c2c(c1)Br TS55655 [0,1,0,0,1,0|0,0,1]=3 886 B11R2.106 c1cc2cc[nH]c2c(c1)Br TS93651 [0,1,0,0,1,0|0,0,1]=3 887 B11R2.106 c1cc2cc[nH]c2c(c1)Cl TS16506 [0,1,0,0,1,0|0,0,1]=3 888 B11R2.106 c1cc2cc[nH]c2c(c1)F TS16518 [0,1,0,0,1,0|0,0,1]=3 889 B11R2.106 c1cc2cc[nH]c2c(c1)N TS05750 [0,1,0,0,1,0|0,0,1]=3 890 B11R2.106 c1cc2cc[nH]c2c(c1)O TS55678 [0,1,0,0,1,0|0,0,1]=3 891 B11R2.106 c1cc2ccnn2c(c1)Br TS55662 [0,1,0,0,1,0|1,0,0]=3 892 B11R2.106 c1cc2ccnn2c(c1)I TS61933 [0,1,0,0,1,0|1,0,0]=3 893 B11R2.106 c1cc2ccsc2c(c1)Cl TS12629 [0,1,0,0,1,0|1,0,0]=3 894 B11R2.106 c1cc2cn[nH]c2c(c1)Br TS16502 [0,1,0,0,1,0|1,0,1]=4 895 B11R2.106 c1cc2cn[nH]c2c(c1)Cl TS55668 [0,1,0,0,1,0|1,0,1]=4 896 B11R2.106 c1cc2cn[nH]c2c(c1)F TS16514 [0,1,0,0,1,0|1,0,1]=4 897 B11R2.106 c1cc2cn[nH]c2c(c1)I TS61940 [0,1,0,0,1,0|1,0,1]=4 898 B11R2.106 c1cc2cn[nH]c2c(c1)N TS01295 [0,1,0,0,1,0|1,0,1]=4 899 B11R2.106 c1cc2cn[nH]c2c(c1)O TS05880 [0,1,0,0,1,0|1,0,1]=4 900 B11R2.106 c1cc2cncn2c(c1)Br TS18394 [0,1,0,0,1,0|2,0,0]=4 901 B11R2.106 c1cc2cnoc2c(c1)O TS05967 [0,1,0,0,1,0|2,0,0]=4 902 B11R2.106 c1cc2nccn2c(c1)Cl TS60088 [0,1,0,0,1,0|1,0,0]=3 903 B11R2.106 c1cc2ncnn2c(c1)Br TS86711 [0,1,0,0,1,0|2,0,0]=4 904 B11R2.106 c1cc2nncn2c(c1)Br TS87075 [0,1,0,0,1,0|2,0,0]=4 905 B11R2.106 c1cn2c(n1)cncc2Cl TS10362 [0,1,0,0,1,0|2,0,0]=4 906 B11R2.106 c1cn2ccnc(c2n1)Cl TS90406 [0,1,0,0,1,0|2,0,0]=4 907 B11R2.106 c1cnc(c2c1[nH]cn2)Br TS89331 [0,1,0,0,1,0|2,0,0]=4 908 B11R2.106 c1cnc(c2c1[nH]cn2)Cl TS09632 [0,1,0,0,1,0|2,0,0]=4 909 B11R2.106 c1cnc(c2c1[nH]cn2)N TS90510 [0,1,0,0,1,0|2,0,0]=4 910 B11R2.106 c1cnc(c2c1cco2)Cl TS86686 [0,1,0,0,1,0|2,0,0]=4 911 B11R2.106 c1cnc(c2c1ccs2)Cl TS12733 [0,1,0,0,1,0|2,0,0]=4 912 B11R2.106 c1cnc(c2c1ccs2)N TS89285 [0,1,0,0,1,0|2,0,0]=4 913 B11R2.106 c1cnc(c2c1ncs2)Cl TS90090 [0,1,0,0,1,0|2,0,0]=4 914 B11R2.106 c1cnc(c2c1occ2)Cl TS71068 [0,1,0,0,1,0|2,0,0]=4 915 B11R2.106 c1cnc(c2c1scc2)Cl TS71082 [0,1,0,0,1,0|2,0,0]=4 916 B11R2.106 c1cnc(c2c1scc2)I TS68449 [0,1,0,0,1,0|2,0,0]=4 917 B11R2.106 c1cnc(c2c1scc2)O TS10063 [0,1,0,0,1,0|2,0,0]=4 918 B11R2.106 c1cnc-2[nH]cnc(c12)Br TS94464 [0,1,0,0,1,0|2,0,0]=4 919 B11R2.106 c1cnc2c(c1Br)cn[nH]2 TS86712 [0,1,0,0,1,0|2,0,0]=4 920 B11R2.106 c1cnc2c(c1Br)nc[nH]2 TS87102 [0,1,0,0,1,0|2,0,0]=4 921 B11R2.106 c1cnc2c(c1Cl)cco2 TS88728 [0,1,0,0,1,0|1,0,0]=3 922 B11R2.106 c1cnc2c(c1Cl)ccs2 TS12738 [0,1,0,0,1,0|1,0,0]=3 923 B11R2.106 c1cnc2c(c1Cl)cn[nH]2 TS86744 [0,1,0,0,1,0|2,0,0]=4 924 B11R2.106 c1cnc2c(c1Cl)nc[nH]2 TS92069 [0,1,0,0,1,0|2,0,0]=4 925 B11R2.106 c1cnc2c(c1I)cn[nH]2 TS88960 [0,1,0,0,1,0|2,0,0]=4 926 B11R2.106 c1cnc2c(c1I)nc[nH]2 TS89008 [0,1,0,0,1,0|2,0,0]=4 927 B11R2.106 c1cnc2c(c1O)cn[nH]2 TS86156 [0,1,0,0,1,0|2,0,0]=4 928 B11R2.106 c1cnc2ccoc2c1Cl TS88672 [0,1,0,0,1,0|1,0,0]=3 929 B11R2.106 c1cnc2ccsc2c1Cl TS16511 [0,1,0,0,1,0|1,0,0]=3 930 B11R2.106 c1cnc2ccsc2c1O TS01723 [0,1,0,0,1,0|1,0,0]=3 931 B11R2.106 c1cnc2ccsc2c1O TS91079 [0,1,0,0,1,0|1,0,0]=3 932 B11R2.106 c1cnc2cn[nH]c2c1Cl TS87801 [0,1,0,0,1,0|2,0,0]=4 933 B11R2.106 c1cnn2c1nccc2Cl TS16509 [0,1,0,0,1,0|2,0,0]=4 934 B11R2.106 c1cnn2ccnc2c1N TS92691 [0,1,0,0,1,0|2,0,0]=4 935 B11R2.106 c1coc2c1c(ncn2)Cl TS10523 [0,1,0,0,1,0|2,0,0]=4 936 B11R2.106 c1coc2c1c(ncn2)N TS88109 [0,1,0,0,1,0|2,0,0]=4 937 B11R2.106 c1coc2c1ncnc2Cl TS87417 [0,1,0,0,1,0|2,0,0]=4 938 B11R2.106 c1csc2c1c(ncn2)Cl TS71081 [0,1,0,0,1,0|2,0,0]=4 939 B11R2.106 c1csc2c1c(ncn2)N TS10065 [0,1,0,0,1,0|2,0,0]=4 940 B11R2.106 c1csc2c1ncnc2Cl TS71083 [0,1,0,0,1,0|2,0,0]=4 941 B11R2.106 c1csc2c1ncnc2Cl TS74624 [0,1,0,0,1,0|2,0,0]=4 942 B11R2.106 c1csc2c1ncnc2S TS12577 [0,1,0,0,1,0|2,0,0]=4 943 B13R2.3729 c1cc2c(cc1Br)CCCC=C2 TS50272 [0,1,0,0,0,1|1,0,1]=4 944 B13R2.3729 c1cc2c(cc1Cl)CCCC=C2 TS47646 [0,1,0,0,0,1|1,0,1]=4 945 B13R2.3729 c1cc2c(cc1F)CCCC=C2 TS42472 [0,1,0,0,0,1|1,0,1]=4 946 B13R2.32 Cc1c(ccc2c1nccc2)Cl TS14110 [0,2,0,0,0,0|0,0,0]=2 947 B13R2.32 Cc1c2ccccc2ccc1O TS10990 [0,2,0,0,0,0|1,0,0]=3 948 B13R2.32 Cc1c2ccccc2ncc1N TS65074 [0,2,0,0,0,0|0,0,0]=2 949 B13R2.32 Cc1ccc2c(c1N)cccn2 TS41927 [0,2,0,0,0,0|0,0,0]=2 950 B13R2.32 Cc1ccc2ccccc2c1Br TS49911 [0,2,0,0,0,0|1,0,0]=3 951 B13R2.32 Cc1ccc2ccccc2c1C TS10742 [0,2,0,0,0,0|1,0,0]=3 952 B13R2.32 Cc1ccc2ccccc2c1N TS17754 [0,2,0,0,0,0|1,0,0]=3 953 B13R2.32 Cc1ccc2ccccc2c1N TS41806 [0,2,0,0,0,0|1,0,0]=3 954 B13R2.32 Cc1ccc2ccccc2c1O TS55445 [0,2,0,0,0,0|1,0,0]=3 955 B13R2.32 Cc1ccc2cccnc2c1N TS41917 [0,2,0,0,0,0|0,0,0]=2 956 B13R2.32 Cc1ccc2cnccc2c1Br TS85283 [0,2,0,0,0,0|2,0,0]=4 957 B13R2.32 Cc1cnc2ccccc2c1N TS11004 [0,2,0,0,0,0|0,0,0]=2 958 B13R2.32 Cc1coc2ccccc2c1=O TS42143 [0,2,0,0,0,0|1,0,0]=3 959 B13R2.32 Cn1c2ccccc2ccc1=O TS46987 [0,2,0,0,0,0|0,0,1]=3 960 B13R2.32 c1cc(c(c2c1ccnc2)Cl)Cl TS18559 [0,2,0,0,0,0|2,0,0]=4 961 B13R2.32 c1cc2c(c(c1N)Br)nccn2 TS01202 [0,2,0,0,0,0|1,0,0]=3 962 B13R2.32 c1cc2ccc(c(c2nc1)O)F TS11666 [0,2,0,0,0,0|0,0,0]=2 963 B13R2.32 c1ccc2c(c1)C=CC(=O)C2=O TS41864 [0,2,0,0,0,0|1,0,0]=3 964 B13R2.32 c1ccc2c(c1)C=CC(C2O)O TS11543 [0,2,0,0,0,0|1,0,1]=4 965 B13R2.32 c1ccc2c(c1)C=C[C@@H]([C@@H]2O)O TS42439 [0,2,0,0,0,0|1,0,1]=4 966 B13R2.32 c1ccc2c(c1)c(=O)c(co2)Br TS52112 [0,2,0,0,0,0|1,0,0]=3 967 B13R2.32 c1ccc2c(c1)c(=O)n(nn2)O TS42552 [0,2,0,0,0,0|2,0,0]=4 968 B13R2.32 c1ccc2c(c1)c(c(cn2)Br)Br TS35018 [0,2,0,0,0,0|0,0,0]=2 969 B13R2.32 c1ccc2c(c1)c(c(cn2)Br)Cl TS65081 [0,2,0,0,0,0|0,0,0]=2 970 B13R2.32 c1ccc2c(c1)c(c(cn2)Br)N TS70876 [0,2,0,0,0,0|0,0,0]=2 971 B13R2.32 c1ccc2c(c1)c(c(cn2)Br)O TS50421 [0,2,0,0,0,0|0,0,0]=2 972 B13R2.32 c1ccc2c(c1)c(c(cn2)Cl)O TS66012 [0,2,0,0,0,0|0,0,0]=2 973 B13R2.32 c1ccc2c(c1)c(c(cn2)N)Br TS23602 [0,2,0,0,0,0|0,0,0]=2 974 B13R2.32 c1ccc2c(c1)c(c(cn2)N)N TS42063 [0,2,0,0,0,0|0,0,0]=2 975 B13R2.32 c1ccc2c(c1)ccc(c2Br)O TS39656 [0,2,0,0,0,0|1,0,0]=3 976 B13R2.32 c1ccc2c(c1)ccc(c2I)O TS30742 [0,2,0,0,0,0|1,0,0]=3 977 B13R2.32 c1ccc2c(c1)ccc(c2N)N TS41934 [0,2,0,0,0,0|1,0,0]=3 978 B13R2.32 c1ccc2c(c1)ccc(c2O)Br TS23598 [0,2,0,0,0,0|1,0,0]=3 979 B13R2.32 c1ccc2c(c1)ccc(c2O)F TS42429 [0,2,0,0,0,0|1,0,0]=3 980 B13R2.32 c1ccc2c(c1)ccc(c2O)N TS53566 [0,2,0,0,0,0|1,0,0]=3 981 B13R2.32 c1ccc2c(c1)ccc(c2O)O TS42142 [0,2,0,0,0,0|1,0,0]=3 982 B13R2.57 C#Cc1ccc2ccccc2c1 TS10193 [0,2,0,0,0,0|1,0,0]=3 983 B13R2.57 C=Cc1ccc2ccccc2c1 TS10454 [0,2,0,0,0,0|1,0,0]=3 984 B13R2.57 C=Cc1ccc2ccccc2n1 TS10588 [0,2,0,0,0,0|0,0,0]=2 985 B13R2.57 CCc1cc2ccccc2nc1 TS41810 [0,2,0,0,0,0|0,0,0]=2 986 B13R2.57 CCc1ccc2ccccc2c1 TS41663 [0,2,0,0,0,0|1,0,0]=3 987 B13R2.57 CNc1ccc2ccccc2c1 TS41809 [0,2,0,0,0,0|1,0,0]=3 988 B13R2.57 COc1ccc2c(c1)C=CCC2 TS42197 [0,2,0,0,0,0|1,0,1]=4 989 B13R2.57 COc1ccc2c(c1)cccn2 TS11122 [0,2,0,0,0,0|0,0,0]=2 990 B13R2.57 COc1ccc2c(c1)nccn2 TS42162 [0,2,0,0,0,0|1,0,0]=3 991 B13R2.57 COc1ccc2ccccc2c1 TS10994 [0,2,0,0,0,0|1,0,0]=3 992 B13R2.57 COc1ccc2ccncc2c1 TS55688 [0,2,0,0,0,0|2,0,0]=4 993 B13R2.57 COc1ccc2cnccc2c1 TS65174 [0,2,0,0,0,0|2,0,0]=4 994 B13R2.57 CSc1ccc2ccccc2c1 TS45829 [0,2,0,0,0,0|1,0,0]=3 995 B13R2.57 c1cc(nc2c1cncc2)C#N TS10584 [0,2,0,0,0,0|1,0,0]=3 996 B13R2.57 c1cc2c(cc1C=O)cncn2 TS41878 [0,2,0,0,0,0|1,0,0]=3 997 B13R2.57 c1cc2c(cc1C=O)nccn2 TS59385 [0,2,0,0,0,0|1,0,0]=3 998 B13R2.57 c1cc2c(cc1CN)cncn2 TS55637 [0,2,0,0,0,0|1,0,0]=3 999 B13R2.57 c1cc2cc(ccc2[nH+]c1)NN TS53574 [0,2,0,0,0,0|0,0,1]=3 1000 B13R2.57 c1cc2cc(ccc2nc1)C#N TS59383 [0,2,0,0,0,0|0,0,0]=2 1001 B13R2.57 c1cc2cc(ccc2nc1)C=O TS41761 [0,2,0,0,0,0|0,0,0]=2 1002 B13R2.57 c1cc2cc(ccc2nc1)CN TS01207 [0,2,0,0,0,0|0,0,0]=2 1003 B13R2.57 c1cc2cc(ccc2nc1)CO TS55638 [0,2,0,0,0,0|0,0,0]=2 1004 B13R2.57 c1cc2ccc(cc2nc1)C=O TS16521 [0,2,0,0,0,0|0,0,0]=2 1005 B13R2.57 c1cc2ccc(nc2nc1)C=O TS41879 [0,2,0,0,0,0|1,0,0]=3 1006 B13R2.57 c1ccc2c(c1)C=C(CO2)C#N TS10853 [0,2,0,0,0,0|1,0,1]=4 1007 B13R2.57 c1ccc2c(c1)C=C(CO2)C=O TS07721 [0,2,0,0,0,0|1,0,1]=4 1008 B13R2.57 c1ccc2c(c1)C=C(CO2)CO TS11537 [0,2,0,0,0,0|1,0,1]=4 1009 B13R2.57 c1ccc2c(c1)cc(cn2)C#N TS10435 [0,2,0,0,0,0|0,0,0]=2 1010 B13R2.57 c1ccc2c(c1)cc(cn2)C=O TS01678 [0,2,0,0,0,0|0,0,0]=2 1011 B13R2.57 c1ccc2c(c1)cc(cn2)CN TS11003 [0,2,0,0,0,0|0,0,0]=2 1012 B13R2.57 c1ccc2c(c1)ccc(n2)C#N TS10434 [0,2,0,0,0,0|0,0,0]=2 1013 B13R2.57 c1ccc2c(c1)ccc(n2)C=O TS01677 [0,2,0,0,0,0|0,0,0]=2 1014 B13R2.57 c1ccc2c(c1)ccc(n2)CBr TS08821 [0,2,0,0,0,0|0,0,0]=2 1015 B13R2.57 c1ccc2c(c1)ccc(n2)CCl TS47092 [0,2,0,0,0,0|0,0,0]=2 1016 B13R2.57 c1ccc2c(c1)ccc(n2)CO TS65647 [0,2,0,0,0,0|0,0,0]=2 1017 B13R2.57 c1ccc2c(c1)ccc(n2)NN TS42066 [0,2,0,0,0,0|0,0,0]=2 1018 B13R2.57 c1ccc2c(c1)ncc(n2)C=O TS41876 [0,2,0,0,0,0|1,0,0]=3 1019 B13R2.57 c1ccc2c(c1)ncc(n2)NN TS42171 [0,2,0,0,0,0|1,0,0]=3 1020 B13R2.57 c1ccc2cc(ccc2c1)C#N TS55303 [0,2,0,0,0,0|1,0,0]=3 1021 B13R2.57 c1ccc2cc(ccc2c1)C=O TS10684 [0,2,0,0,0,0|1,0,0]=3 1022 B13R2.57 c1ccc2cc(ccc2c1)CBr TS23231 [0,2,0,0,0,0|1,0,0]=3 1023 B13R2.57 c1ccc2cc(ccc2c1)CCl TS47088 [0,2,0,0,0,0|1,0,0]=3 1024 B13R2.57 c1ccc2cc(ccc2c1)CN TS17752 [0,2,0,0,0,0|1,0,0]=3 1025 B13R2.57 c1ccc2cc(ccc2c1)CN TS46703 [0,2,0,0,0,0|1,0,0]=3 1026 B13R2.57 c1ccc2cc(ccc2c1)CO TS01786 [0,2,0,0,0,0|1,0,0]=3 1027 B13R2.57 c1ccc2cc(ccc2c1)NN TS11005 [0,2,0,0,0,0|1,0,0]=3 1028 B13R2.57 c1ccc2cc(ccc2c1)NN TS65617 [0,2,0,0,0,0|1,0,0]=3 1029 B13R2.57 c1ccc2cnc(cc2c1)C#N TS70640 [0,2,0,0,0,0|2,0,0]=4 1030 B13R2.57 c1ccc2cnc(cc2c1)C=O TS70641 [0,2,0,0,0,0|2,0,0]=4 1031 B13R2.155 Cc1ccc2ccc(=O)oc2c1 TS42130 [0,2,0,0,0,0|1,0,0]=3 1032 B13R2.155 Cc1ccc2ccc(cc2c1)C TS41664 [0,2,0,0,0,0|1,0,0]=3 1033 B13R2.155 Cc1ccc2ccc(cc2n1)Cl TS14116 [0,2,0,0,0,0|0,0,0]=2 1034 B13R2.155 Cc1ccc2ccc(cc2n1)F TS42304 [0,2,0,0,0,0|0,0,0]=2 1035 B13R2.155 Cc1ccc2ccc(nc2c1)C TS41802 [0,2,0,0,0,0|0,0,0]=2 1036 B13R2.155 c1c(cnc2c1nc(nc2)Cl)Br TS87888 [0,2,0,0,0,0|2,0,0]=4 1037 B13R2.155 c1cc(=O)[nH]c2c1ccc(=O)[nH]2 TS42415 [0,2,0,0,0,0|1,0,1]=4 1038 B13R2.155 c1cc([nH]c-2nc(=O)ccc12)N TS42298 [0,2,0,0,0,0|1,0,0]=3 1039 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)O TS94031 [0,2,0,0,0,0|0,0,1]=3 1040 B13R2.155 c1cc(cc2c1ccc(=O)o2)N TS42281 [0,2,0,0,0,0|1,0,0]=3 1041 B13R2.155 c1cc(cc2c1ccc(c2)Br)Br TS00716 [0,2,0,0,0,0|1,0,0]=3 1042 B13R2.155 c1cc(cc2c1ccc(c2)Br)O TS08378 [0,2,0,0,0,0|1,0,0]=3 1043 B13R2.155 c1cc(cc2c1ccc(c2)O)N TS11137 [0,2,0,0,0,0|1,0,0]=3 1044 B13R2.155 c1cc(cc2c1ccc(c2)O)O TS39909 [0,2,0,0,0,0|1,0,0]=3 1045 B13R2.155 c1cc(cc2c1ccc(c2)S)S TS51557 [0,2,0,0,0,0|1,0,0]=3 1046 B13R2.155 c1cc(cc2c1ccc(n2)Cl)Br TS09158 [0,2,0,0,0,0|0,0,0]=2 1047 B13R2.155 c1cc(cc2c1ccc(n2)N)Br TS23609 [0,2,0,0,0,0|0,0,0]=2 1048 B13R2.155 c1cc(cc2c1ccc(n2)O)Cl TS55673 [0,2,0,0,0,0|0,0,0]=2 1049 B13R2.155 c1cc(nc2c1ccc(n2)Cl)Cl TS00717 [0,2,0,0,0,0|1,0,0]=3 1050 B13R2.155 c1cc(nc2c1ccc(n2)F)O TS11813 [0,2,0,0,0,0|1,0,0]=3 1051 B13R2.155 c1cc2c(cc1Br)[nH]c(=O)cn2 TS55659 [0,2,0,0,0,0|1,0,0]=3 1052 B13R2.155 c1cc2c(cc1Br)cc(cn2)O TS50418 [0,2,0,0,0,0|0,0,0]=2 1053 B13R2.155 c1cc2c(cc1Br)nc(cn2)Cl TS16490 [0,2,0,0,0,0|1,0,0]=3 1054 B13R2.155 c1cc2c(cc1Cl)nc(cn2)Cl TS00718 [0,2,0,0,0,0|1,0,0]=3 1055 B13R2.155 c1cc2c(cc1I)cc(cn2)Br TS63868 [0,2,0,0,0,0|0,0,0]=2 1056 B13R2.155 c1cc2c(cc1N)cc(cn2)Br TS23607 [0,2,0,0,0,0|0,0,0]=2 1057 B13R2.155 c1cc2cnc(nc2cc1Br)Cl TS85708 [0,2,0,0,0,0|1,0,0]=3 1058 B13R2.155 c1cc2cnc(nc2cc1Cl)N TS94436 [0,2,0,0,0,0|1,0,0]=3 1059 B13R2.155 c1cc2cnc(nc2cc1F)Cl TS00945 [0,2,0,0,0,0|1,0,0]=3 1060 B13R2.162 Cc1cc2c(cccc2nn1)N TS42061 [0,2,0,0,0,0|1,0,0]=3 1061 B13R2.162 Cc1ccc2c(c1)c(ccn2)Cl TS14115 [0,2,0,0,0,0|0,0,0]=2 1062 B13R2.162 Cc1ccc2c(c1)c(ccn2)N TS11007 [0,2,0,0,0,0|0,0,0]=2 1063 B13R2.162 Cc1ccc2c(c1)c(ccn2)O TS71162 [0,2,0,0,0,0|0,0,0]=2 1064 B13R2.162 Cc1ccc2c(c1)c(ncn2)Cl TS33148 [0,2,0,0,0,0|1,0,0]=3 1065 B13R2.162 Cc1ccc2c(c1)c(ncn2)O TS11250 [0,2,0,0,0,0|1,0,0]=3 1066 B13R2.162 Cc1ccc2cccc(c2c1)C TS10739 [0,2,0,0,0,0|1,0,0]=3 1067 B13R2.162 Cc1ccc2cccc(c2c1)O TS10989 [0,2,0,0,0,0|1,0,0]=3 1068 B13R2.162 Cc1ccc2cccc(c2n1)Cl TS14101 [0,2,0,0,0,0|0,0,0]=2 1069 B13R2.162 Cc1ccc2cccc(c2n1)F TS11390 [0,2,0,0,0,0|0,0,0]=2 1070 B13R2.162 Cc1ccc2cccc(c2n1)N TS01309 [0,2,0,0,0,0|0,0,0]=2 1071 B13R2.162 Cc1ccc2cccc(c2n1)O TS85354 [0,2,0,0,0,0|0,0,0]=2 1072 B13R2.162 Cc1ccc2ccnc(c2c1)O TS94880 [0,2,0,0,0,0|2,0,0]=4 1073 B13R2.162 Cc1cccc2c1nc(cc2)C TS10881 [0,2,0,0,0,0|0,0,0]=2 1074 B13R2.162 c1c(cnc2c1c(=O)[nH]cn2)Br TS89725 [0,2,0,0,0,0|2,0,0]=4 1075 B13R2.162 c1c(cnc2c1c(ncn2)Cl)Br TS87448 [0,2,0,0,0,0|2,0,0]=4 1076 B13R2.162 c1c2c(cnc1F)ncnc2Cl TS15181 [0,2,0,0,0,0|2,0,0]=4 1077 B13R2.162 c1c2c(cnc1F)ncnc2O TS01236 [0,2,0,0,0,0|2,0,0]=4 1078 B13R2.162 c1c[nH]c(=O)c2c1ncc(c2)Br TS90554 [0,2,0,0,0,0|1,0,0]=3 1079 B13R2.162 c1c[nH]c2c(c1=O)cc(cn2)Br TS52121 [0,2,0,0,0,0|1,0,0]=3 1080 B13R2.162 c1cc(cc2c1cc[nH]c2=O)O TS11372 [0,2,0,0,0,0|2,0,0]=4 1081 B13R2.162 c1cc(cc2c1ccnc2Cl)Br TS55653 [0,2,0,0,0,0|2,0,0]=4 1082 B13R2.162 c1cc(cc2c1ccnc2N)Br TS32808 [0,2,0,0,0,0|2,0,0]=4 1083 B13R2.162 c1cc(cc2c1ccnc2O)Cl TS55671 [0,2,0,0,0,0|2,0,0]=4 1084 B13R2.162 c1cc(nc2c1nc[nH]c2=O)Cl TS87799 [0,2,0,0,0,0|2,0,0]=4 1085 B13R2.162 c1cc(nc2c1nccc2Br)Br TS85958 [0,2,0,0,0,0|1,0,0]=3 1086 B13R2.162 c1cc(nc2c1nccc2Cl)Cl TS89810 [0,2,0,0,0,0|1,0,0]=3 1087 B13R2.162 c1cc(nc2c1ncnc2Cl)Cl TS87800 [0,2,0,0,0,0|2,0,0]=4 1088 B13R2.162 c1cc(nn2c1nccc2=O)Cl TS14833 [0,2,0,0,0,0|2,0,0]=4 1089 B13R2.162 c1cc2c(cc(cn2)Br)c(c1)Br TS35014 [0,2,0,0,0,0|0,0,0]=2 1090 B13R2.162 c1cc2c(cc1Br)c(=O)cco2 TS52113 [0,2,0,0,0,0|1,0,0]=3 1091 B13R2.162 c1cc2c(cc1Br)c(ccn2)Br TS35016 [0,2,0,0,0,0|0,0,0]=2 1092 B13R2.162 c1cc2c(cc1Br)c(ccn2)Cl TS55549 [0,2,0,0,0,0|0,0,0]=2 1093 B13R2.162 c1cc2c(cc1Br)c(ccn2)I TS55552 [0,2,0,0,0,0|0,0,0]=2 1094 B13R2.162 c1cc2c(cc1Br)c(ccn2)N TS02989 [0,2,0,0,0,0|0,0,0]=2 1095 B13R2.162 c1cc2c(cc1Br)c(ccn2)O TS55550 [0,2,0,0,0,0|0,0,0]=2 1096 B13R2.162 c1cc2c(cc1Br)c(ncn2)Cl TS55548 [0,2,0,0,0,0|1,0,0]=3 1097 B13R2.162 c1cc2c(cc1Br)c(ncn2)N TS16479 [0,2,0,0,0,0|1,0,0]=3 1098 B13R2.162 c1cc2c(cc1Cl)c(=O)[nH]cn2 TS32670 [0,2,0,0,0,0|1,0,0]=3 1099 B13R2.162 c1cc2c(cc1Cl)c(=O)cco2 TS14677 [0,2,0,0,0,0|1,0,0]=3 1100 B13R2.162 c1cc2c(cc1Cl)c(ccn2)Cl TS18561 [0,2,0,0,0,0|0,0,0]=2 1101 B13R2.162 c1cc2c(cc1Cl)c(ccn2)N TS21827 [0,2,0,0,0,0|0,0,0]=2 1102 B13R2.162 c1cc2c(cc1Cl)c(ccn2)N TS70901 [0,2,0,0,0,0|0,0,0]=2 1103 B13R2.162 c1cc2c(cc1Cl)c(ccn2)O TS08423 [0,2,0,0,0,0|0,0,0]=2 1104 B13R2.162 c1cc2c(cc1Cl)c(ncn2)Cl TS02918 [0,2,0,0,0,0|1,0,0]=3 1105 B13R2.162 c1cc2c(cc1Cl)c(ncn2)N TS14477 [0,2,0,0,0,0|1,0,0]=3 1106 B13R2.162 c1cc2c(cc1F)c(=O)[nH]cn2 TS16295 [0,2,0,0,0,0|1,0,0]=3 1107 B13R2.162 c1cc2c(cc1F)c(ccn2)Cl TS09007 [0,2,0,0,0,0|0,0,0]=2 1108 B13R2.162 c1cc2c(cc1F)c(ccn2)N TS11522 [0,2,0,0,0,0|0,0,0]=2 1109 B13R2.162 c1cc2c(cc1F)c(ccn2)O TS16642 [0,2,0,0,0,0|0,0,0]=2 1110 B13R2.162 c1cc2c(cc1F)c(ncn2)Cl TS09659 [0,2,0,0,0,0|1,0,0]=3 1111 B13R2.162 c1cc2c(cc1F)c(ncn2)N TS11677 [0,2,0,0,0,0|1,0,0]=3 1112 B13R2.162 c1cc2c(cc1I)C(=O)CC=N2 TS90785 [0,2,0,0,0,0|0,0,1]=3 1113 B13R2.162 c1cc2c(cc1I)c(=O)[nH]cn2 TS87631 [0,2,0,0,0,0|1,0,0]=3 1114 B13R2.162 c1cc2c(cc1I)c(ccn2)Cl TS35239 [0,2,0,0,0,0|0,0,0]=2 1115 B13R2.162 c1cc2c(cc1I)c(ccn2)N TS30745 [0,2,0,0,0,0|0,0,0]=2 1116 B13R2.162 c1cc2c(cc1I)c(ccn2)O TS71158 [0,2,0,0,0,0|0,0,0]=2 1117 B13R2.162 c1cc2c(cc1I)c(ncn2)Cl TS87996 [0,2,0,0,0,0|1,0,0]=3 1118 B13R2.162 c1cc2c(cc1N)c(=O)[nH]cn2 TS55530 [0,2,0,0,0,0|1,0,0]=3 1119 B13R2.162 c1cc2c(cc1O)c(ccn2)Br TS50419 [0,2,0,0,0,0|0,0,0]=2 1120 B13R2.162 c1cc2c(cc1O)c(ccn2)Cl TS32963 [0,2,0,0,0,0|0,0,0]=2 1121 B13R2.162 c1cc2ccc(cc2c(c1)N)O TS11123 [0,2,0,0,0,0|1,0,0]=3 1122 B13R2.162 c1cc2ccc(cc2c(c1)O)O TS39907 [0,2,0,0,0,0|1,0,0]=3 1123 B13R2.162 c1cc2ccc(nc2c(c1)Cl)Cl TS07930 [0,2,0,0,0,0|0,0,0]=2 1124 B13R2.162 c1cc2ccc(nc2c(c1)O)N TS11251 [0,2,0,0,0,0|0,0,0]=2 1125 B13R2.162 c1cc2ccc(nc2c(c1)O)O TS59682 [0,2,0,0,0,0|0,0,0]=2 1126 B13R2.162 c1cc2cnc(nc2c(c1)Br)Cl TS91660 [0,2,0,0,0,0|1,0,0]=3 1127 B13R2.162 c1cnc(c2c1ncc(c2)Br)Cl TS88716 [0,2,0,0,0,0|1,0,0]=3 1128 B13R2.328 CC1=Nc2ccccc2C(=O)C1 TS11136 [0,2,0,0,0,0|0,0,1]=3 1129 B13R2.328 Cc1[nH]c(=O)c2ccccc2n1 TS46422 [0,2,0,0,0,0|1,0,0]=3 1130 B13R2.328 Cc1cc(=O)oc2c1cccc2 TS42135 [0,2,0,0,0,0|1,0,0]=3 1131 B13R2.328 Cc1cc(=S)[nH]c2c1cccc2 TS13737 [0,2,0,0,0,0|0,0,1]=3 1132 B13R2.328 Cc1cc(c2ccccc2c1)C TS10737 [0,2,0,0,0,0|1,0,0]=3 1133 B13R2.328 Cc1cc(c2ccccc2n1)Cl TS14102 [0,2,0,0,0,0|0,0,0]=2 1134 B13R2.328 Cc1cc(c2ccccc2n1)N TS11011 [0,2,0,0,0,0|0,0,0]=2 1135 B13R2.328 Cc1cc(c2ccccc2n1)O TS11130 [0,2,0,0,0,0|0,0,0]=2 1136 B13R2.328 Cc1cc(c2ccccc2n1)S TS13738 [0,2,0,0,0,0|0,0,0]=2 1137 B13R2.328 Cc1cc(nc2c1cccc2)C TS10883 [0,2,0,0,0,0|0,0,0]=2 1138 B13R2.328 Cc1cc(nc2c1cccc2)Cl TS07941 [0,2,0,0,0,0|0,0,0]=2 1139 B13R2.328 Cc1cc(nc2c1cccc2)N TS41933 [0,2,0,0,0,0|0,0,0]=2 1140 B13R2.328 Cc1cc(nc2c1cccc2)O TS32798 [0,2,0,0,0,0|0,0,0]=2 1141 B13R2.328 Cc1cc2ccccc2c(=O)o1 TS42131 [0,2,0,0,0,0|2,0,0]=4 1142 B13R2.328 Cc1cc2ccccc2c(n1)Cl TS14111 [0,2,0,0,0,0|2,0,0]=4 1143 B13R2.328 Cc1cc2ccccc2n(=O)c1 TS42049 [0,2,0,0,0,0|0,0,1]=3 1144 B13R2.328 Cc1nc2ccccc2c(=O)o1 TS00093 [0,2,0,0,0,0|1,0,0]=3 1145 B13R2.328 c1c(cc(c2c1C=CCC2)Cl)Cl TS54159 [0,2,0,0,0,0|1,0,1]=4 1146 B13R2.328 c1c(cc(c2c1C=CCC2)F)F TS43025 [0,2,0,0,0,0|1,0,1]=4 1147 B13R2.328 c1cc2c([nH]c(=O)[nH]c2=O)nc1 TS09082 [0,2,0,0,0,0|2,0,0]=4 1148 B13R2.328 c1cc2c([nH]c(=O)[nH]c2=S)nc1 TS47712 [0,2,0,0,0,0|2,0,0]=4 1149 B13R2.328 c1cc2c([nH]c(=S)[nH]c2=O)nc1 TS47711 [0,2,0,0,0,0|2,0,0]=4 1150 B13R2.328 c1cc2c([nH]c(nc2=S)Cl)nc1 TS18512 [0,2,0,0,0,0|2,0,0]=4 1151 B13R2.328 c1cc2c(c(nc(n2)Cl)Cl)nc1 TS88603 [0,2,0,0,0,0|2,0,0]=4 1152 B13R2.328 c1cc2c(cc(cc2F)F)nc1 TS11982 [0,2,0,0,0,0|0,0,0]=2 1153 B13R2.328 c1cc2c(cc(nc2Cl)Cl)nc1 TS91675 [0,2,0,0,0,0|1,0,0]=3 1154 B13R2.328 c1cc2c(cc(nc2nc1)Cl)Cl TS94354 [0,2,0,0,0,0|1,0,0]=3 1155 B13R2.328 c1cc2c(nc1)nc(nc2Cl)Cl TS00618 [0,2,0,0,0,0|2,0,0]=4 1156 B13R2.328 c1cc2c(nc1)nc(nc2O)O TS42550 [0,2,0,0,0,0|2,0,0]=4 1157 B13R2.328 c1cc2cc(cc(c2nc1)N)F TS11523 [0,2,0,0,0,0|0,0,0]=2 1158 B13R2.328 c1cc2cc(cc(c2nc1)O)Cl TS14475 [0,2,0,0,0,0|0,0,0]=2 1159 B13R2.328 c1ccc2c(c1)CC(=O)OC2=O TS11500 [0,2,0,0,0,0|2,0,0]=4 1160 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(=O)[nH]2 TS01370 [0,2,0,0,0,0|1,0,1]=4 1161 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(=O)o2 TS42538 [0,2,0,0,0,0|2,0,0]=4 1162 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(n2)N TS47363 [0,2,0,0,0,0|1,0,0]=3 1163 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(n2)S TS55419 [0,2,0,0,0,0|1,0,0]=3 1164 B13R2.328 c1ccc2c(c1)c(=O)oc(=O)[nH]2 TS42535 [0,2,0,0,0,0|1,0,1]=4 1165 B13R2.328 c1ccc2c(c1)c(cc(=O)[nH]2)Br TS65122 [0,2,0,0,0,0|0,0,1]=3 1166 B13R2.328 c1ccc2c(c1)c(cc(=O)[nH]2)N TS42153 [0,2,0,0,0,0|0,0,1]=3 1167 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)Cl TS47995 [0,2,0,0,0,0|1,0,0]=3 1168 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)N TS42279 [0,2,0,0,0,0|1,0,0]=3 1169 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O TS11497 [0,2,0,0,0,0|1,0,0]=3 1170 B13R2.328 c1ccc2c(c1)c(cc(=O)s2)O TS47543 [0,2,0,0,0,0|1,0,0]=3 1171 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)Cl TS00621 [0,2,0,0,0,0|0,0,0]=2 1172 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)F TS14838 [0,2,0,0,0,0|0,0,0]=2 1173 B13R2.328 c1ccc2c(c1)c(cc(n2)N)Br TS23601 [0,2,0,0,0,0|0,0,0]=2 1174 B13R2.328 c1ccc2c(c1)c(cc(n2)N)N TS42057 [0,2,0,0,0,0|0,0,0]=2 1175 B13R2.328 c1ccc2c(c1)c(cc(n2)N)O TS47527 [0,2,0,0,0,0|0,0,0]=2 1176 B13R2.328 c1ccc2c(c1)c(cc(n2)O)O TS15096 [0,2,0,0,0,0|0,0,0]=2 1177 B13R2.328 c1ccc2c(c1)c(nc(n2)Cl)Cl TS00620 [0,2,0,0,0,0|1,0,0]=3 1178 B13R2.328 c1ccc2c(c1)c(nc(n2)Cl)N TS39268 [0,2,0,0,0,0|1,0,0]=3 1179 B13R2.328 c1ccc2c(c1)c(nc(n2)N)N TS42170 [0,2,0,0,0,0|1,0,0]=3 1180 B13R2.328 c1ccc2c(c1)cc(cc2O)O TS08742 [0,2,0,0,0,0|1,0,0]=3 1181 B13R2.328 c1ccc2c(c1)cc(nc2Br)N TS23600 [0,2,0,0,0,0|2,0,0]=4 1182 B13R2.328 c1ccc2c(c1)cc(nc2Cl)Cl TS59888 [0,2,0,0,0,0|2,0,0]=4 1183 B13R2.328 c1ccc2c(c1)nc(nn2=O)N TS42426 [0,2,0,0,0,0|2,0,0]=4 1184 B13R2.328 c1cncc2c1c(cc(c2)Cl)N TS47640 [0,2,0,0,0,0|2,0,0]=4 1185 B13R2.328 c1cncc2c1c(nc(n2)Cl)Cl TS87073 [0,2,0,0,0,0|2,0,0]=4 1186 B13R2.369 Cc1c(nc2ccccc2n1)C TS11009 [0,2,0,0,0,0|1,0,0]=3 1187 B13R2.369 Cc1c(nc2ccccc2n1)Cl TS47634 [0,2,0,0,0,0|1,0,0]=3 1188 B13R2.369 Cc1c(nc2ccccc2n1)N TS42053 [0,2,0,0,0,0|1,0,0]=3 1189 B13R2.369 Cc1c(nc2ccccc2n1)O TS42151 [0,2,0,0,0,0|1,0,0]=3 1190 B13R2.369 Cc1cc2c(cc1C)nccn2 TS41926 [0,2,0,0,0,0|1,0,0]=3 1191 B13R2.369 Cc1cc2ccccc2cc1C TS10730 [0,2,0,0,0,0|1,0,0]=3 1192 B13R2.369 Cc1cc2ccccc2nc1Br TS50053 [0,2,0,0,0,0|0,0,0]=2 1193 B13R2.369 Cc1cc2ccccc2nc1Cl TS14104 [0,2,0,0,0,0|0,0,0]=2 1194 B13R2.369 Cc1cc2ccccc2nc1N TS41930 [0,2,0,0,0,0|0,0,0]=2 1195 B13R2.369 Cc1cc2ccccc2oc1=O TS42144 [0,2,0,0,0,0|1,0,0]=3 1196 B13R2.369 Cc1cc2ccncc2cc1F TS32676 [0,2,0,0,0,0|2,0,0]=4 1197 B13R2.369 c1cc2c([nH]c(=O)c(=O)[nH]2)nc1 TS42547 [0,2,0,0,0,0|2,0,0]=4 1198 B13R2.369 c1cc2c(nc1)nc(c(n2)Cl)Cl TS18928 [0,2,0,0,0,0|2,0,0]=4 1199 B13R2.369 c1cc2cc(c(cc2nc1)F)F TS11983 [0,2,0,0,0,0|0,0,0]=2 1200 B13R2.369 c1ccc2c(c1)[nH]c(=O)c(n2)N TS91753 [0,2,0,0,0,0|1,0,0]=3 1201 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)Cl TS47997 [0,2,0,0,0,0|1,0,0]=3 1202 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)N TS93636 [0,2,0,0,0,0|1,0,0]=3 1203 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)O TS11498 [0,2,0,0,0,0|1,0,0]=3 1204 B13R2.369 c1ccc2c(c1)cc(c(n2)Br)Br TS89145 [0,2,0,0,0,0|0,0,0]=2 1205 B13R2.369 c1ccc2c(c1)cc(c(n2)Cl)Br TS26916 [0,2,0,0,0,0|0,0,0]=2 1206 B13R2.369 c1ccc2c(c1)nc(c(=O)o2)O TS42536 [0,2,0,0,0,0|1,0,0]=3 1207 B13R2.369 c1ccc2c(c1)nc(c(n2)Cl)Cl TS08792 [0,2,0,0,0,0|1,0,0]=3 1208 B13R2.369 c1ccc2c(c1)nc(c(n2)Cl)N TS91481 [0,2,0,0,0,0|1,0,0]=3 1209 B13R2.369 c1ccc2c(c1)nc(c(n2)Cl)O TS89025 [0,2,0,0,0,0|1,0,0]=3 1210 B13R2.369 c1ccc2c(c1)nc(c(n2)N)N TS42172 [0,2,0,0,0,0|1,0,0]=3 1211 B13R2.369 c1ccc2c(c1)nc(c(n2)O)O TS11508 [0,2,0,0,0,0|1,0,0]=3 1212 B13R2.369 c1ccc2c(c1)nc(c(n2)S)S TS17931 [0,2,0,0,0,0|1,0,0]=3 1213 B13R2.369 c1ccc2cc(c(cc2c1)Br)Br TS54883 [0,2,0,0,0,0|1,0,0]=3 1214 B13R2.369 c1ccc2cc(c(cc2c1)Br)Br TS65622 [0,2,0,0,0,0|1,0,0]=3 1215 B13R2.369 c1ccc2cc(c(cc2c1)Br)I TS63813 [0,2,0,0,0,0|1,0,0]=3 1216 B13R2.369 c1ccc2cc(c(cc2c1)I)I TS80354 [0,2,0,0,0,0|1,0,0]=3 1217 B13R2.369 c1ccc2cc(c(cc2c1)N)N TS00547 [0,2,0,0,0,0|1,0,0]=3 1218 B13R2.369 c1ccc2cc(c(cc2c1)N)O TS11150 [0,2,0,0,0,0|1,0,0]=3 1219 B13R2.369 c1ccc2cc(c(cc2c1)O)O TS59582 [0,2,0,0,0,0|1,0,0]=3 1220 B13R2.3683 Cc1ccc2c(c1)ccc(=O)o2 TS42129 [0,2,0,0,0,0|1,0,0]=3 1221 B13R2.3683 Cc1ccc2c(c1)ccc(n2)Br TS60271 [0,2,0,0,0,0|0,0,0]=2 1222 B13R2.3683 Cc1ccc2c(c1)ccc(n2)C TS41807 [0,2,0,0,0,0|0,0,0]=2 1223 B13R2.3683 Cc1ccc2c(c1)ccc(n2)Cl TS00938 [0,2,0,0,0,0|0,0,0]=2 1224 B13R2.3683 Cc1ccc2c(c1)ccc(n2)O TS11124 [0,2,0,0,0,0|0,0,0]=2 1225 B13R2.3683 Cc1ccc2c(c1)cnc(n2)N TS42056 [0,2,0,0,0,0|1,0,0]=3 1226 B13R2.3683 Cc1ccc2c(c1)ncc(n2)O TS01060 [0,2,0,0,0,0|1,0,0]=3 1227 B13R2.3683 Cc1ccc2cc(ccc2c1)Br TS49912 [0,2,0,0,0,0|1,0,0]=3 1228 B13R2.3683 Cc1ccc2cc(ccc2c1)F TS42175 [0,2,0,0,0,0|1,0,0]=3 1229 B13R2.3683 Cc1ccc2cc(ccc2c1)O TS10991 [0,2,0,0,0,0|1,0,0]=3 1230 B13R2.3683 Cc1ccc2cc(ccc2n1)Br TS22919 [0,2,0,0,0,0|0,0,0]=2 1231 B13R2.3683 Cc1ccc2cc(ccc2n1)Cl TS14103 [0,2,0,0,0,0|0,0,0]=2 1232 B13R2.3683 Cc1ccc2cc(ccc2n1)F TS11393 [0,2,0,0,0,0|0,0,0]=2 1233 B13R2.3683 Cc1ccc2cc(ccc2n1)N TS41914 [0,2,0,0,0,0|0,0,0]=2 1234 B13R2.3683 Cc1ccc2cc(ccc2n1)O TS42045 [0,2,0,0,0,0|0,0,0]=2 1235 B13R2.3683 c1c2cnc(nc2ncc1Br)Cl TS87147 [0,2,0,0,0,0|2,0,0]=4 1236 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)Br TS16481 [0,2,0,0,0,0|0,0,1]=3 1237 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)O TS93479 [0,2,0,0,0,0|0,0,1]=3 1238 B13R2.3683 c1cc(=O)oc2c1cc(cc2)N TS53918 [0,2,0,0,0,0|1,0,0]=3 1239 B13R2.3683 c1cc(=O)oc2c1cc(cc2)O TS42406 [0,2,0,0,0,0|1,0,0]=3 1240 B13R2.3683 c1cc(cc2c1cc(cc2)Br)Br TS00697 [0,2,0,0,0,0|1,0,0]=3 1241 B13R2.3683 c1cc(cc2c1cc(cc2)Br)F TS08359 [0,2,0,0,0,0|1,0,0]=3 1242 B13R2.3683 c1cc(cc2c1cc(cc2)Br)N TS00796 [0,2,0,0,0,0|1,0,0]=3 1243 B13R2.3683 c1cc(cc2c1cc(cc2)Br)O TS33200 [0,2,0,0,0,0|1,0,0]=3 1244 B13R2.3683 c1cc(cc2c1cc(cc2)Cl)Cl TS53803 [0,2,0,0,0,0|1,0,0]=3 1245 B13R2.3683 c1cc(cc2c1cc(cc2)O)O TS42138 [0,2,0,0,0,0|1,0,0]=3 1246 B13R2.3683 c1cc(cc2c1cc(cc2)S)S TS51558 [0,2,0,0,0,0|1,0,0]=3 1247 B13R2.3683 c1cc(cc2c1cc(nc2)Cl)Br TS87781 [0,2,0,0,0,0|2,0,0]=4 1248 B13R2.3683 c1cc(cc2c1cc(nc2)N)Br TS89312 [0,2,0,0,0,0|2,0,0]=4 1249 B13R2.3683 c1cc(nc2c1cc(cc2)Br)Cl TS55546 [0,2,0,0,0,0|0,0,0]=2 1250 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)Cl TS32896 [0,2,0,0,0,0|0,0,0]=2 1251 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)N TS47632 [0,2,0,0,0,0|0,0,0]=2 1252 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)O TS02272 [0,2,0,0,0,0|0,0,0]=2 1253 B13R2.3683 c1cc(nc2c1cc(cc2)I)Cl TS55265 [0,2,0,0,0,0|0,0,0]=2 1254 B13R2.3683 c1cc(nc2c1cc(cc2)I)O TS94279 [0,2,0,0,0,0|0,0,0]=2 1255 B13R2.3683 c1cc(nc2c1cc(cn2)Br)Cl TS90731 [0,2,0,0,0,0|1,0,0]=3 1256 B13R2.3683 c1cc2c(cc1Br)cnc(=O)[nH]2 TS55542 [0,2,0,0,0,0|1,0,1]=4 1257 B13R2.3683 c1cc2c(cc1Br)cnc(n2)Cl TS86670 [0,2,0,0,0,0|1,0,0]=3 1258 B13R2.3683 c1cc2c(cc1Br)ncc(n2)Cl TS55547 [0,2,0,0,0,0|1,0,0]=3 1259 B13R2.3683 c1cc2c(cc1Br)ncc(n2)N TS22921 [0,2,0,0,0,0|1,0,0]=3 1260 B13R2.3683 c1cc2c(cc1Cl)ncc(=O)[nH]2 TS16488 [0,2,0,0,0,0|1,0,0]=3 1261 B13R2.3683 c1cc2c(cc1Cl)ncc(n2)Cl TS54147 [0,2,0,0,0,0|1,0,0]=3 1262 B13R2.5179 Cc1c2ccc(=O)[nH]c2ccn1 TS42158 [0,2,0,0,0,0|1,0,1]=4 1263 B13R2.5179 Cc1ccc2c(c1)cc[nH]c2=O TS11140 [0,2,0,0,0,0|2,0,0]=4 1264 B13R2.5179 Cc1ccc2c(c1)ccnc2Cl TS14112 [0,2,0,0,0,0|2,0,0]=4 1265 B13R2.5179 Cc1ccc2c(c1)ccnc2N TS41929 [0,2,0,0,0,0|2,0,0]=4 1266 B13R2.5179 Cc1ccc2c(c1)ncnc2Cl TS47641 [0,2,0,0,0,0|1,0,0]=3 1267 B13R2.5179 Cc1ccc2c(cccc2c1)C TS41659 [0,2,0,0,0,0|1,0,0]=3 1268 B13R2.5179 Cc1ccc2c(cccc2n1)N TS41923 [0,2,0,0,0,0|0,0,0]=2 1269 B13R2.5179 Cc1ccc2c(ccnc2c1)Br TS50049 [0,2,0,0,0,0|0,0,0]=2 1270 B13R2.5179 Cc1ccc2c(n1)ncnc2Cl TS91381 [0,2,0,0,0,0|2,0,0]=4 1271 B13R2.5179 Cc1cccc2n1ccc(=O)n2 TS11252 [0,2,0,0,0,0|1,0,0]=3 1272 B13R2.5179 c1c(cnc2c1nc[nH]c2=O)Br TS89697 [0,2,0,0,0,0|2,0,0]=4 1273 B13R2.5179 c1c(cnc2c1ncnc2Cl)Br TS91676 [0,2,0,0,0,0|2,0,0]=4 1274 B13R2.5179 c1cc(nc2c1c(ncn2)Cl)Cl TS89272 [0,2,0,0,0,0|2,0,0]=4 1275 B13R2.5179 c1cc2c(c(c1)Cl)C=CN(O2)S TS93574 [0,2,0,0,0,0|2,0,0]=4 1276 B13R2.5179 c1cc2c(cc1Br)nc[nH]c2=O TS90348 [0,2,0,0,0,0|1,0,0]=3 1277 B13R2.5179 c1cc2c(cc1Br)ncnc2Cl TS16493 [0,2,0,0,0,0|1,0,0]=3 1278 B13R2.5179 c1cc2c(cc1Cl)ncnc2Cl TS32619 [0,2,0,0,0,0|1,0,0]=3 1279 B13R2.5179 c1cc2c(cc1F)nc[nH]c2=O TS87705 [0,2,0,0,0,0|1,0,0]=3 1280 B13R2.5179 c1cc2c(cc1F)ncnc2Cl TS09671 [0,2,0,0,0,0|1,0,0]=3 1281 B13R2.5179 c1cc2c(cc[nH]c2=O)cc1Br TS22915 [0,2,0,0,0,0|2,0,0]=4 1282 B13R2.5179 c1cc2c(cc[nH]c2=O)cc1Cl TS14473 [0,2,0,0,0,0|2,0,0]=4 1283 B13R2.5179 c1cc2c(cc[nH]c2=O)cc1N TS85760 [0,2,0,0,0,0|2,0,0]=4 1284 B13R2.5179 c1cc2c(cc[nH]c2=O)cc1O TS11367 [0,2,0,0,0,0|2,0,0]=4 1285 B13R2.5179 c1cc2c(ccc(=O)[nH]2)c(c1)O TS11377 [0,2,0,0,0,0|0,0,1]=3 1286 B13R2.5179 c1cc2c(ccc(n2)Cl)c(c1)Cl TS18555 [0,2,0,0,0,0|0,0,0]=2 1287 B13R2.5179 c1cc2c(ccnc2Cl)cc1Br TS55536 [0,2,0,0,0,0|2,0,0]=4 1288 B13R2.5179 c1cc2c(ccnc2Cl)cc1Cl TS18560 [0,2,0,0,0,0|2,0,0]=4 1289 B13R2.5179 c1cc2c(ccnc2N)cc1Br TS16470 [0,2,0,0,0,0|2,0,0]=4 1290 B13R2.5179 c1cc2c(ccnc2N)cc1Cl TS47633 [0,2,0,0,0,0|2,0,0]=4 1291 B13R2.5179 c1cc2c(ccnc2cc1Br)Br TS35019 [0,2,0,0,0,0|0,0,0]=2 1292 B13R2.5179 c1cc2c(ccnc2cc1Br)Cl TS16494 [0,2,0,0,0,0|0,0,0]=2 1293 B13R2.5179 c1cc2c(ccnc2cc1Br)N TS70905 [0,2,0,0,0,0|0,0,0]=2 1294 B13R2.5179 c1cc2c(ccnc2cc1Br)O TS16496 [0,2,0,0,0,0|0,0,0]=2 1295 B13R2.5179 c1cc2c(ccnc2cc1Cl)Br TS26917 [0,2,0,0,0,0|0,0,0]=2 1296 B13R2.5179 c1cc2c(ccnc2cc1Cl)Cl TS60042 [0,2,0,0,0,0|0,0,0]=2 1297 B13R2.5179 c1cc2c(ccnc2cc1Cl)N TS47635 [0,2,0,0,0,0|0,0,0]=2 1298 B13R2.5179 c1cc2c(ccnc2cc1Cl)O TS39795 [0,2,0,0,0,0|0,0,0]=2 1299 B13R2.5179 c1cc2c(ccnc2cc1F)Br TS70987 [0,2,0,0,0,0|0,0,0]=2 1300 B13R2.5179 c1cc2c(ccnc2cc1F)Cl TS14837 [0,2,0,0,0,0|0,0,0]=2 1301 B13R2.5179 c1cc2c(ccnc2cc1F)N TS11524 [0,2,0,0,0,0|0,0,0]=2 1302 B13R2.5179 c1cc2c(ccnc2cc1F)O TS11665 [0,2,0,0,0,0|0,0,0]=2 1303 B13R2.5179 c1cc2c(ccnc2cc1I)Cl TS55682 [0,2,0,0,0,0|0,0,0]=2 1304 B13R2.5179 c1cc2c(ccnc2cc1I)N TS30744 [0,2,0,0,0,0|0,0,0]=2 1305 B13R2.5179 c1cc2c(ccnc2cc1I)O TS71164 [0,2,0,0,0,0|0,0,0]=2 1306 B13R2.5179 c1cc2c(ccnc2cc1O)Cl TS14467 [0,2,0,0,0,0|0,0,0]=2 1307 B13R2.5179 c1cc2c(cnc(n2)Cl)c(c1)Br TS91243 [0,2,0,0,0,0|1,0,0]=3 1308 B13R2.5179 c1cc2c(cnc(n2)N)c(c1)Cl TS14478 [0,2,0,0,0,0|1,0,0]=3 1309 B13R2.5179 c1cc2cc(ccc2c(c1)N)O TS11148 [0,2,0,0,0,0|1,0,0]=3 1310 B13R2.5179 c1cc2cc(ccc2c(c1)O)N TS42041 [0,2,0,0,0,0|1,0,0]=3 1311 B13R2.5179 c1cc2cc(ccc2c(c1)O)O TS46823 [0,2,0,0,0,0|1,0,0]=3 1312 B13R2.5179 c1cc2cc(cnc2c(c1)F)I TS74315 [0,2,0,0,0,0|0,0,0]=2 1313 B13R2.5179 c1cnc2cc(cnc2c1Br)Br TS87959 [0,2,0,0,0,0|1,0,0]=3 1314 B13R2.5179 c1cnc2cc(cnc2c1Cl)Br TS89670 [0,2,0,0,0,0|1,0,0]=3 1315 B13R2.5179 c1cnc2cc(cnc2c1Cl)Cl TS63649 [0,2,0,0,0,0|1,0,0]=3 1316 B13R2.5179 c1cnc2cc(cnc2c1Cl)Cl TS90225 [0,2,0,0,0,0|1,0,0]=3 1317 B13R2.342 Cc1cccc2c1cccc2C TS10738 [0,2,0,0,0,0|1,0,0]=3 1318 B13R2.342 Cc1cccc2c1nccc2Br TS50052 [0,2,0,0,0,0|0,0,0]=2 1319 B13R2.342 Cc1cccc2c1nccc2Cl TS14109 [0,2,0,0,0,0|0,0,0]=2 1320 B13R2.342 Cc1cccc2c1nccc2N TS41932 [0,2,0,0,0,0|0,0,0]=2 1321 B13R2.342 Cc1cccc2c1nccc2O TS42048 [0,2,0,0,0,0|0,0,0]=2 1322 B13R2.342 Cc1ccnc2c1cccc2Br TS50055 [0,2,0,0,0,0|0,0,0]=2 1323 B13R2.342 c1c[nH]c2c(c1=O)ccnc2Cl TS88951 [0,2,0,0,0,0|1,0,1]=4 1324 B13R2.342 c1cc2c(c(c1)Br)ncnc2Cl TS01316 [0,2,0,0,0,0|1,0,0]=3 1325 B13R2.342 c1cc2c(cc[nH]c2=O)c(c1)Br TS50420 [0,2,0,0,0,0|2,0,0]=4 1326 B13R2.342 c1cc2c(cc[nH]c2=O)c(c1)Cl TS14469 [0,2,0,0,0,0|2,0,0]=4 1327 B13R2.342 c1cc2c(cc[nH]c2=O)c(c1)F TS11672 [0,2,0,0,0,0|2,0,0]=4 1328 B13R2.342 c1cc2c(cc[nH]c2=O)c(c1)N TS71361 [0,2,0,0,0,0|2,0,0]=4 1329 B13R2.342 c1cc2c(cccc2Br)c(c1)N TS23398 [0,2,0,0,0,0|1,0,0]=3 1330 B13R2.342 c1cc2c(cccc2Cl)c(c1)Cl TS53802 [0,2,0,0,0,0|1,0,0]=3 1331 B13R2.342 c1cc2c(cccc2I)c(c1)O TS30743 [0,2,0,0,0,0|1,0,0]=3 1332 B13R2.342 c1cc2c(cccc2N)c(c1)N TS41919 [0,2,0,0,0,0|1,0,0]=3 1333 B13R2.342 c1cc2c(cccc2O)c(c1)N TS42040 [0,2,0,0,0,0|1,0,0]=3 1334 B13R2.342 c1cc2c(cccc2O)c(c1)O TS42141 [0,2,0,0,0,0|1,0,0]=3 1335 B13R2.342 c1cc2c(cccc2S)c(c1)S TS51554 [0,2,0,0,0,0|1,0,0]=3 1336 B13R2.342 c1cc2c(ccnc2Cl)c(c1)N TS16639 [0,2,0,0,0,0|2,0,0]=4 1337 B13R2.342 c1cc2c(ccnc2O)c(c1)O TS11370 [0,2,0,0,0,0|2,0,0]=4 1338 B13R2.342 c1cc2c(ccnc2c(c1)Br)Br TS35017 [0,2,0,0,0,0|0,0,0]=2 1339 B13R2.342 c1cc2c(ccnc2c(c1)Br)Cl TS26919 [0,2,0,0,0,0|0,0,0]=2 1340 B13R2.342 c1cc2c(ccnc2c(c1)Br)N TS65118 [0,2,0,0,0,0|0,0,0]=2 1341 B13R2.342 c1cc2c(ccnc2c(c1)Br)O TS50408 [0,2,0,0,0,0|0,0,0]=2 1342 B13R2.342 c1cc2c(ccnc2c(c1)Cl)Br TS55697 [0,2,0,0,0,0|0,0,0]=2 1343 B13R2.342 c1cc2c(ccnc2c(c1)Cl)Cl TS18556 [0,2,0,0,0,0|0,0,0]=2 1344 B13R2.342 c1cc2c(ccnc2c(c1)Cl)N TS47630 [0,2,0,0,0,0|0,0,0]=2 1345 B13R2.342 c1cc2c(ccnc2c(c1)Cl)O TS55698 [0,2,0,0,0,0|0,0,0]=2 1346 B13R2.342 c1cc2c(ccnc2c(c1)F)Br TS24098 [0,2,0,0,0,0|0,0,0]=2 1347 B13R2.342 c1cc2c(ccnc2c(c1)F)N TS11521 [0,2,0,0,0,0|0,0,0]=2 1348 B13R2.342 c1cc2c(ccnc2c(c1)F)O TS11675 [0,2,0,0,0,0|0,0,0]=2 1349 B13R2.342 c1cc2c(ccnc2c(c1)I)Br TS63869 [0,2,0,0,0,0|0,0,0]=2 1350 B13R2.342 c1cc2c(ccnc2c(c1)I)Cl TS35240 [0,2,0,0,0,0|0,0,0]=2 1351 B13R2.342 c1cc2c(ccnc2c(c1)I)N TS30746 [0,2,0,0,0,0|0,0,0]=2 1352 B13R2.342 c1cc2c(ccnc2c(c1)I)O TS74083 [0,2,0,0,0,0|0,0,0]=2 1353 B13R2.342 c1cc2c(ccnc2c(c1)O)Br TS50410 [0,2,0,0,0,0|0,0,0]=2 1354 B13R2.342 c1cc2c(ccnc2c(c1)O)Cl TS47796 [0,2,0,0,0,0|0,0,0]=2 1355 B13R2.342 c1cnc(c2c1c(ccn2)Cl)Cl TS87913 [0,2,0,0,0,0|1,0,0]=3 1356 B13R2.371 Cc1ccc(c2c1cccc2)Br TS00482 [0,2,0,0,0,0|1,0,0]=3 1357 B13R2.371 Cc1ccc(c2c1cccc2)C TS41662 [0,2,0,0,0,0|1,0,0]=3 1358 B13R2.371 Cc1ccc(c2c1cccc2)O TS10992 [0,2,0,0,0,0|1,0,0]=3 1359 B13R2.371 c1cc(c2ccncc2c1Cl)Br TS85205 [0,2,0,0,0,0|2,0,0]=4 1360 B13R2.371 c1cc(c2cnccc2c1Cl)Cl TS18557 [0,2,0,0,0,0|2,0,0]=4 1361 B13R2.371 c1cc2c(c(cnc2Cl)Br)nc1 TS94364 [0,2,0,0,0,0|1,0,0]=3 1362 B13R2.371 c1cc2c(c(nnc2Cl)Cl)nc1 TS88412 [0,2,0,0,0,0|2,0,0]=4 1363 B13R2.371 c1cc2c(ccc(c2nc1)Br)Br TS35020 [0,2,0,0,0,0|0,0,0]=2 1364 B13R2.371 c1cc2c(ccc(c2nc1)N)Br TS09818 [0,2,0,0,0,0|0,0,0]=2 1365 B13R2.371 c1cc2c(ccc(c2nc1)N)Br TS23603 [0,2,0,0,0,0|0,0,0]=2 1366 B13R2.371 c1cc2c(ccc(c2nc1)N)Cl TS47642 [0,2,0,0,0,0|0,0,0]=2 1367 B13R2.371 c1cc2c(ccc(c2nc1)N)F TS71552 [0,2,0,0,0,0|0,0,0]=2 1368 B13R2.371 c1cc2c(ccc(c2nc1)O)Br TS50404 [0,2,0,0,0,0|0,0,0]=2 1369 B13R2.371 c1cc2c(ccc(c2nc1)O)Cl TS47798 [0,2,0,0,0,0|0,0,0]=2 1370 B13R2.371 c1cc2c(ccc(c2nc1)O)F TS11663 [0,2,0,0,0,0|0,0,0]=2 1371 B13R2.371 c1cc2c(ccc(c2nc1)O)N TS25348 [0,2,0,0,0,0|0,0,0]=2 1372 B13R2.371 c1cc2c(ccc(c2nc1)O)N TS42155 [0,2,0,0,0,0|0,0,0]=2 1373 B13R2.371 c1cc2c(cnc(c2nc1)Cl)Br TS88079 [0,2,0,0,0,0|1,0,0]=3 1374 B13R2.371 c1cc2c(cnc(c2nc1)O)Br TS87048 [0,2,0,0,0,0|1,0,0]=3 1375 B13R2.371 c1ccc2c(c1)C(=O)C=CC2=O TS41863 [0,2,0,0,0,0|1,0,0]=3 1376 B13R2.371 c1ccc2c(c1)c(c[nH]c2=O)Br TS03031 [0,2,0,0,0,0|2,0,0]=4 1377 B13R2.371 c1ccc2c(c1)c(c[nH]c2=O)Cl TS60054 [0,2,0,0,0,0|2,0,0]=4 1378 B13R2.371 c1ccc2c(c1)c(ccc2Br)Br TS32862 [0,2,0,0,0,0|1,0,0]=3 1379 B13R2.371 c1ccc2c(c1)c(ccc2Br)F TS52126 [0,2,0,0,0,0|1,0,0]=3 1380 B13R2.371 c1ccc2c(c1)c(ccc2Br)N TS50054 [0,2,0,0,0,0|1,0,0]=3 1381 B13R2.371 c1ccc2c(c1)c(ccc2Br)O TS70945 [0,2,0,0,0,0|1,0,0]=3 1382 B13R2.371 c1ccc2c(c1)c(ccc2Cl)Cl TS53801 [0,2,0,0,0,0|1,0,0]=3 1383 B13R2.371 c1ccc2c(c1)c(ccc2Cl)N TS14114 [0,2,0,0,0,0|1,0,0]=3 1384 B13R2.371 c1ccc2c(c1)c(ccc2Cl)N TS71519 [0,2,0,0,0,0|1,0,0]=3 1385 B13R2.371 c1ccc2c(c1)c(ccc2Cl)O TS47628 [0,2,0,0,0,0|1,0,0]=3 1386 B13R2.371 c1ccc2c(c1)c(ccc2I)N TS30627 [0,2,0,0,0,0|1,0,0]=3 1387 B13R2.371 c1ccc2c(c1)c(ccc2N)N TS94602 [0,2,0,0,0,0|1,0,0]=3 1388 B13R2.371 c1ccc2c(c1)c(ccc2O)O TS42139 [0,2,0,0,0,0|1,0,0]=3 1389 B13R2.371 c1ccc2c(c1)c(cnc2Br)Br TS35015 [0,2,0,0,0,0|2,0,0]=4 1390 B13R2.371 c1ccc2c(c1)c(cnc2Cl)Br TS70937 [0,2,0,0,0,0|2,0,0]=4 1391 B13R2.371 c1ccc2c(c1)c(cnc2Cl)Cl TS00389 [0,2,0,0,0,0|2,0,0]=4 1392 B13R2.371 c1ccc2c(c1)c(cnc2Cl)O TS47799 [0,2,0,0,0,0|2,0,0]=4 1393 B13R2.371 c1ccc2c(c1)c(cnc2I)Br TS63867 [0,2,0,0,0,0|2,0,0]=4 1394 B13R2.1613 C#Cc1cccc2c1cccn2 TS00299 [0,2,0,0,0,0|0,0,0]=2 1395 B13R2.1613 C=Cc1cccc2c1cccc2 TS10456 [0,2,0,0,0,0|1,0,0]=3 1396 B13R2.1613 CC[n+]1cccc2c1cccc2 TS34811 [0,2,0,0,0,0|0,0,1]=3 1397 B13R2.1613 CCc1cccc2c1cccc2 TS41665 [0,2,0,0,0,0|1,0,0]=3 1398 B13R2.1613 CCc1cccc2c1nccc2 TS10879 [0,2,0,0,0,0|0,0,0]=2 1399 B13R2.1613 CNc1cccc2c1cccc2 TS17753 [0,2,0,0,0,0|1,0,0]=3 1400 B13R2.1613 CNc1cccc2c1cccc2 TS56412 [0,2,0,0,0,0|1,0,0]=3 1401 B13R2.1613 COc1cccc2c1CCC=C2 TS42196 [0,2,0,0,0,0|1,0,1]=4 1402 B13R2.1613 COc1cccc2c1cccc2 TS10988 [0,2,0,0,0,0|1,0,0]=3 1403 B13R2.1613 COc1cccc2c1cncc2 TS33015 [0,2,0,0,0,0|2,0,0]=4 1404 B13R2.1613 COc1cccc2c1nccc2 TS11145 [0,2,0,0,0,0|0,0,0]=2 1405 B13R2.1613 COc1ccnc2c1cccc2 TS42047 [0,2,0,0,0,0|0,0,0]=2 1406 B13R2.1613 c1cc(c2c(c1)nccn2)C=O TS00220 [0,2,0,0,0,0|1,0,0]=3 1407 B13R2.1613 c1cc(c2cccnc2c1)C#N TS10433 [0,2,0,0,0,0|0,0,0]=2 1408 B13R2.1613 c1cc(c2cccnc2c1)C=O TS59381 [0,2,0,0,0,0|0,0,0]=2 1409 B13R2.1613 c1cc(c2cccnc2c1)CN TS08209 [0,2,0,0,0,0|0,0,0]=2 1410 B13R2.1613 c1cc(c2cccnc2c1)CO TS11146 [0,2,0,0,0,0|0,0,0]=2 1411 B13R2.1613 c1cc2cccnc2c(c1)C=O TS01871 [0,2,0,0,0,0|0,0,0]=2 1412 B13R2.1613 c1cc2cccnc2c(c1)CBr TS23396 [0,2,0,0,0,0|0,0,0]=2 1413 B13R2.1613 c1cc2cccnc2c(c1)CI TS30626 [0,2,0,0,0,0|0,0,0]=2 1414 B13R2.1613 c1cc2cccnc2c(c1)CO TS11144 [0,2,0,0,0,0|0,0,0]=2 1415 B13R2.1613 c1cc2cccnc2c(c1)NN TS53270 [0,2,0,0,0,0|0,0,0]=2 1416 B13R2.1613 c1cc2cccnc2c(c1)N[NH3+] TS53573 [0,2,0,0,0,0|0,0,0]=2 1417 B13R2.1613 c1cc2ccncc2c(c1)C=O TS55707 [0,2,0,0,0,0|2,0,0]=4 1418 B13R2.1613 c1cc2ccncc2c(c1)CN TS41921 [0,2,0,0,0,0|2,0,0]=4 1419 B13R2.1613 c1cc2ccncc2c(c1)CN TS53133 [0,2,0,0,0,0|2,0,0]=4 1420 B13R2.1613 c1cc2cncc(c2nc1)C=O TS41871 [0,2,0,0,0,0|1,0,0]=3 1421 B13R2.1613 c1cc2cnccc2c(c1)C#N TS03284 [0,2,0,0,0,0|2,0,0]=4 1422 B13R2.1613 c1cc2cnccc2c(c1)C=O TS56195 [0,2,0,0,0,0|2,0,0]=4 1423 B13R2.1613 c1cc2cnccc2c(c1)CN TS41924 [0,2,0,0,0,0|2,0,0]=4 1424 B13R2.1613 c1cc2cnccc2c(c1)CO TS11131 [0,2,0,0,0,0|2,0,0]=4 1425 B13R2.1613 c1ccc2c(c1)CCC=C2CCl TS47648 [0,2,0,0,0,0|1,0,1]=4 1426 B13R2.1613 c1ccc2c(c1)c(ccn2)C#N TS10436 [0,2,0,0,0,0|0,0,0]=2 1427 B13R2.1613 c1ccc2c(c1)c(ccn2)C=O TS03189 [0,2,0,0,0,0|0,0,0]=2 1428 B13R2.1613 c1ccc2c(c1)c(ccn2)CN TS03002 [0,2,0,0,0,0|0,0,0]=2 1429 B13R2.1613 c1ccc2c(c1)c(ccn2)CN TS17972 [0,2,0,0,0,0|0,0,0]=2 1430 B13R2.1613 c1ccc2c(c1)c(ccn2)NN TS53576 [0,2,0,0,0,0|0,0,0]=2 1431 B13R2.1613 c1ccc2c(c1)cccc2C#N TS46938 [0,2,0,0,0,0|1,0,0]=3 1432 B13R2.1613 c1ccc2c(c1)cccc2C=O TS39908 [0,2,0,0,0,0|1,0,0]=3 1433 B13R2.1613 c1ccc2c(c1)cccc2CBr TS00420 [0,2,0,0,0,0|1,0,0]=3 1434 B13R2.1613 c1ccc2c(c1)cccc2CCl TS46198 [0,2,0,0,0,0|1,0,0]=3 1435 B13R2.1613 c1ccc2c(c1)cccc2CN TS41804 [0,2,0,0,0,0|1,0,0]=3 1436 B13R2.1613 c1ccc2c(c1)cccc2CO TS10993 [0,2,0,0,0,0|1,0,0]=3 1437 B13R2.1613 c1ccc2c(c1)cccc2NN TS17974 [0,2,0,0,0,0|1,0,0]=3 1438 B13R2.1613 c1ccc2c(c1)cccc2[Mg]Br TS25106 [0,2,0,0,0,0|1,0,0]=3 1439 B13R2.1613 c1ccc2c(c1)ccnc2C#N TS10437 [0,2,0,0,0,0|2,0,0]=4 1440 B13R2.1613 c1ccc2c(c1)ccnc2C=O TS46977 [0,2,0,0,0,0|2,0,0]=4 1441 B13R2.1613 c1ccc2c(c1)ccnc2CBr TS74829 [0,2,0,0,0,0|2,0,0]=4 1442 B13R2.1613 c1ccc2c(c1)ccnc2CN TS53134 [0,2,0,0,0,0|2,0,0]=4 1443 B13R2.1613 c1ccc2c(c1)ccnc2CO TS42044 [0,2,0,0,0,0|2,0,0]=4 1444 B13R2.1613 c1ccc2c(c1)cncc2C#N TS56193 [0,2,0,0,0,0|2,0,0]=4 1445 B13R2.1613 c1ccc2c(c1)cncc2C=O TS41766 [0,2,0,0,0,0|2,0,0]=4 1446 B13R2.1613 c1ccc2c(c1)cncc2CN TS41922 [0,2,0,0,0,0|2,0,0]=4 1447 B13R2.4818 Cc1cccc2c1c(ccc2)C TS41667 [0,2,0,0,0,0|1,0,0]=3 1448 B13R2.4818 Cc1cccc2c1c(ccn2)Cl TS14106 [0,2,0,0,0,0|0,0,0]=2 1449 B13R2.4818 Cc1cccc2c1c(ccn2)O TS42046 [0,2,0,0,0,0|0,0,0]=2 1450 B13R2.4818 c1cc(c2c(=O)ccoc2c1)O TS11496 [0,2,0,0,0,0|1,0,0]=3 1451 B13R2.4818 c1cc2c(c(c1)Br)c(ncn2)Cl TS32803 [0,2,0,0,0,0|1,0,0]=3 1452 B13R2.4818 c1cc2c(c(c1)Cl)c(=O)[nH]cn2 TS14689 [0,2,0,0,0,0|1,0,0]=3 1453 B13R2.4818 c1cc2c(c(c1)Cl)c(ncn2)Cl TS54146 [0,2,0,0,0,0|1,0,0]=3 1454 B13R2.4818 c1cc2c(c(c1)F)c(ccn2)Cl TS14836 [0,2,0,0,0,0|0,0,0]=2 1455 B13R2.4818 c1cc2c(c(c1)F)c(ncn2)N TS11678 [0,2,0,0,0,0|1,0,0]=3 1456 B13R2.4818 c1cc2c(c(c1)F)c(ncn2)O TS11812 [0,2,0,0,0,0|1,0,0]=3 1457 B13R2.4818 c1cc2c(c(ccn2)N)c(c1)Cl TS47629 [0,2,0,0,0,0|0,0,0]=2 1458 B13R2.4818 c1cc2c(c(ccn2)O)c(c1)Br TS50409 [0,2,0,0,0,0|0,0,0]=2 1459 B13R2.4818 c1cc2c(c(ccn2)O)c(c1)F TS11664 [0,2,0,0,0,0|0,0,0]=2 1460 B13R2.4818 c1cc2cccc(c2c(c1)Br)Br TS54884 [0,2,0,0,0,0|1,0,0]=3 1461 B13R2.4818 c1cc2cccc(c2c(c1)F)Br TS52127 [0,2,0,0,0,0|1,0,0]=3 1462 B13R2.4818 c1cc2cccc(c2c(c1)I)I TS80355 [0,2,0,0,0,0|1,0,0]=3 1463 B13R2.4818 c1cc2cccc(c2c(c1)N)N TS11010 [0,2,0,0,0,0|1,0,0]=3 1464 B13R2.4818 c1cc2cccc(c2c(c1)O)O TS46830 [0,2,0,0,0,0|1,0,0]=3 1465 B13R2.4818 c1cc2cccc(c2c(c1)S)S TS51556 [0,2,0,0,0,0|1,0,0]=3 1466 B13R2.4818 c1cc2cccn(=O)c2c(c1)O TS11371 [0,2,0,0,0,0|0,0,1]=3 1467 B11R2.173 C=Cc1cccc2c1CC2 TS60073 [0,0,1,1,0,0|1,0,1]=4 1468 B11R2.18 c1ccc-2cccc2cc1 TS05354 [0,0,1,1,0,0|1,0,0]=3 1469 B13R3.1962 c1ccc2c(c1)C3C=CC2O3 TS01992 [0,1,0,1,0,0|1,0,1]=4 1470 B13R3.1962 c1ccc2c(c1)C3CC2C=C3 TS06721 [0,1,0,1,0,0|1,0,1]=4 1471 B9R1.12 c1cc(oc1)C=CC=O TS32492 [0,0,1,0,1,0|2,0,0]=4 1472 B9R2.3 c1cn2ccsc2n1 TS05034 [0,0,0,0,2,0|2,0,0]=4 1473 B9R2.3 c1csc2c1scc2 TS01724 [0,0,0,0,2,0|2,0,0]=4 1474 B9R2.50 c1ccc2c(c1)CC2 TS04044 [0,0,0,0,2,0|0,0,2]=4