0 B12R2.1081 CC1CCNc2c1cccc2 TS07373 [0,0,0,0,0,0|1,0,3]=4 1 B12R2.1081 CN1CCCc2c1cccc2 TS85270 [0,0,0,0,0,0|1,0,3]=4 2 B12R2.1081 C[n+]1cccc2c1cccc2 TS28781 [0,0,0,0,0,0|1,0,0]=1 3 B12R2.1081 Cc1c2ccccc2ccn1 TS00053 [0,0,0,0,0,0|1,0,0]=1 4 B12R2.1081 Cc1cccc2c1CCCC2 TS40462 [0,0,0,0,0,0|0,0,4]=4 5 B12R2.1081 Cc1cccc2c1CCCN2 TS48500 [0,0,0,0,0,0|1,0,3]=4 6 B12R2.1081 Cc1cccc2c1CCNC2 TS15210 [0,0,0,0,0,0|1,0,3]=4 7 B12R2.1081 Cc1cccc2c1NCCC2 TS01868 [0,0,0,0,0,0|1,0,3]=4 8 B12R2.1081 Cc1cccc2c1OCCN2 TS15531 [0,0,0,0,0,0|2,0,2]=4 9 B12R2.1081 Cc1cccc2c1cccc2 TS00494 [0,0,0,0,0,0|0,0,0]=0 10 B12R2.1081 Cc1cccc2c1cncc2 TS06873 [0,0,0,0,0,0|1,0,0]=1 11 B12R2.1081 Cc1cccc2c1nccc2 TS55712 [0,0,0,0,0,0|1,0,0]=1 12 B12R2.1081 Cc1cccc2c1nccn2 TS40181 [0,0,0,0,0,0|2,0,0]=2 13 B12R2.1081 Cc1cccc2c1nncc2 TS40182 [0,0,0,0,0,0|2,0,0]=2 14 B12R2.1081 Cc1ccnc2c1cccc2 TS01522 [0,0,0,0,0,0|1,0,0]=1 15 B12R2.1081 Cc1ccnc2c1cccc2 TS64278 [0,0,0,0,0,0|1,0,0]=1 16 B12R2.1081 Cc1ccnc2c1cccn2 TS40193 [0,0,0,0,0,0|2,0,0]=2 17 B12R2.1081 Cc1cncc2c1cccc2 TS06874 [0,0,0,0,0,0|1,0,0]=1 18 B12R2.1081 c1c[nH]c(=O)c2c1ccnc2 TS89677 [0,0,0,0,0,0|3,0,0]=3 19 B12R2.1081 c1c[nH]c(=O)c2c1cncc2 TS94432 [0,0,0,0,0,0|3,0,0]=3 20 B12R2.1081 c1c[nH]c2cnccc2c1=O TS87091 [0,0,0,0,0,0|3,0,0]=3 21 B12R2.1081 c1cc(c2cccnc2c1)N TS71389 [0,0,0,0,0,0|2,0,0]=2 22 B12R2.1081 c1cc2c([nH]cnc2=O)nc1 TS01663 [0,0,0,0,0,0|4,0,0]=4 23 B12R2.1081 c1cc2c(c(c1)Br)nccn2 TS94090 [0,0,0,0,0,0|3,0,0]=3 24 B12R2.1081 c1cc2c(c(c1)Cl)CCC=C2 TS11961 [0,0,0,0,0,0|1,0,2]=3 25 B12R2.1081 c1cc2c(c(c1)F)CCC=C2 TS07449 [0,0,0,0,0,0|1,0,2]=3 26 B12R2.1081 c1cc2c(c(c1)O)CC=CC2 TS07217 [0,0,0,0,0,0|1,0,2]=3 27 B12R2.1081 c1cc2c(c(c1)O)nccn2 TS03345 [0,0,0,0,0,0|3,0,0]=3 28 B12R2.1081 c1cc2c(c(ncn2)Cl)nc1 TS71075 [0,0,0,0,0,0|4,0,0]=4 29 B12R2.1081 c1cc2c(cc[nH]c2=O)nc1 TS85974 [0,0,0,0,0,0|3,0,0]=3 30 B12R2.1081 c1cc2c(cccn2)c(c1)Br TS09819 [0,0,0,0,0,0|2,0,0]=2 31 B12R2.1081 c1cc2c(cccn2)c(c1)Cl TS39771 [0,0,0,0,0,0|2,0,0]=2 32 B12R2.1081 c1cc2c(cccn2)c(c1)F TS07312 [0,0,0,0,0,0|2,0,0]=2 33 B12R2.1081 c1cc2c(cccn2)c(c1)O TS07092 [0,0,0,0,0,0|2,0,0]=2 34 B12R2.1081 c1cc2c(ccnc2Cl)nc1 TS42832 [0,0,0,0,0,0|3,0,0]=3 35 B12R2.1081 c1cc2c(cncn2)c(c1)Br TS89311 [0,0,0,0,0,0|3,0,0]=3 36 B12R2.1081 c1cc2c(nc1)ncnc2Cl TS71074 [0,0,0,0,0,0|4,0,0]=4 37 B12R2.1081 c1cc2cccnc2c(c1)Br TS01320 [0,0,0,0,0,0|2,0,0]=2 38 B12R2.1081 c1cc2cccnc2c(c1)Cl TS55700 [0,0,0,0,0,0|2,0,0]=2 39 B12R2.1081 c1cc2cccnc2c(c1)F TS33204 [0,0,0,0,0,0|2,0,0]=2 40 B12R2.1081 c1cc2cccnc2c(c1)I TS28721 [0,0,0,0,0,0|2,0,0]=2 41 B12R2.1081 c1cc2cccnc2c(c1)N TS01310 [0,0,0,0,0,0|2,0,0]=2 42 B12R2.1081 c1cc2cccnc2c(c1)O TS27898 [0,0,0,0,0,0|2,0,0]=2 43 B12R2.1081 c1cc2cccnc2c(c1)O TS59629 [0,0,0,0,0,0|2,0,0]=2 44 B12R2.1081 c1cc2cccnc2c(c1)O TS81282 [0,0,0,0,0,0|2,0,0]=2 45 B12R2.1081 c1cc2cccnc2c(c1)O TS82566 [0,0,0,0,0,0|2,0,0]=2 46 B12R2.1081 c1cc2cccnc2c(c1)S TS53924 [0,0,0,0,0,0|2,0,0]=2 47 B12R2.1081 c1cc2cccnc2c(c1)[O-] TS43188 [0,0,0,0,0,0|2,0,0]=2 48 B12R2.1081 c1cc2ccnc(c2nc1)N TS32758 [0,0,0,0,0,0|3,0,0]=3 49 B12R2.1081 c1cc2ccncc2c(c1)Br TS01318 [0,0,0,0,0,0|2,0,0]=2 50 B12R2.1081 c1cc2ccncc2c(c1)Cl TS39366 [0,0,0,0,0,0|2,0,0]=2 51 B12R2.1081 c1cc2ccncc2c(c1)F TS07311 [0,0,0,0,0,0|2,0,0]=2 52 B12R2.1081 c1cc2ccncc2c(c1)N TS01308 [0,0,0,0,0,0|2,0,0]=2 53 B12R2.1081 c1cc2ccncc2c(c1)O TS07090 [0,0,0,0,0,0|2,0,0]=2 54 B12R2.1081 c1cc2cncc(c2nc1)Br TS86045 [0,0,0,0,0,0|3,0,0]=3 55 B12R2.1081 c1cc2cnccc2c(c1)Br TS09807 [0,0,0,0,0,0|2,0,0]=2 56 B12R2.1081 c1cc2cnccc2c(c1)Cl TS71517 [0,0,0,0,0,0|2,0,0]=2 57 B12R2.1081 c1cc2cnccc2c(c1)N TS71376 [0,0,0,0,0,0|2,0,0]=2 58 B12R2.1081 c1cc2cnccc2c(c1)O TS07091 [0,0,0,0,0,0|2,0,0]=2 59 B12R2.1081 c1cc2cncnc2c(c1)Cl TS11948 [0,0,0,0,0,0|3,0,0]=3 60 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 TS00567 [0,0,0,0,0,0|2,0,2]=4 61 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 TS71085 [0,0,0,0,0,0|2,0,2]=4 62 B12R2.1081 c1ccc2c(c1)C(=O)CCS2 TS00277 [0,0,0,0,0,0|2,0,2]=4 63 B12R2.1081 c1ccc2c(c1)CCCC2=O TS07218 [0,0,0,0,0,0|1,0,3]=4 64 B12R2.1081 c1ccc2c(c1)CCNC2=O TS02547 [0,0,0,0,0,0|2,0,2]=4 65 B12R2.1081 c1ccc2c(c1)CCNC2=S TS42620 [0,0,0,0,0,0|2,0,2]=4 66 B12R2.1081 c1ccc2c(c1)CCOC2=O TS77141 [0,0,0,0,0,0|2,0,2]=4 67 B12R2.1081 c1ccc2c(c1)COC=C2O TS07416 [0,0,0,0,0,0|2,0,1]=3 68 B12R2.1081 c1ccc2c(c1)COCC2=O TS86678 [0,0,0,0,0,0|2,0,2]=4 69 B12R2.1081 c1ccc2c(c1)c(=O)cco2 TS07175 [0,0,0,0,0,0|2,0,0]=2 70 B12R2.1081 c1ccc2c(c1)c(ccn2)Br TS09615 [0,0,0,0,0,0|2,0,0]=2 71 B12R2.1081 c1ccc2c(c1)c(ccn2)Cl TS71079 [0,0,0,0,0,0|2,0,0]=2 72 B12R2.1081 c1ccc2c(c1)c(ccn2)I TS39753 [0,0,0,0,0,0|2,0,0]=2 73 B12R2.1081 c1ccc2c(c1)c(ccn2)N TS70924 [0,0,0,0,0,0|2,0,0]=2 74 B12R2.1081 c1ccc2c(c1)c(ccn2)O TS93944 [0,0,0,0,0,0|2,0,0]=2 75 B12R2.1081 c1ccc2c(c1)c(ccn2)S TS71197 [0,0,0,0,0,0|2,0,0]=2 76 B12R2.1081 c1ccc2c(c1)c(ncn2)Cl TS71078 [0,0,0,0,0,0|3,0,0]=3 77 B12R2.1081 c1ccc2c(c1)c(ncn2)N TS40307 [0,0,0,0,0,0|3,0,0]=3 78 B12R2.1081 c1ccc2c(c1)cccc2Br TS20310 [0,0,0,0,0,0|1,0,0]=1 79 B12R2.1081 c1ccc2c(c1)cccc2Cl TS11631 [0,0,0,0,0,0|1,0,0]=1 80 B12R2.1081 c1ccc2c(c1)cccc2F TS60210 [0,0,0,0,0,0|1,0,0]=1 81 B12R2.1081 c1ccc2c(c1)cccc2I TS63322 [0,0,0,0,0,0|1,0,0]=1 82 B12R2.1081 c1ccc2c(c1)cccc2N TS39905 [0,0,0,0,0,0|1,0,0]=1 83 B12R2.1081 c1ccc2c(c1)cccc2N TS47802 [0,0,0,0,0,0|1,0,0]=1 84 B12R2.1081 c1ccc2c(c1)cccc2O TS47010 [0,0,0,0,0,0|1,0,0]=1 85 B12R2.1081 c1ccc2c(c1)cccc2S TS11301 [0,0,0,0,0,0|1,0,0]=1 86 B12R2.1081 c1ccc2c(c1)ccnc2Br TS00419 [0,0,0,0,0,0|2,0,0]=2 87 B12R2.1081 c1ccc2c(c1)ccnc2Cl TS46936 [0,0,0,0,0,0|2,0,0]=2 88 B12R2.1081 c1ccc2c(c1)cn[nH]c2=O TS59343 [0,0,0,0,0,0|3,0,0]=3 89 B12R2.1081 c1ccc2c(c1)cn[nH]c2=S TS11574 [0,0,0,0,0,0|3,0,0]=3 90 B12R2.1081 c1ccc2c(c1)cncc2Br TS09609 [0,0,0,0,0,0|2,0,0]=2 91 B12R2.1081 c1ccc2c(c1)cncc2F TS07309 [0,0,0,0,0,0|2,0,0]=2 92 B12R2.1081 c1ccc2c(c1)cncc2N TS02995 [0,0,0,0,0,0|2,0,0]=2 93 B12R2.1081 c1ccc2c(c1)cncc2O TS03125 [0,0,0,0,0,0|2,0,0]=2 94 B12R2.1081 c1ccc2c(c1)cnnc2Cl TS11949 [0,0,0,0,0,0|3,0,0]=3 95 B12R2.1081 c1cnc(c2c1nccn2)Cl TS42967 [0,0,0,0,0,0|4,0,0]=4 96 B12R2.1081 c1cnc2ccncc2c1N TS40304 [0,0,0,0,0,0|3,0,0]=3 97 B12R2.1081 c1cncc2c1c(ccn2)Cl TS89403 [0,0,0,0,0,0|3,0,0]=3 98 B12R2.1081 c1cncc2c1c(ncn2)Cl TS71076 [0,0,0,0,0,0|4,0,0]=4 99 B12R2.1081 c1cncc2c1ccnc2Cl TS90648 [0,0,0,0,0,0|3,0,0]=3 100 B12R2.1081 c1cncc2c1nc[nH]c2=O TS88320 [0,0,0,0,0,0|4,0,0]=4 101 B12R2.1081 c1cncc2c1nccc2Cl TS90010 [0,0,0,0,0,0|3,0,0]=3 102 B12R2.1081 c1cncc2c1nccc2O TS07192 [0,0,0,0,0,0|3,0,0]=3 103 B12R2.1081 c1cncc2c1ncnc2Cl TS42968 [0,0,0,0,0,0|4,0,0]=4 104 B11R2.20 c1cc2c(cccn2)nc1 TS01994 [1,0,0,0,0,0|2,0,0]=3 105 B11R2.20 c1cc2c(nc1)nccn2 TS05652 [1,0,0,0,0,0|3,0,0]=4 106 B11R2.20 c1cc2cccnc2nc1 TS02110 [1,0,0,0,0,0|2,0,0]=3 107 B11R2.20 c1cc2cnccc2nc1 TS46826 [1,0,0,0,0,0|2,0,0]=3 108 B11R2.20 c1ccc2c(c1)CC=CC2 TS16693 [1,0,0,0,0,0|0,0,2]=3 109 B11R2.20 c1ccc2c(c1)CCC=C2 TS36512 [1,0,0,0,0,0|0,0,2]=3 110 B11R2.20 c1ccc2c(c1)CCN=C2 TS02548 [1,0,0,0,0,0|1,0,2]=4 111 B11R2.20 c1ccc2c(c1)ccc[nH+]2 TS72329 [1,0,0,0,0,0|1,0,0]=2 112 B11R2.20 c1ccc2c(c1)cccn2 TS05460 [1,0,0,0,0,0|1,0,0]=2 113 B11R2.20 c1ccc2c(c1)cccn2 TS12108 [1,0,0,0,0,0|1,0,0]=2 114 B11R2.20 c1ccc2c(c1)cccn2 TS77676 [1,0,0,0,0,0|1,0,0]=2 115 B11R2.20 c1ccc2c(c1)ccnn2 TS36485 [1,0,0,0,0,0|2,0,0]=3 116 B11R2.20 c1ccc2c(c1)cncn2 TS39940 [1,0,0,0,0,0|2,0,0]=3 117 B11R2.20 c1ccc2c(c1)nccn2 TS36484 [1,0,0,0,0,0|2,0,0]=3 118 B11R2.20 c1ccc2ccccc2c1 TS05355 [1,0,0,0,0,0|0,0,0]=1 119 B11R2.20 c1ccc2cnccc2c1 TS56192 [1,0,0,0,0,0|1,0,0]=2 120 B11R2.20 c1ccc2cnccc2c1 TS94810 [1,0,0,0,0,0|1,0,0]=2 121 B11R2.20 c1ccc2cnncc2c1 TS59679 [1,0,0,0,0,0|2,0,0]=3 122 B13R2.32 CC1c2ccccc2CCC1=O TS42189 [0,1,0,0,0,0|0,0,3]=4 123 B13R2.32 CN1c2ccccc2OCC1=O TS42566 [0,1,0,0,0,0|2,0,1]=4 124 B13R2.32 Cc1c(ccc2c1nccc2)Cl TS14110 [0,1,0,0,0,0|1,0,0]=2 125 B13R2.32 Cc1c2ccccc2ccc1O TS10990 [0,1,0,0,0,0|0,0,0]=1 126 B13R2.32 Cc1c2ccccc2ncc1N TS65074 [0,1,0,0,0,0|1,0,0]=2 127 B13R2.32 Cc1ccc2c(c1N)cccn2 TS41927 [0,1,0,0,0,0|2,0,0]=3 128 B13R2.32 Cc1ccc2ccccc2c1Br TS49911 [0,1,0,0,0,0|1,0,0]=2 129 B13R2.32 Cc1ccc2ccccc2c1C TS10742 [0,1,0,0,0,0|0,0,0]=1 130 B13R2.32 Cc1ccc2ccccc2c1N TS17754 [0,1,0,0,0,0|1,0,0]=2 131 B13R2.32 Cc1ccc2ccccc2c1N TS41806 [0,1,0,0,0,0|1,0,0]=2 132 B13R2.32 Cc1ccc2ccccc2c1O TS55445 [0,1,0,0,0,0|1,0,0]=2 133 B13R2.32 Cc1ccc2cccnc2c1N TS41917 [0,1,0,0,0,0|2,0,0]=3 134 B13R2.32 Cc1ccc2cnccc2c1Br TS85283 [0,1,0,0,0,0|2,0,0]=3 135 B13R2.32 Cc1cnc2ccccc2c1N TS11004 [0,1,0,0,0,0|2,0,0]=3 136 B13R2.32 Cc1coc2ccccc2c1=O TS42143 [0,1,0,0,0,0|2,0,0]=3 137 B13R2.32 Cn1c2ccccc2ccc1=O TS46987 [0,1,0,0,0,0|1,0,0]=2 138 B13R2.32 c1cc(c(c2c1ccnc2)Cl)Cl TS18559 [0,1,0,0,0,0|2,0,0]=3 139 B13R2.32 c1cc2c(c(c1N)Br)nccn2 TS01202 [0,1,0,0,0,0|3,0,0]=4 140 B13R2.32 c1cc2ccc(c(c2nc1)O)F TS11666 [0,1,0,0,0,0|2,0,0]=3 141 B13R2.32 c1ccc2c(c1)C=CC(=O)C2=O TS41864 [0,1,0,0,0,0|1,0,0]=2 142 B13R2.32 c1ccc2c(c1)C=CC(C2O)O TS11543 [0,1,0,0,0,0|1,0,2]=4 143 B13R2.32 c1ccc2c(c1)C=C[C@@H]([C@@H]2O)O TS42439 [0,1,0,0,0,0|1,0,2]=4 144 B13R2.32 c1ccc2c(c1)c(=O)c(co2)Br TS52112 [0,1,0,0,0,0|2,0,0]=3 145 B13R2.32 c1ccc2c(c1)c(c(cn2)Br)Br TS35018 [0,1,0,0,0,0|2,0,0]=3 146 B13R2.32 c1ccc2c(c1)c(c(cn2)Br)Cl TS65081 [0,1,0,0,0,0|2,0,0]=3 147 B13R2.32 c1ccc2c(c1)c(c(cn2)Br)N TS70876 [0,1,0,0,0,0|2,0,0]=3 148 B13R2.32 c1ccc2c(c1)c(c(cn2)Br)O TS50421 [0,1,0,0,0,0|2,0,0]=3 149 B13R2.32 c1ccc2c(c1)c(c(cn2)Cl)O TS66012 [0,1,0,0,0,0|2,0,0]=3 150 B13R2.32 c1ccc2c(c1)c(c(cn2)N)Br TS23602 [0,1,0,0,0,0|2,0,0]=3 151 B13R2.32 c1ccc2c(c1)c(c(cn2)N)N TS42063 [0,1,0,0,0,0|2,0,0]=3 152 B13R2.32 c1ccc2c(c1)ccc(c2Br)O TS39656 [0,1,0,0,0,0|1,0,0]=2 153 B13R2.32 c1ccc2c(c1)ccc(c2I)O TS30742 [0,1,0,0,0,0|1,0,0]=2 154 B13R2.32 c1ccc2c(c1)ccc(c2N)N TS41934 [0,1,0,0,0,0|1,0,0]=2 155 B13R2.32 c1ccc2c(c1)ccc(c2O)Br TS23598 [0,1,0,0,0,0|1,0,0]=2 156 B13R2.32 c1ccc2c(c1)ccc(c2O)F TS42429 [0,1,0,0,0,0|1,0,0]=2 157 B13R2.32 c1ccc2c(c1)ccc(c2O)N TS53566 [0,1,0,0,0,0|1,0,0]=2 158 B13R2.32 c1ccc2c(c1)ccc(c2O)O TS42142 [0,1,0,0,0,0|1,0,0]=2 159 B13R2.162 Cc1cc2c(cccc2nn1)N TS42061 [0,1,0,0,0,0|3,0,0]=4 160 B13R2.162 Cc1ccc2c(c1)c(ccn2)Cl TS14115 [0,1,0,0,0,0|2,0,0]=3 161 B13R2.162 Cc1ccc2c(c1)c(ccn2)N TS11007 [0,1,0,0,0,0|2,0,0]=3 162 B13R2.162 Cc1ccc2c(c1)c(ccn2)O TS71162 [0,1,0,0,0,0|2,0,0]=3 163 B13R2.162 Cc1ccc2c(c1)c(ncn2)Cl TS33148 [0,1,0,0,0,0|3,0,0]=4 164 B13R2.162 Cc1ccc2c(c1)c(ncn2)O TS11250 [0,1,0,0,0,0|3,0,0]=4 165 B13R2.162 Cc1ccc2cccc(c2c1)C TS10739 [0,1,0,0,0,0|0,0,0]=1 166 B13R2.162 Cc1ccc2cccc(c2c1)O TS10989 [0,1,0,0,0,0|1,0,0]=2 167 B13R2.162 Cc1ccc2cccc(c2n1)Cl TS14101 [0,1,0,0,0,0|2,0,0]=3 168 B13R2.162 Cc1ccc2cccc(c2n1)F TS11390 [0,1,0,0,0,0|2,0,0]=3 169 B13R2.162 Cc1ccc2cccc(c2n1)N TS01309 [0,1,0,0,0,0|2,0,0]=3 170 B13R2.162 Cc1ccc2cccc(c2n1)O TS85354 [0,1,0,0,0,0|2,0,0]=3 171 B13R2.162 Cc1ccc2ccnc(c2c1)O TS94880 [0,1,0,0,0,0|2,0,0]=3 172 B13R2.162 Cc1cccc2c1nc(cc2)C TS10881 [0,1,0,0,0,0|1,0,0]=2 173 B13R2.162 c1c[nH]c(=O)c2c1ncc(c2)Br TS90554 [0,1,0,0,0,0|3,0,0]=4 174 B13R2.162 c1c[nH]c2c(c1=O)cc(cn2)Br TS52121 [0,1,0,0,0,0|3,0,0]=4 175 B13R2.162 c1cc(cc2c1cc[nH]c2=O)O TS11372 [0,1,0,0,0,0|2,0,0]=3 176 B13R2.162 c1cc(cc2c1ccnc2Cl)Br TS55653 [0,1,0,0,0,0|2,0,0]=3 177 B13R2.162 c1cc(cc2c1ccnc2N)Br TS32808 [0,1,0,0,0,0|2,0,0]=3 178 B13R2.162 c1cc(cc2c1ccnc2O)Cl TS55671 [0,1,0,0,0,0|2,0,0]=3 179 B13R2.162 c1cc(nc2c1nccc2Br)Br TS85958 [0,1,0,0,0,0|3,0,0]=4 180 B13R2.162 c1cc(nc2c1nccc2Cl)Cl TS89810 [0,1,0,0,0,0|3,0,0]=4 181 B13R2.162 c1cc2c(cc(cn2)Br)c(c1)Br TS35014 [0,1,0,0,0,0|2,0,0]=3 182 B13R2.162 c1cc2c(cc1Br)c(=O)cco2 TS52113 [0,1,0,0,0,0|2,0,0]=3 183 B13R2.162 c1cc2c(cc1Br)c(ccn2)Br TS35016 [0,1,0,0,0,0|2,0,0]=3 184 B13R2.162 c1cc2c(cc1Br)c(ccn2)Cl TS55549 [0,1,0,0,0,0|2,0,0]=3 185 B13R2.162 c1cc2c(cc1Br)c(ccn2)I TS55552 [0,1,0,0,0,0|2,0,0]=3 186 B13R2.162 c1cc2c(cc1Br)c(ccn2)N TS02989 [0,1,0,0,0,0|2,0,0]=3 187 B13R2.162 c1cc2c(cc1Br)c(ccn2)O TS55550 [0,1,0,0,0,0|2,0,0]=3 188 B13R2.162 c1cc2c(cc1Br)c(ncn2)Cl TS55548 [0,1,0,0,0,0|3,0,0]=4 189 B13R2.162 c1cc2c(cc1Br)c(ncn2)N TS16479 [0,1,0,0,0,0|3,0,0]=4 190 B13R2.162 c1cc2c(cc1Cl)c(=O)[nH]cn2 TS32670 [0,1,0,0,0,0|3,0,0]=4 191 B13R2.162 c1cc2c(cc1Cl)c(=O)cco2 TS14677 [0,1,0,0,0,0|2,0,0]=3 192 B13R2.162 c1cc2c(cc1Cl)c(ccn2)Cl TS18561 [0,1,0,0,0,0|2,0,0]=3 193 B13R2.162 c1cc2c(cc1Cl)c(ccn2)N TS21827 [0,1,0,0,0,0|2,0,0]=3 194 B13R2.162 c1cc2c(cc1Cl)c(ccn2)N TS70901 [0,1,0,0,0,0|2,0,0]=3 195 B13R2.162 c1cc2c(cc1Cl)c(ccn2)O TS08423 [0,1,0,0,0,0|2,0,0]=3 196 B13R2.162 c1cc2c(cc1Cl)c(ncn2)Cl TS02918 [0,1,0,0,0,0|3,0,0]=4 197 B13R2.162 c1cc2c(cc1Cl)c(ncn2)N TS14477 [0,1,0,0,0,0|3,0,0]=4 198 B13R2.162 c1cc2c(cc1F)c(=O)[nH]cn2 TS16295 [0,1,0,0,0,0|3,0,0]=4 199 B13R2.162 c1cc2c(cc1F)c(ccn2)Cl TS09007 [0,1,0,0,0,0|2,0,0]=3 200 B13R2.162 c1cc2c(cc1F)c(ccn2)N TS11522 [0,1,0,0,0,0|2,0,0]=3 201 B13R2.162 c1cc2c(cc1F)c(ccn2)O TS16642 [0,1,0,0,0,0|2,0,0]=3 202 B13R2.162 c1cc2c(cc1F)c(ncn2)Cl TS09659 [0,1,0,0,0,0|3,0,0]=4 203 B13R2.162 c1cc2c(cc1F)c(ncn2)N TS11677 [0,1,0,0,0,0|3,0,0]=4 204 B13R2.162 c1cc2c(cc1I)C(=O)CC=N2 TS90785 [0,1,0,0,0,0|2,0,1]=4 205 B13R2.162 c1cc2c(cc1I)c(=O)[nH]cn2 TS87631 [0,1,0,0,0,0|3,0,0]=4 206 B13R2.162 c1cc2c(cc1I)c(ccn2)Cl TS35239 [0,1,0,0,0,0|2,0,0]=3 207 B13R2.162 c1cc2c(cc1I)c(ccn2)N TS30745 [0,1,0,0,0,0|2,0,0]=3 208 B13R2.162 c1cc2c(cc1I)c(ccn2)O TS71158 [0,1,0,0,0,0|2,0,0]=3 209 B13R2.162 c1cc2c(cc1I)c(ncn2)Cl TS87996 [0,1,0,0,0,0|3,0,0]=4 210 B13R2.162 c1cc2c(cc1N)c(=O)[nH]cn2 TS55530 [0,1,0,0,0,0|3,0,0]=4 211 B13R2.162 c1cc2c(cc1O)c(ccn2)Br TS50419 [0,1,0,0,0,0|2,0,0]=3 212 B13R2.162 c1cc2c(cc1O)c(ccn2)Cl TS32963 [0,1,0,0,0,0|2,0,0]=3 213 B13R2.162 c1cc2ccc(cc2c(c1)N)O TS11123 [0,1,0,0,0,0|1,0,0]=2 214 B13R2.162 c1cc2ccc(cc2c(c1)O)O TS39907 [0,1,0,0,0,0|1,0,0]=2 215 B13R2.162 c1cc2ccc(nc2c(c1)Cl)Cl TS07930 [0,1,0,0,0,0|2,0,0]=3 216 B13R2.162 c1cc2ccc(nc2c(c1)O)N TS11251 [0,1,0,0,0,0|2,0,0]=3 217 B13R2.162 c1cc2ccc(nc2c(c1)O)O TS59682 [0,1,0,0,0,0|2,0,0]=3 218 B13R2.162 c1cc2cnc(nc2c(c1)Br)Cl TS91660 [0,1,0,0,0,0|3,0,0]=4 219 B13R2.162 c1cnc(c2c1ncc(c2)Br)Cl TS88716 [0,1,0,0,0,0|3,0,0]=4 220 B13R2.328 CC1=Nc2ccccc2C(=O)C1 TS11136 [0,1,0,0,0,0|2,0,1]=4 221 B13R2.328 Cc1[nH]c(=O)c2ccccc2n1 TS46422 [0,1,0,0,0,0|3,0,0]=4 222 B13R2.328 Cc1cc(=O)oc2c1cccc2 TS42135 [0,1,0,0,0,0|1,0,0]=2 223 B13R2.328 Cc1cc(=S)[nH]c2c1cccc2 TS13737 [0,1,0,0,0,0|1,0,0]=2 224 B13R2.328 Cc1cc(c2ccccc2c1)C TS10737 [0,1,0,0,0,0|0,0,0]=1 225 B13R2.328 Cc1cc(c2ccccc2n1)Cl TS14102 [0,1,0,0,0,0|2,0,0]=3 226 B13R2.328 Cc1cc(c2ccccc2n1)N TS11011 [0,1,0,0,0,0|2,0,0]=3 227 B13R2.328 Cc1cc(c2ccccc2n1)O TS11130 [0,1,0,0,0,0|2,0,0]=3 228 B13R2.328 Cc1cc(c2ccccc2n1)S TS13738 [0,1,0,0,0,0|2,0,0]=3 229 B13R2.328 Cc1cc(nc2c1cccc2)C TS10883 [0,1,0,0,0,0|1,0,0]=2 230 B13R2.328 Cc1cc(nc2c1cccc2)Cl TS07941 [0,1,0,0,0,0|1,0,0]=2 231 B13R2.328 Cc1cc(nc2c1cccc2)N TS41933 [0,1,0,0,0,0|1,0,0]=2 232 B13R2.328 Cc1cc(nc2c1cccc2)O TS32798 [0,1,0,0,0,0|1,0,0]=2 233 B13R2.328 Cc1cc2ccccc2c(=O)o1 TS42131 [0,1,0,0,0,0|2,0,0]=3 234 B13R2.328 Cc1cc2ccccc2c(n1)Cl TS14111 [0,1,0,0,0,0|2,0,0]=3 235 B13R2.328 Cc1cc2ccccc2n(=O)c1 TS42049 [0,1,0,0,0,0|2,0,0]=3 236 B13R2.328 Cc1nc2ccccc2c(=O)o1 TS00093 [0,1,0,0,0,0|3,0,0]=4 237 B13R2.328 c1c(cc(c2c1C=CCC2)Cl)Cl TS54159 [0,1,0,0,0,0|1,0,2]=4 238 B13R2.328 c1c(cc(c2c1C=CCC2)F)F TS43025 [0,1,0,0,0,0|1,0,2]=4 239 B13R2.328 c1cc2c(cc(cc2F)F)nc1 TS11982 [0,1,0,0,0,0|2,0,0]=3 240 B13R2.328 c1cc2c(cc(nc2Cl)Cl)nc1 TS91675 [0,1,0,0,0,0|3,0,0]=4 241 B13R2.328 c1cc2c(cc(nc2nc1)Cl)Cl TS94354 [0,1,0,0,0,0|3,0,0]=4 242 B13R2.328 c1cc2cc(cc(c2nc1)N)F TS11523 [0,1,0,0,0,0|2,0,0]=3 243 B13R2.328 c1cc2cc(cc(c2nc1)O)Cl TS14475 [0,1,0,0,0,0|2,0,0]=3 244 B13R2.328 c1ccc2c(c1)CC(=O)OC2=O TS11500 [0,1,0,0,0,0|2,0,1]=4 245 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(=O)[nH]2 TS01370 [0,1,0,0,0,0|3,0,0]=4 246 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(=O)o2 TS42538 [0,1,0,0,0,0|3,0,0]=4 247 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(n2)N TS47363 [0,1,0,0,0,0|3,0,0]=4 248 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(n2)S TS55419 [0,1,0,0,0,0|3,0,0]=4 249 B13R2.328 c1ccc2c(c1)c(=O)oc(=O)[nH]2 TS42535 [0,1,0,0,0,0|3,0,0]=4 250 B13R2.328 c1ccc2c(c1)c(cc(=O)[nH]2)Br TS65122 [0,1,0,0,0,0|2,0,0]=3 251 B13R2.328 c1ccc2c(c1)c(cc(=O)[nH]2)N TS42153 [0,1,0,0,0,0|2,0,0]=3 252 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)Cl TS47995 [0,1,0,0,0,0|2,0,0]=3 253 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)N TS42279 [0,1,0,0,0,0|2,0,0]=3 254 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O TS11497 [0,1,0,0,0,0|2,0,0]=3 255 B13R2.328 c1ccc2c(c1)c(cc(=O)s2)O TS47543 [0,1,0,0,0,0|2,0,0]=3 256 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)Cl TS00621 [0,1,0,0,0,0|2,0,0]=3 257 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)F TS14838 [0,1,0,0,0,0|2,0,0]=3 258 B13R2.328 c1ccc2c(c1)c(cc(n2)N)Br TS23601 [0,1,0,0,0,0|2,0,0]=3 259 B13R2.328 c1ccc2c(c1)c(cc(n2)N)N TS42057 [0,1,0,0,0,0|2,0,0]=3 260 B13R2.328 c1ccc2c(c1)c(cc(n2)N)O TS47527 [0,1,0,0,0,0|2,0,0]=3 261 B13R2.328 c1ccc2c(c1)c(cc(n2)O)O TS15096 [0,1,0,0,0,0|2,0,0]=3 262 B13R2.328 c1ccc2c(c1)c(nc(n2)Cl)Cl TS00620 [0,1,0,0,0,0|3,0,0]=4 263 B13R2.328 c1ccc2c(c1)c(nc(n2)Cl)N TS39268 [0,1,0,0,0,0|3,0,0]=4 264 B13R2.328 c1ccc2c(c1)c(nc(n2)N)N TS42170 [0,1,0,0,0,0|3,0,0]=4 265 B13R2.328 c1ccc2c(c1)cc(cc2O)O TS08742 [0,1,0,0,0,0|1,0,0]=2 266 B13R2.328 c1ccc2c(c1)cc(nc2Br)N TS23600 [0,1,0,0,0,0|2,0,0]=3 267 B13R2.328 c1ccc2c(c1)cc(nc2Cl)Cl TS59888 [0,1,0,0,0,0|2,0,0]=3 268 B13R2.328 c1cncc2c1c(cc(c2)Cl)N TS47640 [0,1,0,0,0,0|2,0,0]=3 269 B13R2.342 Cc1cccc2c1cccc2C TS10738 [0,1,0,0,0,0|0,0,0]=1 270 B13R2.342 Cc1cccc2c1nccc2Br TS50052 [0,1,0,0,0,0|1,0,0]=2 271 B13R2.342 Cc1cccc2c1nccc2Cl TS14109 [0,1,0,0,0,0|1,0,0]=2 272 B13R2.342 Cc1cccc2c1nccc2N TS41932 [0,1,0,0,0,0|1,0,0]=2 273 B13R2.342 Cc1cccc2c1nccc2O TS42048 [0,1,0,0,0,0|1,0,0]=2 274 B13R2.342 Cc1ccnc2c1cccc2Br TS50055 [0,1,0,0,0,0|1,0,0]=2 275 B13R2.342 c1c[nH]c2c(c1=O)ccnc2Cl TS88951 [0,1,0,0,0,0|3,0,0]=4 276 B13R2.342 c1cc2c(c(c1)Br)ncnc2Cl TS01316 [0,1,0,0,0,0|3,0,0]=4 277 B13R2.342 c1cc2c(cc[nH]c2=O)c(c1)Br TS50420 [0,1,0,0,0,0|2,0,0]=3 278 B13R2.342 c1cc2c(cc[nH]c2=O)c(c1)Cl TS14469 [0,1,0,0,0,0|2,0,0]=3 279 B13R2.342 c1cc2c(cc[nH]c2=O)c(c1)F TS11672 [0,1,0,0,0,0|2,0,0]=3 280 B13R2.342 c1cc2c(cc[nH]c2=O)c(c1)N TS71361 [0,1,0,0,0,0|2,0,0]=3 281 B13R2.342 c1cc2c(cccc2Br)c(c1)N TS23398 [0,1,0,0,0,0|1,0,0]=2 282 B13R2.342 c1cc2c(cccc2Cl)c(c1)Cl TS53802 [0,1,0,0,0,0|1,0,0]=2 283 B13R2.342 c1cc2c(cccc2I)c(c1)O TS30743 [0,1,0,0,0,0|1,0,0]=2 284 B13R2.342 c1cc2c(cccc2N)c(c1)N TS41919 [0,1,0,0,0,0|1,0,0]=2 285 B13R2.342 c1cc2c(cccc2O)c(c1)N TS42040 [0,1,0,0,0,0|1,0,0]=2 286 B13R2.342 c1cc2c(cccc2O)c(c1)O TS42141 [0,1,0,0,0,0|1,0,0]=2 287 B13R2.342 c1cc2c(cccc2S)c(c1)S TS51554 [0,1,0,0,0,0|1,0,0]=2 288 B13R2.342 c1cc2c(ccnc2Cl)c(c1)N TS16639 [0,1,0,0,0,0|2,0,0]=3 289 B13R2.342 c1cc2c(ccnc2O)c(c1)O TS11370 [0,1,0,0,0,0|2,0,0]=3 290 B13R2.342 c1cc2c(ccnc2c(c1)Br)Br TS35017 [0,1,0,0,0,0|2,0,0]=3 291 B13R2.342 c1cc2c(ccnc2c(c1)Br)Cl TS26919 [0,1,0,0,0,0|2,0,0]=3 292 B13R2.342 c1cc2c(ccnc2c(c1)Br)N TS65118 [0,1,0,0,0,0|2,0,0]=3 293 B13R2.342 c1cc2c(ccnc2c(c1)Br)O TS50408 [0,1,0,0,0,0|2,0,0]=3 294 B13R2.342 c1cc2c(ccnc2c(c1)Cl)Br TS55697 [0,1,0,0,0,0|2,0,0]=3 295 B13R2.342 c1cc2c(ccnc2c(c1)Cl)Cl TS18556 [0,1,0,0,0,0|2,0,0]=3 296 B13R2.342 c1cc2c(ccnc2c(c1)Cl)N TS47630 [0,1,0,0,0,0|2,0,0]=3 297 B13R2.342 c1cc2c(ccnc2c(c1)Cl)O TS55698 [0,1,0,0,0,0|2,0,0]=3 298 B13R2.342 c1cc2c(ccnc2c(c1)F)Br TS24098 [0,1,0,0,0,0|2,0,0]=3 299 B13R2.342 c1cc2c(ccnc2c(c1)F)N TS11521 [0,1,0,0,0,0|2,0,0]=3 300 B13R2.342 c1cc2c(ccnc2c(c1)F)O TS11675 [0,1,0,0,0,0|2,0,0]=3 301 B13R2.342 c1cc2c(ccnc2c(c1)I)Br TS63869 [0,1,0,0,0,0|2,0,0]=3 302 B13R2.342 c1cc2c(ccnc2c(c1)I)Cl TS35240 [0,1,0,0,0,0|2,0,0]=3 303 B13R2.342 c1cc2c(ccnc2c(c1)I)N TS30746 [0,1,0,0,0,0|2,0,0]=3 304 B13R2.342 c1cc2c(ccnc2c(c1)I)O TS74083 [0,1,0,0,0,0|2,0,0]=3 305 B13R2.342 c1cc2c(ccnc2c(c1)O)Br TS50410 [0,1,0,0,0,0|2,0,0]=3 306 B13R2.342 c1cc2c(ccnc2c(c1)O)Cl TS47796 [0,1,0,0,0,0|2,0,0]=3 307 B13R2.342 c1cnc(c2c1c(ccn2)Cl)Cl TS87913 [0,1,0,0,0,0|3,0,0]=4 308 B13R2.371 CC1CCC(=O)c2c1cccc2 TS42188 [0,1,0,0,0,0|0,0,3]=4 309 B13R2.371 CC1CNC(=O)c2c1cccc2 TS42306 [0,1,0,0,0,0|1,0,2]=4 310 B13R2.371 Cc1c2ccccc2c(=O)[nH]n1 TS85153 [0,1,0,0,0,0|2,0,0]=3 311 B13R2.371 Cc1ccc(c2c1cccc2)Br TS00482 [0,1,0,0,0,0|0,0,0]=1 312 B13R2.371 Cc1ccc(c2c1cccc2)C TS41662 [0,1,0,0,0,0|0,0,0]=1 313 B13R2.371 Cc1ccc(c2c1cccc2)O TS10992 [0,1,0,0,0,0|0,0,0]=1 314 B13R2.371 c1cc(c2ccncc2c1Cl)Br TS85205 [0,1,0,0,0,0|2,0,0]=3 315 B13R2.371 c1cc(c2cnccc2c1Cl)Cl TS18557 [0,1,0,0,0,0|2,0,0]=3 316 B13R2.371 c1cc2c(c(cnc2Cl)Br)nc1 TS94364 [0,1,0,0,0,0|3,0,0]=4 317 B13R2.371 c1cc2c(ccc(c2nc1)Br)Br TS35020 [0,1,0,0,0,0|2,0,0]=3 318 B13R2.371 c1cc2c(ccc(c2nc1)N)Br TS09818 [0,1,0,0,0,0|2,0,0]=3 319 B13R2.371 c1cc2c(ccc(c2nc1)N)Br TS23603 [0,1,0,0,0,0|2,0,0]=3 320 B13R2.371 c1cc2c(ccc(c2nc1)N)Cl TS47642 [0,1,0,0,0,0|2,0,0]=3 321 B13R2.371 c1cc2c(ccc(c2nc1)N)F TS71552 [0,1,0,0,0,0|2,0,0]=3 322 B13R2.371 c1cc2c(ccc(c2nc1)O)Br TS50404 [0,1,0,0,0,0|2,0,0]=3 323 B13R2.371 c1cc2c(ccc(c2nc1)O)Cl TS47798 [0,1,0,0,0,0|2,0,0]=3 324 B13R2.371 c1cc2c(ccc(c2nc1)O)F TS11663 [0,1,0,0,0,0|2,0,0]=3 325 B13R2.371 c1cc2c(ccc(c2nc1)O)N TS25348 [0,1,0,0,0,0|2,0,0]=3 326 B13R2.371 c1cc2c(ccc(c2nc1)O)N TS42155 [0,1,0,0,0,0|2,0,0]=3 327 B13R2.371 c1cc2c(cnc(c2nc1)Cl)Br TS88079 [0,1,0,0,0,0|3,0,0]=4 328 B13R2.371 c1cc2c(cnc(c2nc1)O)Br TS87048 [0,1,0,0,0,0|3,0,0]=4 329 B13R2.371 c1ccc2c(c1)C(=O)C=CC2=O TS41863 [0,1,0,0,0,0|1,0,0]=2 330 B13R2.371 c1ccc2c(c1)c(=O)[nH]nc2Cl TS16335 [0,1,0,0,0,0|3,0,0]=4 331 B13R2.371 c1ccc2c(c1)c(c[nH]c2=O)Br TS03031 [0,1,0,0,0,0|2,0,0]=3 332 B13R2.371 c1ccc2c(c1)c(c[nH]c2=O)Cl TS60054 [0,1,0,0,0,0|2,0,0]=3 333 B13R2.371 c1ccc2c(c1)c(ccc2Br)Br TS32862 [0,1,0,0,0,0|1,0,0]=2 334 B13R2.371 c1ccc2c(c1)c(ccc2Br)F TS52126 [0,1,0,0,0,0|1,0,0]=2 335 B13R2.371 c1ccc2c(c1)c(ccc2Br)N TS50054 [0,1,0,0,0,0|1,0,0]=2 336 B13R2.371 c1ccc2c(c1)c(ccc2Br)O TS70945 [0,1,0,0,0,0|1,0,0]=2 337 B13R2.371 c1ccc2c(c1)c(ccc2Cl)Cl TS53801 [0,1,0,0,0,0|1,0,0]=2 338 B13R2.371 c1ccc2c(c1)c(ccc2Cl)N TS14114 [0,1,0,0,0,0|1,0,0]=2 339 B13R2.371 c1ccc2c(c1)c(ccc2Cl)N TS71519 [0,1,0,0,0,0|1,0,0]=2 340 B13R2.371 c1ccc2c(c1)c(ccc2Cl)O TS47628 [0,1,0,0,0,0|1,0,0]=2 341 B13R2.371 c1ccc2c(c1)c(ccc2I)N TS30627 [0,1,0,0,0,0|1,0,0]=2 342 B13R2.371 c1ccc2c(c1)c(ccc2N)N TS94602 [0,1,0,0,0,0|1,0,0]=2 343 B13R2.371 c1ccc2c(c1)c(ccc2O)O TS42139 [0,1,0,0,0,0|1,0,0]=2 344 B13R2.371 c1ccc2c(c1)c(cnc2Br)Br TS35015 [0,1,0,0,0,0|2,0,0]=3 345 B13R2.371 c1ccc2c(c1)c(cnc2Cl)Br TS70937 [0,1,0,0,0,0|2,0,0]=3 346 B13R2.371 c1ccc2c(c1)c(cnc2Cl)Cl TS00389 [0,1,0,0,0,0|2,0,0]=3 347 B13R2.371 c1ccc2c(c1)c(cnc2Cl)O TS47799 [0,1,0,0,0,0|2,0,0]=3 348 B13R2.371 c1ccc2c(c1)c(cnc2I)Br TS63867 [0,1,0,0,0,0|2,0,0]=3 349 B13R2.371 c1ccc2c(c1)c(nnc2Br)Br TS94335 [0,1,0,0,0,0|3,0,0]=4 350 B13R2.371 c1ccc2c(c1)c(nnc2Cl)Cl TS02108 [0,1,0,0,0,0|3,0,0]=4 351 B13R2.371 c1cncc2c1c(c[nH]c2=O)Br TS87890 [0,1,0,0,0,0|3,0,0]=4 352 B13R2.371 c1cncc2c1c(c[nH]c2=O)I TS86817 [0,1,0,0,0,0|3,0,0]=4 353 B13R2.371 c1cncc2c1c(cnc2Cl)I TS90532 [0,1,0,0,0,0|3,0,0]=4 354 B13R2.1613 C#Cc1cccc2c1cccn2 TS00299 [0,1,0,0,0,0|1,0,1]=3 355 B13R2.1613 C=Cc1cccc2c1cccc2 TS10456 [0,1,0,0,0,0|0,0,1]=2 356 B13R2.1613 CC[n+]1cccc2c1cccc2 TS34811 [0,1,0,0,0,0|1,0,0]=2 357 B13R2.1613 CCc1cccc2c1cccc2 TS41665 [0,1,0,0,0,0|0,0,0]=1 358 B13R2.1613 CCc1cccc2c1nccc2 TS10879 [0,1,0,0,0,0|1,0,0]=2 359 B13R2.1613 CNc1cccc2c1cccc2 TS17753 [0,1,0,0,0,0|0,0,0]=1 360 B13R2.1613 CNc1cccc2c1cccc2 TS56412 [0,1,0,0,0,0|0,0,0]=1 361 B13R2.1613 COc1cccc2c1CCC=C2 TS42196 [0,1,0,0,0,0|0,0,2]=3 362 B13R2.1613 COc1cccc2c1cccc2 TS10988 [0,1,0,0,0,0|0,0,0]=1 363 B13R2.1613 COc1cccc2c1cncc2 TS33015 [0,1,0,0,0,0|1,0,0]=2 364 B13R2.1613 COc1cccc2c1nccc2 TS11145 [0,1,0,0,0,0|1,0,0]=2 365 B13R2.1613 COc1ccnc2c1cccc2 TS42047 [0,1,0,0,0,0|1,0,0]=2 366 B13R2.1613 c1cc(c2c(c1)nccn2)C=O TS00220 [0,1,0,0,0,0|2,0,1]=4 367 B13R2.1613 c1cc(c2cccnc2c1)C#N TS10433 [0,1,0,0,0,0|1,0,1]=3 368 B13R2.1613 c1cc(c2cccnc2c1)C=O TS59381 [0,1,0,0,0,0|1,0,1]=3 369 B13R2.1613 c1cc(c2cccnc2c1)CN TS08209 [0,1,0,0,0,0|1,0,0]=2 370 B13R2.1613 c1cc(c2cccnc2c1)CO TS11146 [0,1,0,0,0,0|1,0,0]=2 371 B13R2.1613 c1cc2cccnc2c(c1)C=O TS01871 [0,1,0,0,0,0|1,0,1]=3 372 B13R2.1613 c1cc2cccnc2c(c1)CBr TS23396 [0,1,0,0,0,0|1,0,0]=2 373 B13R2.1613 c1cc2cccnc2c(c1)CI TS30626 [0,1,0,0,0,0|1,0,0]=2 374 B13R2.1613 c1cc2cccnc2c(c1)CO TS11144 [0,1,0,0,0,0|1,0,0]=2 375 B13R2.1613 c1cc2cccnc2c(c1)NN TS53270 [0,1,0,0,0,0|2,0,0]=3 376 B13R2.1613 c1cc2cccnc2c(c1)N[NH3+] TS53573 [0,1,0,0,0,0|2,0,0]=3 377 B13R2.1613 c1cc2ccncc2c(c1)C=O TS55707 [0,1,0,0,0,0|1,0,1]=3 378 B13R2.1613 c1cc2ccncc2c(c1)CN TS41921 [0,1,0,0,0,0|1,0,0]=2 379 B13R2.1613 c1cc2ccncc2c(c1)CN TS53133 [0,1,0,0,0,0|1,0,0]=2 380 B13R2.1613 c1cc2cncc(c2nc1)C=O TS41871 [0,1,0,0,0,0|2,0,1]=4 381 B13R2.1613 c1cc2cnccc2c(c1)C#N TS03284 [0,1,0,0,0,0|1,0,1]=3 382 B13R2.1613 c1cc2cnccc2c(c1)C=O TS56195 [0,1,0,0,0,0|1,0,1]=3 383 B13R2.1613 c1cc2cnccc2c(c1)CN TS41924 [0,1,0,0,0,0|1,0,0]=2 384 B13R2.1613 c1cc2cnccc2c(c1)CO TS11131 [0,1,0,0,0,0|1,0,0]=2 385 B13R2.1613 c1ccc2c(c1)CCC=C2CCl TS47648 [0,1,0,0,0,0|0,0,2]=3 386 B13R2.1613 c1ccc2c(c1)c(ccn2)C#N TS10436 [0,1,0,0,0,0|1,0,1]=3 387 B13R2.1613 c1ccc2c(c1)c(ccn2)C=O TS03189 [0,1,0,0,0,0|1,0,1]=3 388 B13R2.1613 c1ccc2c(c1)c(ccn2)CN TS03002 [0,1,0,0,0,0|1,0,0]=2 389 B13R2.1613 c1ccc2c(c1)c(ccn2)CN TS17972 [0,1,0,0,0,0|1,0,0]=2 390 B13R2.1613 c1ccc2c(c1)c(ccn2)NN TS53576 [0,1,0,0,0,0|2,0,0]=3 391 B13R2.1613 c1ccc2c(c1)cccc2C#N TS46938 [0,1,0,0,0,0|0,0,1]=2 392 B13R2.1613 c1ccc2c(c1)cccc2C=O TS39908 [0,1,0,0,0,0|0,0,1]=2 393 B13R2.1613 c1ccc2c(c1)cccc2CBr TS00420 [0,1,0,0,0,0|0,0,0]=1 394 B13R2.1613 c1ccc2c(c1)cccc2CCl TS46198 [0,1,0,0,0,0|0,0,0]=1 395 B13R2.1613 c1ccc2c(c1)cccc2CN TS41804 [0,1,0,0,0,0|0,0,0]=1 396 B13R2.1613 c1ccc2c(c1)cccc2CO TS10993 [0,1,0,0,0,0|0,0,0]=1 397 B13R2.1613 c1ccc2c(c1)cccc2NN TS17974 [0,1,0,0,0,0|1,0,0]=2 398 B13R2.1613 c1ccc2c(c1)cccc2[Mg]Br TS25106 [0,1,0,0,0,0|1,0,0]=2 399 B13R2.1613 c1ccc2c(c1)ccnc2C#N TS10437 [0,1,0,0,0,0|1,0,1]=3 400 B13R2.1613 c1ccc2c(c1)ccnc2C=O TS46977 [0,1,0,0,0,0|1,0,1]=3 401 B13R2.1613 c1ccc2c(c1)ccnc2CBr TS74829 [0,1,0,0,0,0|1,0,0]=2 402 B13R2.1613 c1ccc2c(c1)ccnc2CN TS53134 [0,1,0,0,0,0|1,0,0]=2 403 B13R2.1613 c1ccc2c(c1)ccnc2CO TS42044 [0,1,0,0,0,0|1,0,0]=2 404 B13R2.1613 c1ccc2c(c1)cncc2C#N TS56193 [0,1,0,0,0,0|1,0,1]=3 405 B13R2.1613 c1ccc2c(c1)cncc2C=O TS41766 [0,1,0,0,0,0|1,0,1]=3 406 B13R2.1613 c1ccc2c(c1)cncc2CN TS41922 [0,1,0,0,0,0|1,0,0]=2 407 B13R2.4818 Cc1cccc2c1C(=O)CCC2 TS01869 [0,1,0,0,0,0|0,0,3]=4 408 B13R2.4818 Cc1cccc2c1c(ccc2)C TS41667 [0,1,0,0,0,0|0,0,0]=1 409 B13R2.4818 Cc1cccc2c1c(ccn2)Cl TS14106 [0,1,0,0,0,0|1,0,0]=2 410 B13R2.4818 Cc1cccc2c1c(ccn2)O TS42046 [0,1,0,0,0,0|1,0,0]=2 411 B13R2.4818 c1cc(c2c(=O)ccoc2c1)O TS11496 [0,1,0,0,0,0|2,0,0]=3 412 B13R2.4818 c1cc2c(c(c1)Br)c(ncn2)Cl TS32803 [0,1,0,0,0,0|3,0,0]=4 413 B13R2.4818 c1cc2c(c(c1)Cl)c(=O)[nH]cn2 TS14689 [0,1,0,0,0,0|3,0,0]=4 414 B13R2.4818 c1cc2c(c(c1)Cl)c(ncn2)Cl TS54146 [0,1,0,0,0,0|3,0,0]=4 415 B13R2.4818 c1cc2c(c(c1)F)c(ccn2)Cl TS14836 [0,1,0,0,0,0|2,0,0]=3 416 B13R2.4818 c1cc2c(c(c1)F)c(ncn2)N TS11678 [0,1,0,0,0,0|3,0,0]=4 417 B13R2.4818 c1cc2c(c(c1)F)c(ncn2)O TS11812 [0,1,0,0,0,0|3,0,0]=4 418 B13R2.4818 c1cc2c(c(ccn2)N)c(c1)Cl TS47629 [0,1,0,0,0,0|2,0,0]=3 419 B13R2.4818 c1cc2c(c(ccn2)O)c(c1)Br TS50409 [0,1,0,0,0,0|2,0,0]=3 420 B13R2.4818 c1cc2c(c(ccn2)O)c(c1)F TS11664 [0,1,0,0,0,0|2,0,0]=3 421 B13R2.4818 c1cc2cccc(c2c(c1)Br)Br TS54884 [0,1,0,0,0,0|1,0,0]=2 422 B13R2.4818 c1cc2cccc(c2c(c1)F)Br TS52127 [0,1,0,0,0,0|1,0,0]=2 423 B13R2.4818 c1cc2cccc(c2c(c1)I)I TS80355 [0,1,0,0,0,0|1,0,0]=2 424 B13R2.4818 c1cc2cccc(c2c(c1)N)N TS11010 [0,1,0,0,0,0|1,0,0]=2 425 B13R2.4818 c1cc2cccc(c2c(c1)O)O TS46830 [0,1,0,0,0,0|1,0,0]=2 426 B13R2.4818 c1cc2cccc(c2c(c1)S)S TS51556 [0,1,0,0,0,0|1,0,0]=2 427 B13R2.4818 c1cc2cccn(=O)c2c(c1)O TS11371 [0,1,0,0,0,0|2,0,0]=3 428 B13R2.5179 Cc1c2ccc(=O)[nH]c2ccn1 TS42158 [0,1,0,0,0,0|2,0,0]=3 429 B13R2.5179 Cc1ccc2c(c1)cc[nH]c2=O TS11140 [0,1,0,0,0,0|2,0,0]=3 430 B13R2.5179 Cc1ccc2c(c1)ccnc2Cl TS14112 [0,1,0,0,0,0|2,0,0]=3 431 B13R2.5179 Cc1ccc2c(c1)ccnc2N TS41929 [0,1,0,0,0,0|2,0,0]=3 432 B13R2.5179 Cc1ccc2c(c1)ncnc2Cl TS47641 [0,1,0,0,0,0|3,0,0]=4 433 B13R2.5179 Cc1ccc2c(cccc2c1)C TS41659 [0,1,0,0,0,0|0,0,0]=1 434 B13R2.5179 Cc1ccc2c(cccc2n1)N TS41923 [0,1,0,0,0,0|2,0,0]=3 435 B13R2.5179 Cc1ccc2c(ccnc2c1)Br TS50049 [0,1,0,0,0,0|2,0,0]=3 436 B13R2.5179 Cc1cccc2n1ccc(=O)n2 TS11252 [0,1,0,0,0,0|2,0,0]=3 437 B13R2.5179 c1cc2c(c(c1)Cl)C=CN(O2)S TS93574 [0,1,0,0,0,0|3,0,0]=4 438 B13R2.5179 c1cc2c(cc1Br)cn[nH]c2=O TS32665 [0,1,0,0,0,0|3,0,0]=4 439 B13R2.5179 c1cc2c(cc1Br)cnnc2Cl TS86674 [0,1,0,0,0,0|3,0,0]=4 440 B13R2.5179 c1cc2c(cc1Br)nc[nH]c2=O TS90348 [0,1,0,0,0,0|3,0,0]=4 441 B13R2.5179 c1cc2c(cc1Br)ncnc2Cl TS16493 [0,1,0,0,0,0|3,0,0]=4 442 B13R2.5179 c1cc2c(cc1Cl)cn[nH]c2=O TS90513 [0,1,0,0,0,0|3,0,0]=4 443 B13R2.5179 c1cc2c(cc1Cl)cnnc2Cl TS87820 [0,1,0,0,0,0|3,0,0]=4 444 B13R2.5179 c1cc2c(cc1Cl)ncnc2Cl TS32619 [0,1,0,0,0,0|3,0,0]=4 445 B13R2.5179 c1cc2c(cc1F)nc[nH]c2=O TS87705 [0,1,0,0,0,0|3,0,0]=4 446 B13R2.5179 c1cc2c(cc1F)ncnc2Cl TS09671 [0,1,0,0,0,0|3,0,0]=4 447 B13R2.5179 c1cc2c(cc[nH]c2=O)cc1Br TS22915 [0,1,0,0,0,0|2,0,0]=3 448 B13R2.5179 c1cc2c(cc[nH]c2=O)cc1Cl TS14473 [0,1,0,0,0,0|2,0,0]=3 449 B13R2.5179 c1cc2c(cc[nH]c2=O)cc1N TS85760 [0,1,0,0,0,0|2,0,0]=3 450 B13R2.5179 c1cc2c(cc[nH]c2=O)cc1O TS11367 [0,1,0,0,0,0|2,0,0]=3 451 B13R2.5179 c1cc2c(ccc(=O)[nH]2)c(c1)O TS11377 [0,1,0,0,0,0|2,0,0]=3 452 B13R2.5179 c1cc2c(ccc(n2)Cl)c(c1)Cl TS18555 [0,1,0,0,0,0|2,0,0]=3 453 B13R2.5179 c1cc2c(ccnc2Cl)cc1Br TS55536 [0,1,0,0,0,0|2,0,0]=3 454 B13R2.5179 c1cc2c(ccnc2Cl)cc1Cl TS18560 [0,1,0,0,0,0|2,0,0]=3 455 B13R2.5179 c1cc2c(ccnc2N)cc1Br TS16470 [0,1,0,0,0,0|2,0,0]=3 456 B13R2.5179 c1cc2c(ccnc2N)cc1Cl TS47633 [0,1,0,0,0,0|2,0,0]=3 457 B13R2.5179 c1cc2c(ccnc2cc1Br)Br TS35019 [0,1,0,0,0,0|2,0,0]=3 458 B13R2.5179 c1cc2c(ccnc2cc1Br)Cl TS16494 [0,1,0,0,0,0|2,0,0]=3 459 B13R2.5179 c1cc2c(ccnc2cc1Br)N TS70905 [0,1,0,0,0,0|2,0,0]=3 460 B13R2.5179 c1cc2c(ccnc2cc1Br)O TS16496 [0,1,0,0,0,0|2,0,0]=3 461 B13R2.5179 c1cc2c(ccnc2cc1Cl)Br TS26917 [0,1,0,0,0,0|2,0,0]=3 462 B13R2.5179 c1cc2c(ccnc2cc1Cl)Cl TS60042 [0,1,0,0,0,0|2,0,0]=3 463 B13R2.5179 c1cc2c(ccnc2cc1Cl)N TS47635 [0,1,0,0,0,0|2,0,0]=3 464 B13R2.5179 c1cc2c(ccnc2cc1Cl)O TS39795 [0,1,0,0,0,0|2,0,0]=3 465 B13R2.5179 c1cc2c(ccnc2cc1F)Br TS70987 [0,1,0,0,0,0|2,0,0]=3 466 B13R2.5179 c1cc2c(ccnc2cc1F)Cl TS14837 [0,1,0,0,0,0|2,0,0]=3 467 B13R2.5179 c1cc2c(ccnc2cc1F)N TS11524 [0,1,0,0,0,0|2,0,0]=3 468 B13R2.5179 c1cc2c(ccnc2cc1F)O TS11665 [0,1,0,0,0,0|2,0,0]=3 469 B13R2.5179 c1cc2c(ccnc2cc1I)Cl TS55682 [0,1,0,0,0,0|2,0,0]=3 470 B13R2.5179 c1cc2c(ccnc2cc1I)N TS30744 [0,1,0,0,0,0|2,0,0]=3 471 B13R2.5179 c1cc2c(ccnc2cc1I)O TS71164 [0,1,0,0,0,0|2,0,0]=3 472 B13R2.5179 c1cc2c(ccnc2cc1O)Cl TS14467 [0,1,0,0,0,0|2,0,0]=3 473 B13R2.5179 c1cc2c(cnc(n2)Cl)c(c1)Br TS91243 [0,1,0,0,0,0|3,0,0]=4 474 B13R2.5179 c1cc2c(cnc(n2)N)c(c1)Cl TS14478 [0,1,0,0,0,0|3,0,0]=4 475 B13R2.5179 c1cc2cc(ccc2c(c1)N)O TS11148 [0,1,0,0,0,0|1,0,0]=2 476 B13R2.5179 c1cc2cc(ccc2c(c1)O)N TS42041 [0,1,0,0,0,0|1,0,0]=2 477 B13R2.5179 c1cc2cc(ccc2c(c1)O)O TS46823 [0,1,0,0,0,0|1,0,0]=2 478 B13R2.5179 c1cc2cc(cnc2c(c1)F)I TS74315 [0,1,0,0,0,0|2,0,0]=3 479 B13R2.5179 c1cnc2cc(cnc2c1Br)Br TS87959 [0,1,0,0,0,0|3,0,0]=4 480 B13R2.5179 c1cnc2cc(cnc2c1Cl)Br TS89670 [0,1,0,0,0,0|3,0,0]=4 481 B13R2.5179 c1cnc2cc(cnc2c1Cl)Cl TS63649 [0,1,0,0,0,0|3,0,0]=4 482 B13R2.5179 c1cnc2cc(cnc2c1Cl)Cl TS90225 [0,1,0,0,0,0|3,0,0]=4 483 B11R1.13 C=CCc1cccc(c1O)Cl TS44953 [0,0,1,0,0,0|2,0,1]=4 484 B11R1.13 Cc1cccc(c1O)CC=C TS07465 [0,0,1,0,0,0|1,0,1]=3 485 B11R1.16 C=CCC(c1ccccc1)O TS07476 [0,0,1,0,0,0|1,0,2]=4 486 B11R1.16 C=CCS(=O)c1ccccc1 TS12278 [0,0,1,0,0,0|2,0,1]=4 487 B11R1.16 C=COC(=O)c1ccccc1 TS07417 [0,0,1,0,0,0|2,0,0]=3 488 B11R1.16 CC(=CCO)c1ccccc1 TS07480 [0,0,1,0,0,0|1,0,1]=3 489 B11R1.16 CC(CC=O)c1ccccc1 TS40655 [0,0,1,0,0,0|1,0,2]=4 490 B11R1.16 CC(c1ccccc1)NC=O TS40754 [0,0,1,0,0,0|2,0,1]=4 491 B11R1.16 CC=CC(=O)c1ccccc1 TS07230 [0,0,1,0,0,0|1,0,1]=3 492 B11R1.16 CC=CC(c1ccccc1)O TS07464 [0,0,1,0,0,0|1,0,2]=4 493 B11R1.16 CCC=C(C)c1ccccc1 TS07266 [0,0,1,0,0,0|0,0,2]=3 494 B11R1.16 CN(CC=C)c1ccccc1 TS40564 [0,0,1,0,0,0|1,0,1]=3 495 B11R1.16 c1ccc(cc1)C(=CC#N)Cl TS11769 [0,0,1,0,0,0|2,0,1]=4 496 B11R1.16 c1ccc(cc1)C(=O)C=NO TS40717 [0,0,1,0,0,0|3,0,0]=4 497 B11R1.16 c1ccc(cc1)C(=O)C=[N+]=[N-] TS40403 [0,0,1,0,0,0|3,0,0]=4 498 B11R1.17 C=CCCc1ccccc1Br TS43954 [0,0,1,0,0,0|1,0,2]=4 499 B11R1.17 C=CCOc1ccccc1Cl TS44954 [0,0,1,0,0,0|2,0,1]=4 500 B11R1.17 C=CCOc1ccccc1O TS09860 [0,0,1,0,0,0|2,0,1]=4 501 B11R1.17 c1ccc(c(c1)C=CC=O)Br TS21065 [0,0,1,0,0,0|2,0,0]=3 502 B11R1.17 c1ccc(c(c1)C=CC=O)Cl TS12303 [0,0,1,0,0,0|2,0,0]=3 503 B11R1.17 c1ccc(c(c1)C=CC=O)O TS07424 [0,0,1,0,0,0|2,0,0]=3 504 B11R1.24 c1cc(cc(c1)Br)C=CC=O TS21060 [0,0,1,0,0,0|2,0,0]=3 505 B11R1.28 CC=CCCc1ccncc1 TS07375 [0,0,1,0,0,0|1,0,2]=4 506 B11R1.28 CCCC=Cc1ccccc1 TS07261 [0,0,1,0,0,0|0,0,2]=3 507 B11R1.28 CCOC=Nc1ccccc1 TS07575 [0,0,1,0,0,0|2,0,1]=4 508 B11R1.28 c1ccc(cc1)C=CC=NO TS40519 [0,0,1,0,0,0|2,0,0]=3 509 B11R1.41 C=CCc1ccccc1CO TS07463 [0,0,1,0,0,0|1,0,2]=4 510 B11R1.41 COc1ccccc1C=NO TS41005 [0,0,1,0,0,0|3,0,0]=4 511 B11R1.41 COc1ccccc1CC=C TS07469 [0,0,1,0,0,0|1,0,1]=3 512 B11R1.53 B(c1ccccc1C=C)(O)O TS07979 [0,0,1,0,0,0|3,0,0]=4 513 B11R1.53 CC(=O)c1ccccc1C#N TS07089 [0,0,1,0,0,0|2,0,1]=4 514 B11R1.53 CC(=O)c1ccccc1OC TS09870 [0,0,1,0,0,0|2,0,1]=4 515 B11R1.53 CC(C)c1ccccc1C=O TS55413 [0,0,1,0,0,0|1,0,2]=4 516 B11R1.53 CN(C)c1ccccc1C=O TS00515 [0,0,1,0,0,0|2,0,1]=4 517 B11R1.53 c1ccc(c(c1)C=O)C(=O)O TS07648 [0,0,1,0,0,0|3,0,0]=4 518 B11R1.222 CC(=NO)c1ccccc1O TS10031 [0,0,1,0,0,0|3,0,0]=4 519 B11R1.605 Cc1cccc(c1NC=O)C TS40749 [0,0,1,0,0,0|2,0,1]=4 520 B13R3.1962 c1ccc2c(c1)C3C=CC2O3 TS01992 [0,0,0,1,0,0|1,0,2]=4 521 B13R3.1962 c1ccc2c(c1)C3CC2C=C3 TS06721 [0,0,0,1,0,0|0,0,2]=3 522 B11R2.1 CC1C=Cc2c1cccc2 TS36509 [0,0,0,0,1,0|0,0,1]=2 523 B11R2.1 CC1CNc2c1cccc2 TS05845 [0,0,0,0,1,0|1,0,2]=4 524 B11R2.1 CN1CCc2c1cccc2 TS36778 [0,0,0,0,1,0|1,0,2]=4 525 B11R2.1 Cc1c2c(cccn2)[nH]n1 TS89959 [0,0,0,0,1,0|3,0,0]=4 526 B11R2.1 Cc1c2ccccc2[nH]n1 TS70652 [0,0,0,0,1,0|2,0,0]=3 527 B11R2.1 Cc1c2ccccc2[nH]n1 TS91059 [0,0,0,0,1,0|2,0,0]=3 528 B11R2.1 Cc1c2ccccc2on1 TS36752 [0,0,0,0,1,0|2,0,0]=3 529 B11R2.1 Cc1c2ccccn2cn1 TS36686 [0,0,0,0,1,0|2,0,0]=3 530 B11R2.1 Cc1c2cccnc2[nH]n1 TS88546 [0,0,0,0,1,0|3,0,0]=4 531 B11R2.1 Cc1c2ccncc2[nH]n1 TS89013 [0,0,0,0,1,0|3,0,0]=4 532 B11R2.1 Cc1c2cnccc2[nH]n1 TS88623 [0,0,0,0,1,0|3,0,0]=4 533 B11R2.1 Cc1c[nH]c2c1cccc2 TS02848 [0,0,0,0,1,0|1,0,0]=2 534 B11R2.1 Cc1c[nH]c2c1cccn2 TS05738 [0,0,0,0,1,0|2,0,0]=3 535 B11R2.1 Cc1c[nH]c2c1nccc2 TS36677 [0,0,0,0,1,0|2,0,0]=3 536 B11R2.1 Cc1coc2c1cccc2 TS36667 [0,0,0,0,1,0|1,0,0]=2 537 B11R2.1 Cc1csc2c1cccc2 TS07495 [0,0,0,0,1,0|1,0,0]=2 538 B11R2.1 Cn1c2ccccc2cn1 TS36679 [0,0,0,0,1,0|2,0,0]=3 539 B11R2.1 Cn1c2ccccc2nn1 TS01810 [0,0,0,0,1,0|3,0,0]=4 540 B11R2.1 Cn1ccc2c1cccc2 TS00492 [0,0,0,0,1,0|1,0,0]=2 541 B11R2.1 Cn1cnc2c1cccc2 TS36688 [0,0,0,0,1,0|2,0,0]=3 542 B11R2.1 c1cc2c(c(c[nH]2)Br)nc1 TS18390 [0,0,0,0,1,0|3,0,0]=4 543 B11R2.1 c1cc2c(c(c[nH]2)Cl)nc1 TS10255 [0,0,0,0,1,0|3,0,0]=4 544 B11R2.1 c1cc2c(c(c[nH]2)I)nc1 TS61934 [0,0,0,0,1,0|3,0,0]=4 545 B11R2.1 c1cc2c(c(cs2)Br)nc1 TS90067 [0,0,0,0,1,0|3,0,0]=4 546 B11R2.1 c1cc2c(c[nH]c2nc1)Br TS09471 [0,0,0,0,1,0|3,0,0]=4 547 B11R2.1 c1cc2c(c[nH]c2nc1)Cl TS41209 [0,0,0,0,1,0|3,0,0]=4 548 B11R2.1 c1cc2c(c[nH]c2nc1)I TS02807 [0,0,0,0,1,0|3,0,0]=4 549 B11R2.1 c1cc2c(c[nH]c2nc1)I TS85593 [0,0,0,0,1,0|3,0,0]=4 550 B11R2.1 c1cc2c(c[nH]c2nc1)N TS59907 [0,0,0,0,1,0|3,0,0]=4 551 B11R2.1 c1cc2c(c[nH]c2nc1)N TS65873 [0,0,0,0,1,0|3,0,0]=4 552 B11R2.1 c1ccc2c(c1)C(=O)CO2 TS05876 [0,0,0,0,1,0|2,0,1]=4 553 B11R2.1 c1ccc2c(c1)CC=C2Br TS51953 [0,0,0,0,1,0|1,0,1]=3 554 B11R2.1 c1ccc2c(c1)CCC2=O TS46969 [0,0,0,0,1,0|1,0,2]=4 555 B11R2.1 c1ccc2c(c1)CN=C2N TS12625 [0,0,0,0,1,0|2,0,1]=4 556 B11R2.1 c1ccc2c(c1)COC2=O TS36800 [0,0,0,0,1,0|2,0,1]=4 557 B11R2.1 c1ccc2c(c1)COC2=O TS94299 [0,0,0,0,1,0|2,0,1]=4 558 B11R2.1 c1ccc2c(c1)c(=O)[nH]s2 TS93611 [0,0,0,0,1,0|3,0,0]=4 559 B11R2.1 c1ccc2c(c1)c(=O)ss2 TS12573 [0,0,0,0,1,0|3,0,0]=4 560 B11R2.1 c1ccc2c(c1)c(c[nH]2)Br TS65948 [0,0,0,0,1,0|2,0,0]=3 561 B11R2.1 c1ccc2c(c1)c(c[nH]2)F TS05986 [0,0,0,0,1,0|2,0,0]=3 562 B11R2.1 c1ccc2c(c1)c(c[nH]2)I TS26960 [0,0,0,0,1,0|2,0,0]=3 563 B11R2.1 c1ccc2c(c1)c(c[nH]2)O TS70623 [0,0,0,0,1,0|2,0,0]=3 564 B11R2.1 c1ccc2c(c1)c(co2)Br TS18385 [0,0,0,0,1,0|2,0,0]=3 565 B11R2.1 c1ccc2c(c1)c(cs2)Br TS65900 [0,0,0,0,1,0|2,0,0]=3 566 B11R2.1 c1ccc2c(c1)c(cs2)I TS29427 [0,0,0,0,1,0|2,0,0]=3 567 B11R2.1 c1ccc2c(c1)c(cs2)O TS70621 [0,0,0,0,1,0|2,0,0]=3 568 B11R2.1 c1ccc2c(c1)c(n[nH]2)Br TS65947 [0,0,0,0,1,0|3,0,0]=4 569 B11R2.1 c1ccc2c(c1)c(n[nH]2)Cl TS09510 [0,0,0,0,1,0|3,0,0]=4 570 B11R2.1 c1ccc2c(c1)c(n[nH]2)I TS02806 [0,0,0,0,1,0|3,0,0]=4 571 B11R2.1 c1ccc2c(c1)c(n[nH]2)N TS46951 [0,0,0,0,1,0|3,0,0]=4 572 B11R2.1 c1ccc2c(c1)c(n[nH]2)O TS05879 [0,0,0,0,1,0|3,0,0]=4 573 B11R2.1 c1ccc2c(c1)c(no2)Cl TS09509 [0,0,0,0,1,0|3,0,0]=4 574 B11R2.1 c1ccc2c(c1)c(no2)N TS46773 [0,0,0,0,1,0|3,0,0]=4 575 B11R2.1 c1ccc2c(c1)c(no2)O TS01879 [0,0,0,0,1,0|3,0,0]=4 576 B11R2.1 c1ccc2c(c1)c(ns2)Cl TS12734 [0,0,0,0,1,0|3,0,0]=4 577 B11R2.1 c1ccc2c(c1)c(ns2)N TS46772 [0,0,0,0,1,0|3,0,0]=4 578 B11R2.1 c1ccc2c(c1)ccn2N TS64998 [0,0,0,0,1,0|2,0,0]=3 579 B11R2.1 c1ccc2c(c1)ccs2=O TS40887 [0,0,0,0,1,0|2,0,0]=3 580 B11R2.1 c1ccc2c(c1)ncn2N TS05823 [0,0,0,0,1,0|3,0,0]=4 581 B11R2.1 c1ccn2c(c1)c(cn2)Br TS18400 [0,0,0,0,1,0|3,0,0]=4 582 B11R2.1 c1ccn2c(c1)c(cn2)N TS36762 [0,0,0,0,1,0|3,0,0]=4 583 B11R2.1 c1ccn2c(c1)ncc2Br TS60010 [0,0,0,0,1,0|3,0,0]=4 584 B11R2.1 c1ccn2c(c1)ncc2Cl TS10249 [0,0,0,0,1,0|3,0,0]=4 585 B11R2.1 c1ccn2c(c1)ncc2I TS61936 [0,0,0,0,1,0|3,0,0]=4 586 B11R2.1 c1ccn2c(c1)ncc2N TS36759 [0,0,0,0,1,0|3,0,0]=4 587 B11R2.1 c1ccn2cnc(c2c1)Br TS18393 [0,0,0,0,1,0|3,0,0]=4 588 B11R2.1 c1cncc2c1[nH]cc2Br TS18397 [0,0,0,0,1,0|3,0,0]=4 589 B11R2.1 c1cncc2c1[nH]cc2I TS61938 [0,0,0,0,1,0|3,0,0]=4 590 B11R2.1 c1cncc2c1[nH]cc2N TS36758 [0,0,0,0,1,0|3,0,0]=4 591 B11R2.1 c1cncc2c1c(c[nH]2)Br TS18399 [0,0,0,0,1,0|3,0,0]=4 592 B11R2.1 c1cncc2c1c(c[nH]2)I TS61932 [0,0,0,0,1,0|3,0,0]=4 593 B11R2.106 Cc1c2cc[nH]c2ncn1 TS86397 [0,0,0,0,1,0|3,0,0]=4 594 B11R2.106 Cc1cccc2c1NCC2 TS39800 [0,0,0,0,1,0|1,0,2]=4 595 B11R2.106 Cc1cccc2c1[nH]cc2 TS09161 [0,0,0,0,1,0|1,0,0]=2 596 B11R2.106 Cc1cccc2c1[nH]nc2 TS55690 [0,0,0,0,1,0|2,0,0]=3 597 B11R2.106 Cc1cccc2c1cc[nH]2 TS03171 [0,0,0,0,1,0|1,0,0]=2 598 B11R2.106 Cc1cccc2c1ccs2 TS60064 [0,0,0,0,1,0|1,0,0]=2 599 B11R2.106 Cc1cccc2c1cn[nH]2 TS71225 [0,0,0,0,1,0|2,0,0]=3 600 B11R2.106 Cc1cccc2c1n[nH]n2 TS93653 [0,0,0,0,1,0|3,0,0]=4 601 B11R2.106 Cc1cccc2c1nsn2 TS09906 [0,0,0,0,1,0|3,0,0]=4 602 B11R2.106 Cc1cccc2c1scc2 TS07497 [0,0,0,0,1,0|1,0,0]=2 603 B11R2.106 Cc1cccc2n1ccn2 TS05743 [0,0,0,0,1,0|2,0,0]=3 604 B11R2.106 Cc1cccn2c1ncc2 TS36682 [0,0,0,0,1,0|2,0,0]=3 605 B11R2.106 Cc1ccnc2c1[nH]cc2 TS89666 [0,0,0,0,1,0|2,0,0]=3 606 B11R2.106 Cc1ccnc2c1cc[nH]2 TS36680 [0,0,0,0,1,0|2,0,0]=3 607 B11R2.106 Cc1ccnc2c1nc[nH]2 TS90699 [0,0,0,0,1,0|3,0,0]=4 608 B11R2.106 Cc1cncc2c1cc[nH]2 TS05751 [0,0,0,0,1,0|2,0,0]=3 609 B11R2.106 c1c[nH]c(=O)c2c1cco2 TS91070 [0,0,0,0,1,0|3,0,0]=4 610 B11R2.106 c1c[nH]c(=O)c2c1occ2 TS05968 [0,0,0,0,1,0|3,0,0]=4 611 B11R2.106 c1c[nH]c2c1c(ccn2)Br TS70986 [0,0,0,0,1,0|3,0,0]=4 612 B11R2.106 c1c[nH]c2c1c(ccn2)Cl TS09669 [0,0,0,0,1,0|3,0,0]=4 613 B11R2.106 c1c[nH]c2c1c(ccn2)F TS87003 [0,0,0,0,1,0|3,0,0]=4 614 B11R2.106 c1c[nH]c2c1c(ccn2)N TS70904 [0,0,0,0,1,0|3,0,0]=4 615 B11R2.106 c1c[nH]c2c1c(ccn2)O TS71163 [0,0,0,0,1,0|3,0,0]=4 616 B11R2.106 c1c[nH]c2c1c(cnc2)Br TS18388 [0,0,0,0,1,0|3,0,0]=4 617 B11R2.106 c1c[nH]c2c1c(cnc2)Cl TS41213 [0,0,0,0,1,0|3,0,0]=4 618 B11R2.106 c1c[nH]c2c1c(cnc2)F TS92398 [0,0,0,0,1,0|3,0,0]=4 619 B11R2.106 c1c[nH]c2c1c(ncc2)Br TS18396 [0,0,0,0,1,0|3,0,0]=4 620 B11R2.106 c1c[nH]c2c1c(ncc2)Cl TS71014 [0,0,0,0,1,0|3,0,0]=4 621 B11R2.106 c1c[nH]c2c1c(ncc2)N TS46962 [0,0,0,0,1,0|3,0,0]=4 622 B11R2.106 c1c[nH]c2c1cc[nH]c2=O TS01995 [0,0,0,0,1,0|3,0,0]=4 623 B11R2.106 c1c[nH]c2c1ccnc2Br TS55658 [0,0,0,0,1,0|3,0,0]=4 624 B11R2.106 c1c[nH]c2c1ccnc2Cl TS55670 [0,0,0,0,1,0|3,0,0]=4 625 B11R2.106 c1c[nH]c2c1ccnc2N TS36765 [0,0,0,0,1,0|3,0,0]=4 626 B11R2.106 c1c[nH]c2c1cncc2Br TS85143 [0,0,0,0,1,0|3,0,0]=4 627 B11R2.106 c1c[nH]c2c1cncc2F TS90493 [0,0,0,0,1,0|3,0,0]=4 628 B11R2.106 c1c[nH]c2c1nccc2Br TS18387 [0,0,0,0,1,0|3,0,0]=4 629 B11R2.106 c1c[nH]c2c1nccc2Cl TS10258 [0,0,0,0,1,0|3,0,0]=4 630 B11R2.106 c1c[nH]c2c1nccc2F TS89406 [0,0,0,0,1,0|3,0,0]=4 631 B11R2.106 c1c[nH]c2c1nccc2N TS01296 [0,0,0,0,1,0|3,0,0]=4 632 B11R2.106 c1cc(c2c(c1)[nH]cn2)N TS02784 [0,0,0,0,1,0|3,0,0]=4 633 B11R2.106 c1cc(c2c(c1)ncs2)N TS09903 [0,0,0,0,1,0|3,0,0]=4 634 B11R2.106 c1cc(c2c(c1)ocn2)N TS36818 [0,0,0,0,1,0|3,0,0]=4 635 B11R2.106 c1cc(c2c(c1)scn2)O TS71169 [0,0,0,0,1,0|3,0,0]=4 636 B11R2.106 c1cc(c2cc[nH]c2c1)N TS02994 [0,0,0,0,1,0|2,0,0]=3 637 B11R2.106 c1cc(c2ccsc2c1)N TS00402 [0,0,0,0,1,0|2,0,0]=3 638 B11R2.106 c1cc(c2cn[nH]c2c1)N TS88817 [0,0,0,0,1,0|3,0,0]=4 639 B11R2.106 c1cc(c2nccn2c1)Br TS01317 [0,0,0,0,1,0|3,0,0]=4 640 B11R2.106 c1cc(c2nccn2c1)Br TS92588 [0,0,0,0,1,0|3,0,0]=4 641 B11R2.106 c1cc(c2nccn2c1)N TS56183 [0,0,0,0,1,0|3,0,0]=4 642 B11R2.106 c1cc(n2ccnc2c1)N TS56182 [0,0,0,0,1,0|3,0,0]=4 643 B11R2.106 c1cc2c(=O)[nH]ccn2c1 TS86292 [0,0,0,0,1,0|3,0,0]=4 644 B11R2.106 c1cc2c(=O)cc[nH]n2c1 TS90492 [0,0,0,0,1,0|3,0,0]=4 645 B11R2.106 c1cc2c(c(c1)Br)nco2 TS32797 [0,0,0,0,1,0|3,0,0]=4 646 B11R2.106 c1cc2c(c(c1)Br)ocn2 TS53947 [0,0,0,0,1,0|3,0,0]=4 647 B11R2.106 c1cc2c(c(c1)Br)scn2 TS87473 [0,0,0,0,1,0|3,0,0]=4 648 B11R2.106 c1cc2c(c(c1)Cl)CC=C2 TS09973 [0,0,0,0,1,0|1,0,1]=3 649 B11R2.106 c1cc2c(c(c1)O)CC=C2 TS36662 [0,0,0,0,1,0|1,0,1]=3 650 B11R2.106 c1cc2c(c(c1)O)nc[nH]2 TS36807 [0,0,0,0,1,0|3,0,0]=4 651 B11R2.106 c1cc2c(cc[nH]2)[n+](c1)[O-] TS89705 [0,0,0,0,1,0|3,0,0]=4 652 B11R2.106 c1cc2c(cc[nH]2)c(c1)Br TS09604 [0,0,0,0,1,0|2,0,0]=3 653 B11R2.106 c1cc2c(cc[nH]2)c(c1)Cl TS71069 [0,0,0,0,1,0|2,0,0]=3 654 B11R2.106 c1cc2c(cc[nH]2)c(c1)F TS03092 [0,0,0,0,1,0|2,0,0]=3 655 B11R2.106 c1cc2c(cc[nH]2)c(c1)O TS71173 [0,0,0,0,1,0|2,0,0]=3 656 B11R2.106 c1cc2c(ccnn2c1)N TS87574 [0,0,0,0,1,0|3,0,0]=4 657 B11R2.106 c1cc2c(cco2)c(c1)Br TS87398 [0,0,0,0,1,0|2,0,0]=3 658 B11R2.106 c1cc2c(ccs2)c(c1)Br TS88080 [0,0,0,0,1,0|2,0,0]=3 659 B11R2.106 c1cc2c(cn[nH]2)c(c1)Br TS09603 [0,0,0,0,1,0|3,0,0]=4 660 B11R2.106 c1cc2c(cn[nH]2)c(c1)Cl TS09633 [0,0,0,0,1,0|3,0,0]=4 661 B11R2.106 c1cc2c(cn[nH]2)c(c1)F TS36973 [0,0,0,0,1,0|3,0,0]=4 662 B11R2.106 c1cc2c(cn[nH]2)c(c1)I TS71179 [0,0,0,0,1,0|3,0,0]=4 663 B11R2.106 c1cc2c(cn[nH]2)c(c1)O TS88492 [0,0,0,0,1,0|3,0,0]=4 664 B11R2.106 c1cc2c(nccn2c1)Cl TS85684 [0,0,0,0,1,0|3,0,0]=4 665 B11R2.106 c1cc2cc[nH]c2[n+](c1)[O-] TS87731 [0,0,0,0,1,0|3,0,0]=4 666 B11R2.106 c1cc2cc[nH]c2c(c1)Br TS55655 [0,0,0,0,1,0|2,0,0]=3 667 B11R2.106 c1cc2cc[nH]c2c(c1)Br TS93651 [0,0,0,0,1,0|2,0,0]=3 668 B11R2.106 c1cc2cc[nH]c2c(c1)Cl TS16506 [0,0,0,0,1,0|2,0,0]=3 669 B11R2.106 c1cc2cc[nH]c2c(c1)F TS16518 [0,0,0,0,1,0|2,0,0]=3 670 B11R2.106 c1cc2cc[nH]c2c(c1)N TS05750 [0,0,0,0,1,0|2,0,0]=3 671 B11R2.106 c1cc2cc[nH]c2c(c1)O TS55678 [0,0,0,0,1,0|2,0,0]=3 672 B11R2.106 c1cc2ccnn2c(c1)Br TS55662 [0,0,0,0,1,0|3,0,0]=4 673 B11R2.106 c1cc2ccnn2c(c1)I TS61933 [0,0,0,0,1,0|3,0,0]=4 674 B11R2.106 c1cc2ccsc2c(c1)Cl TS12629 [0,0,0,0,1,0|2,0,0]=3 675 B11R2.106 c1cc2cn[nH]c2c(c1)Br TS16502 [0,0,0,0,1,0|3,0,0]=4 676 B11R2.106 c1cc2cn[nH]c2c(c1)Cl TS55668 [0,0,0,0,1,0|3,0,0]=4 677 B11R2.106 c1cc2cn[nH]c2c(c1)F TS16514 [0,0,0,0,1,0|3,0,0]=4 678 B11R2.106 c1cc2cn[nH]c2c(c1)I TS61940 [0,0,0,0,1,0|3,0,0]=4 679 B11R2.106 c1cc2cn[nH]c2c(c1)N TS01295 [0,0,0,0,1,0|3,0,0]=4 680 B11R2.106 c1cc2cn[nH]c2c(c1)O TS05880 [0,0,0,0,1,0|3,0,0]=4 681 B11R2.106 c1cc2cncn2c(c1)Br TS18394 [0,0,0,0,1,0|3,0,0]=4 682 B11R2.106 c1cc2cnoc2c(c1)O TS05967 [0,0,0,0,1,0|3,0,0]=4 683 B11R2.106 c1cc2nccn2c(c1)Cl TS60088 [0,0,0,0,1,0|3,0,0]=4 684 B11R2.106 c1cnc(c2c1cco2)Cl TS86686 [0,0,0,0,1,0|3,0,0]=4 685 B11R2.106 c1cnc(c2c1ccs2)Cl TS12733 [0,0,0,0,1,0|3,0,0]=4 686 B11R2.106 c1cnc(c2c1ccs2)N TS89285 [0,0,0,0,1,0|3,0,0]=4 687 B11R2.106 c1cnc(c2c1occ2)Cl TS71068 [0,0,0,0,1,0|3,0,0]=4 688 B11R2.106 c1cnc(c2c1scc2)Cl TS71082 [0,0,0,0,1,0|3,0,0]=4 689 B11R2.106 c1cnc(c2c1scc2)I TS68449 [0,0,0,0,1,0|3,0,0]=4 690 B11R2.106 c1cnc(c2c1scc2)O TS10063 [0,0,0,0,1,0|3,0,0]=4 691 B11R2.106 c1cnc2c(c1Cl)cco2 TS88728 [0,0,0,0,1,0|3,0,0]=4 692 B11R2.106 c1cnc2c(c1Cl)ccs2 TS12738 [0,0,0,0,1,0|3,0,0]=4 693 B11R2.106 c1cnc2ccoc2c1Cl TS88672 [0,0,0,0,1,0|3,0,0]=4 694 B11R2.106 c1cnc2ccsc2c1Cl TS16511 [0,0,0,0,1,0|3,0,0]=4 695 B11R2.106 c1cnc2ccsc2c1O TS01723 [0,0,0,0,1,0|3,0,0]=4 696 B11R2.106 c1cnc2ccsc2c1O TS91079 [0,0,0,0,1,0|3,0,0]=4 697 B10R1.2 Cc1cccc(c1C)C=O TS59680 [1,0,1,0,0,0|1,0,1]=4 698 B10R1.2 Cc1cccc(c1F)C=O TS37170 [1,0,1,0,0,0|2,0,0]=4 699 B10R1.2 Cc1cccc(c1O)C=O TS36989 [1,0,1,0,0,0|2,0,0]=4 700 B10R1.4 C=CCc1ccccc1Cl TS41221 [1,0,1,0,0,0|1,0,1]=4 701 B10R1.4 C=CCc1ccccc1O TS36846 [1,0,1,0,0,0|1,0,1]=4 702 B10R1.4 CC=Cc1ccccc1O TS36834 [1,0,1,0,0,0|1,0,1]=4 703 B10R1.4 Cc1ccccc1CC=C TS05766 [1,0,1,0,0,0|0,0,1]=3 704 B10R1.4 Cc1ccccc1NC=O TS36923 [1,0,1,0,0,0|2,0,0]=4 705 B10R1.10 C=CCc1cccc(c1)F TS36995 [1,0,1,0,0,0|1,0,1]=4 706 B10R1.10 Cc1cccc(c1)NC=O TS36924 [1,0,1,0,0,0|2,0,0]=4 707 B10R1.15 C=CC(c1ccccc1)Cl TS41223 [1,0,1,0,0,0|1,0,1]=4 708 B10R1.15 C=CC(c1ccccc1)O TS36829 [1,0,1,0,0,0|1,0,1]=4 709 B10R1.15 C=CS(=O)c1ccccc1 TS41168 [1,0,1,0,0,0|2,0,0]=4 710 B10R1.15 C=C[C@@H](c1ccccc1)O TS36848 [1,0,1,0,0,0|1,0,1]=4 711 B10R1.15 C=C[C@H](c1ccccc1)O TS36828 [1,0,1,0,0,0|1,0,1]=4 712 B10R1.15 CC(=NN)c1ccccc1 TS05912 [1,0,1,0,0,0|2,0,0]=4 713 B10R1.15 CC(=NO)c1ccccc1 TS36930 [1,0,1,0,0,0|2,0,0]=4 714 B10R1.15 CC=C(C)c1ccccc1 TS36697 [1,0,1,0,0,0|0,0,1]=3 715 B10R1.15 CN(C=O)c1ccccc1 TS36925 [1,0,1,0,0,0|2,0,0]=4 716 B10R1.15 c1ccc(cc1)C(=CBr)Br TS29726 [1,0,1,0,0,0|2,0,0]=4 717 B10R1.15 c1ccc(cc1)C(=O)C=O TS36799 [1,0,1,0,0,0|2,0,0]=4 718 B10R1.17 C=CC=Cc1ccccc1 TS36510 [1,0,1,0,0,0|0,0,0]=2 719 B10R1.17 C=CCCc1ccccc1 TS36707 [1,0,1,0,0,0|0,0,2]=4 720 B10R1.17 C=CCNc1ccccc1 TS05848 [1,0,1,0,0,0|1,0,1]=4 721 B10R1.17 C=CCOc1ccccc1 TS36847 [1,0,1,0,0,0|1,0,1]=4 722 B10R1.17 C=CCSc1ccccc1 TS40921 [1,0,1,0,0,0|1,0,1]=4 723 B10R1.17 CC=CCc1ccccc1 TS36709 [1,0,1,0,0,0|0,0,1]=3 724 B10R1.17 CCC=Cc1ccccc1 TS36700 [1,0,1,0,0,0|0,0,1]=3 725 B10R1.17 CCN=Cc1ccccc1 TS05847 [1,0,1,0,0,0|1,0,1]=4 726 B10R1.17 COC=Cc1ccccc1 TS36842 [1,0,1,0,0,0|1,0,0]=3 727 B10R1.17 COC=Nc1ccccc1 TS36922 [1,0,1,0,0,0|2,0,0]=4 728 B10R1.17 c1cc(cnc1)C=CC=O TS36746 [1,0,1,0,0,0|2,0,0]=4 729 B10R1.17 c1ccc(cc1)C=CC#N TS05462 [1,0,1,0,0,0|1,0,1]=4 730 B10R1.17 c1ccc(cc1)C=CC=O TS39725 [1,0,1,0,0,0|1,0,0]=3 731 B10R1.17 c1ccc(cc1)C=CCBr TS53806 [1,0,1,0,0,0|1,0,1]=4 732 B10R1.17 c1ccc(cc1)C=CCCl TS41222 [1,0,1,0,0,0|1,0,1]=4 733 B10R1.17 c1ccc(cc1)C=CCO TS36831 [1,0,1,0,0,0|1,0,1]=4 734 B10R1.20 C=Cc1ccccc1C=C TS36515 [1,0,1,0,0,0|0,0,0]=2 735 B10R1.20 CCc1ccccc1C=O TS36837 [1,0,1,0,0,0|1,0,1]=4 736 B10R1.20 COc1ccccc1C=C TS36839 [1,0,1,0,0,0|1,0,0]=3 737 B10R1.20 COc1ccccc1C=O TS00088 [1,0,1,0,0,0|2,0,0]=4 738 B10R1.20 c1ccc(c(c1)C=O)C=O TS55742 [1,0,1,0,0,0|2,0,0]=4 739 B10R1.61 CC(=C)c1ccccc1N TS36780 [1,0,1,0,0,0|1,0,0]=3 740 B10R1.61 CC(=O)c1ccccc1Br TS54149 [1,0,1,0,0,0|2,0,0]=4 741 B10R1.61 CC(=O)c1ccccc1Cl TS39571 [1,0,1,0,0,0|2,0,0]=4 742 B10R1.61 CC(=O)c1ccccc1F TS37171 [1,0,1,0,0,0|2,0,0]=4 743 B10R1.61 CC(=O)c1ccccc1I TS62238 [1,0,1,0,0,0|2,0,0]=4 744 B10R1.61 CC(=O)c1ccccc1O TS01063 [1,0,1,0,0,0|2,0,0]=4 745 B10R1.61 Cc1ccccc1C(=C)C TS05768 [1,0,1,0,0,0|0,0,1]=3 746 B10R1.61 Cc1ccccc1C(=O)C TS36852 [1,0,1,0,0,0|1,0,1]=4 747 B10R1.245 C=Cc1c(cccc1Cl)Cl TS13296 [1,0,1,0,0,0|2,0,0]=4 748 B10R1.245 Cc1cccc(c1C=C)C TS36710 [1,0,1,0,0,0|0,0,1]=3 749 B10R1.245 Cc1cccc(c1C=O)C TS47323 [1,0,1,0,0,0|1,0,1]=4 750 B10R1.245 Cc1cccc(c1C=O)Cl TS02145 [1,0,1,0,0,0|2,0,0]=4 751 B12R1.280 COc1cccc(c1O)CC=C TS11852 [0,1,1,0,0,0|1,0,1]=4 752 B12R1.16 c1cc(ccc1C(=CC=O)Cl)Cl TS19149 [0,1,1,0,0,0|2,0,0]=4 753 B12R1.30 C=CCNC(=O)c1ccccc1 TS42307 [0,1,1,0,0,0|1,0,1]=4 754 B12R1.30 CC=CCC(C)c1ccccc1 TS42205 [0,1,1,0,0,0|0,0,2]=4 755 B12R1.30 CN(C=CC=O)c1ccccc1 TS11403 [0,1,1,0,0,0|1,0,0]=3 756 B12R1.30 C[C@H](c1ccccc1)NCC=C TS42344 [0,1,1,0,0,0|0,0,2]=4 757 B12R1.39 CC(CC=C)(c1ccccc1)O TS11584 [0,1,1,0,0,0|0,0,2]=4 758 B12R1.107 CC(=CC(=O)O)c1ccccc1 TS42432 [0,1,1,0,0,0|1,0,0]=3 759 B12R1.308 C=COC(=O)c1ccccc1Cl TS48356 [0,1,1,0,0,0|2,0,0]=4 760 B12R1.121 C=CCOc1ccccc1CO TS11843 [0,1,1,0,0,0|1,0,1]=4 761 B12R1.121 COc1ccccc1C=CC=O TS42444 [0,1,1,0,0,0|1,0,0]=3 762 B12R1.121 COc1ccccc1C=CCO TS42754 [0,1,1,0,0,0|1,0,1]=4 763 B12R1.121 COc1ccccc1OCC=C TS11850 [0,1,1,0,0,0|1,0,1]=4 764 B12R1.125 CC(=O)C=Cc1ccccc1Cl TS48001 [0,1,1,0,0,0|1,0,1]=4 765 B12R1.125 Cc1ccccc1C=CC(=O)Cl TS14696 [0,1,1,0,0,0|1,0,0]=3 766 B12R1.125 Cc1ccccc1C=CC(=O)O TS42443 [0,1,1,0,0,0|1,0,0]=3 767 B12R1.125 c1ccc(c(c1)C=CC(=O)Cl)Cl TS38031 [0,1,1,0,0,0|2,0,0]=4 768 B12R1.125 c1ccc(c(c1)C=CC(=O)O)Cl TS48349 [0,1,1,0,0,0|2,0,0]=4 769 B12R1.125 c1ccc(c(c1)C=CC(=O)O)F TS01025 [0,1,1,0,0,0|2,0,0]=4 770 B12R1.125 c1ccc(c(c1)C=CC(=O)O)O TS42702 [0,1,1,0,0,0|2,0,0]=4 771 B12R1.1631 c1cc(c(c(c1)F)C=CC=O)F TS12475 [0,1,1,0,0,0|2,0,0]=4 772 B12R1.226 Cc1cccc(c1)C=CC(=O)Cl TS14697 [0,1,1,0,0,0|1,0,0]=3 773 B12R1.226 Cc1cccc(c1)C=CC(=O)O TS11541 [0,1,1,0,0,0|1,0,0]=3 774 B12R1.226 c1cc(cc(c1)Br)C=CC(=O)O TS24314 [0,1,1,0,0,0|2,0,0]=4 775 B12R1.226 c1cc(cc(c1)Cl)C=CC(=O)O TS15066 [0,1,1,0,0,0|2,0,0]=4 776 B12R1.226 c1cc(cc(c1)F)C=CC(=O)O TS65085 [0,1,1,0,0,0|2,0,0]=4 777 B12R1.226 c1cc(cc(c1)O)C=CC(=O)O TS42701 [0,1,1,0,0,0|2,0,0]=4 778 B12R1.382 C=CCOc1cccc(c1)CO TS42760 [0,1,1,0,0,0|1,0,1]=4 779 B12R1.8 CC=CCCCc1ccccc1 TS42215 [0,1,1,0,0,0|0,0,2]=4 780 B12R1.8 c1ccc(cc1)C=CCOC=O TS11544 [0,1,1,0,0,0|1,0,1]=4 781 B12R1.27 CC(=NO)C=Cc1ccccc1 TS42315 [0,1,1,0,0,0|2,0,0]=4 782 B12R1.27 COC(=O)C=Cc1ccccc1 TS42433 [0,1,1,0,0,0|1,0,0]=3 783 B12R1.27 COC(=O)C=Cc1ccncc1 TS11686 [0,1,1,0,0,0|2,0,0]=4 784 B12R1.252 CC(=O)C=NNc1ccccc1 TS11572 [0,1,1,0,0,0|2,0,0]=4 785 B12R1.252 c1ccc(cc1)C=CCC(=O)O TS11546 [0,1,1,0,0,0|1,0,1]=4 786 B12R1.77 COc1ccccc1C(=O)C=O TS14923 [0,1,1,0,0,0|2,0,0]=4 787 B12R1.1112 C=CCc1c(cccc1O)C=O TS42440 [0,1,1,0,0,0|1,0,1]=4 788 B12R1.261 CC(=O)c1ccccc1C(=O)C TS42455 [0,1,1,0,0,0|1,0,1]=4 789 B12R1.261 CC(=O)c1ccccc1C(=O)O TS09261 [0,1,1,0,0,0|2,0,0]=4 790 B12R2.24 Cc1cc2ccccc2cn1 TS02850 [1,1,0,0,0,0|1,0,0]=3 791 B12R2.24 Cc1cc2ccccc2nc1 TS06876 [1,1,0,0,0,0|1,0,0]=3 792 B12R2.24 Cc1ccc2c(c1)cccn2 TS01274 [1,1,0,0,0,0|1,0,0]=3 793 B12R2.24 Cc1ccc2c(c1)cncn2 TS40185 [1,1,0,0,0,0|2,0,0]=4 794 B12R2.24 Cc1ccc2c(c1)nccn2 TS40189 [1,1,0,0,0,0|2,0,0]=4 795 B12R2.24 Cc1ccc2c(n1)cccn2 TS39280 [1,1,0,0,0,0|2,0,0]=4 796 B12R2.24 Cc1ccc2ccccc2c1 TS06723 [1,1,0,0,0,0|0,0,0]=2 797 B12R2.24 Cc1ccc2ccccc2n1 TS00107 [1,1,0,0,0,0|1,0,0]=3 798 B12R2.24 Cc1ccc2ccccc2n1 TS26649 [1,1,0,0,0,0|1,0,0]=3 799 B12R2.24 Cc1ccc2ccccc2n1 TS26685 [1,1,0,0,0,0|1,0,0]=3 800 B12R2.24 Cc1ccc2cccnc2c1 TS55694 [1,1,0,0,0,0|1,0,0]=3 801 B12R2.24 Cc1ccc2cccnc2n1 TS06960 [1,1,0,0,0,0|2,0,0]=4 802 B12R2.24 Cc1ccc2cnccc2c1 TS39791 [1,1,0,0,0,0|1,0,0]=3 803 B12R2.24 Cc1ccc2cnncc2c1 TS40192 [1,1,0,0,0,0|2,0,0]=4 804 B12R2.24 Cc1cnc2ccccc2n1 TS40190 [1,1,0,0,0,0|2,0,0]=4 805 B12R2.24 c1cc(=O)[nH]c2c1cncc2 TS01996 [1,1,0,0,0,0|2,0,0]=4 806 B12R2.24 c1cc(cc2c1ccnc2)Br TS55661 [1,1,0,0,0,0|1,0,0]=3 807 B12R2.24 c1cc(cc2c1ccnc2)N TS01297 [1,1,0,0,0,0|1,0,0]=3 808 B12R2.24 c1cc(cc2c1ccnc2)O TS55679 [1,1,0,0,0,0|1,0,0]=3 809 B12R2.24 c1cc(nc2c1ccnc2)Br TS43588 [1,1,0,0,0,0|2,0,0]=4 810 B12R2.24 c1cc(nc2c1ccnc2)Cl TS42831 [1,1,0,0,0,0|2,0,0]=4 811 B12R2.24 c1cc-2ccc(=O)nc2[nH]c1 TS07188 [1,1,0,0,0,0|2,0,0]=4 812 B12R2.24 c1cc2c(cc1Br)C=CCC2 TS20693 [1,1,0,0,0,0|0,0,2]=4 813 B12R2.24 c1cc2c(cc1Br)cncn2 TS16480 [1,1,0,0,0,0|2,0,0]=4 814 B12R2.24 c1cc2c(cc1Br)nccn2 TS16483 [1,1,0,0,0,0|2,0,0]=4 815 B12R2.24 c1cc2c(cc1Cl)C=CCC2 TS11962 [1,1,0,0,0,0|0,0,2]=4 816 B12R2.24 c1cc2c(cc1Cl)nccn2 TS11947 [1,1,0,0,0,0|2,0,0]=4 817 B12R2.24 c1cc2c(cc1F)C=CCC2 TS07450 [1,1,0,0,0,0|0,0,2]=4 818 B12R2.24 c1cc2c(cc1N)nccn2 TS07099 [1,1,0,0,0,0|2,0,0]=4 819 B12R2.24 c1cc2c(ccc(n2)Cl)nc1 TS87520 [1,1,0,0,0,0|2,0,0]=4 820 B12R2.24 c1cc2c(ccc(n2)N)nc1 TS60189 [1,1,0,0,0,0|2,0,0]=4 821 B12R2.24 c1cc2cc(ccc2nc1)Br TS16482 [1,1,0,0,0,0|1,0,0]=3 822 B12R2.24 c1cc2cc(ccc2nc1)Cl TS55590 [1,1,0,0,0,0|1,0,0]=3 823 B12R2.24 c1cc2cc(ccc2nc1)I TS01245 [1,1,0,0,0,0|1,0,0]=3 824 B12R2.24 c1cc2cc(ccc2nc1)N TS01214 [1,1,0,0,0,0|1,0,0]=3 825 B12R2.24 c1cc2cc(ccc2nc1)N TS48009 [1,1,0,0,0,0|1,0,0]=3 826 B12R2.24 c1cc2cc(cnc2nc1)N TS07095 [1,1,0,0,0,0|2,0,0]=4 827 B12R2.24 c1cc2ccc(cc2nc1)Br TS55665 [1,1,0,0,0,0|1,0,0]=3 828 B12R2.24 c1cc2ccc(cc2nc1)Cl TS39796 [1,1,0,0,0,0|1,0,0]=3 829 B12R2.24 c1cc2ccc(cc2nc1)N TS01298 [1,1,0,0,0,0|1,0,0]=3 830 B12R2.24 c1cc2ccc(cc2nc1)O TS55681 [1,1,0,0,0,0|1,0,0]=3 831 B12R2.24 c1cc2ccc(nc2nc1)N TS40303 [1,1,0,0,0,0|2,0,0]=4 832 B12R2.24 c1cc2cnccc2cc1Br TS16471 [1,1,0,0,0,0|1,0,0]=3 833 B12R2.24 c1cc2cnccc2cc1N TS01206 [1,1,0,0,0,0|1,0,0]=3 834 B12R2.24 c1cc2cnccc2cc1O TS55609 [1,1,0,0,0,0|1,0,0]=3 835 B12R2.24 c1cc2cncnc2cc1Br TS55664 [1,1,0,0,0,0|2,0,0]=4 836 B12R2.24 c1cc2cnncc2cc1Br TS87020 [1,1,0,0,0,0|2,0,0]=4 837 B12R2.24 c1ccc2c(c1)CC=C(N2)Cl TS12107 [1,1,0,0,0,0|1,0,1]=4 838 B12R2.24 c1ccc2c(c1)OC=C(O2)Br TS44287 [1,1,0,0,0,0|2,0,0]=4 839 B12R2.24 c1ccc2c(c1)cc(cn2)Br TS09500 [1,1,0,0,0,0|1,0,0]=3 840 B12R2.24 c1ccc2c(c1)cc(cn2)N TS02673 [1,1,0,0,0,0|1,0,0]=3 841 B12R2.24 c1ccc2c(c1)cc(cn2)O TS02804 [1,1,0,0,0,0|1,0,0]=3 842 B12R2.24 c1ccc2c(c1)ccc(=O)o2 TS07170 [1,1,0,0,0,0|1,0,0]=3 843 B12R2.24 c1ccc2c(c1)ccc(n2)Br TS00867 [1,1,0,0,0,0|1,0,0]=3 844 B12R2.24 c1ccc2c(c1)ccc(n2)Cl TS00965 [1,1,0,0,0,0|1,0,0]=3 845 B12R2.24 c1ccc2c(c1)ccc(n2)I TS28720 [1,1,0,0,0,0|1,0,0]=3 846 B12R2.24 c1ccc2c(c1)ccc(n2)N TS55047 [1,1,0,0,0,0|1,0,0]=3 847 B12R2.24 c1ccc2c(c1)ccc(n2)O TS07083 [1,1,0,0,0,0|1,0,0]=3 848 B12R2.24 c1ccc2c(c1)ccc(n2)O TS94826 [1,1,0,0,0,0|1,0,0]=3 849 B12R2.24 c1ccc2c(c1)ccc(n2)S TS11438 [1,1,0,0,0,0|1,0,0]=3 850 B12R2.24 c1ccc2c(c1)cnc(n2)Cl TS00964 [1,1,0,0,0,0|2,0,0]=4 851 B12R2.24 c1ccc2c(c1)cnc(n2)N TS00825 [1,1,0,0,0,0|2,0,0]=4 852 B12R2.24 c1ccc2c(c1)ncc(n2)Br TS55171 [1,1,0,0,0,0|2,0,0]=4 853 B12R2.24 c1ccc2c(c1)ncc(n2)Cl TS39269 [1,1,0,0,0,0|2,0,0]=4 854 B12R2.24 c1ccc2c(c1)ncc(n2)N TS40308 [1,1,0,0,0,0|2,0,0]=4 855 B12R2.24 c1ccc2c(c1)ncc(n2)O TS07193 [1,1,0,0,0,0|2,0,0]=4 856 B12R2.24 c1ccc2c(c1)ncc(n2)S TS42478 [1,1,0,0,0,0|2,0,0]=4 857 B12R2.24 c1ccc2cc(ccc2c1)Br TS00852 [1,1,0,0,0,0|0,0,0]=2 858 B12R2.24 c1ccc2cc(ccc2c1)Cl TS11632 [1,1,0,0,0,0|0,0,0]=2 859 B12R2.24 c1ccc2cc(ccc2c1)F TS40407 [1,1,0,0,0,0|0,0,0]=2 860 B12R2.24 c1ccc2cc(ccc2c1)I TS63321 [1,1,0,0,0,0|0,0,0]=2 861 B12R2.24 c1ccc2cc(ccc2c1)N TS00813 [1,1,0,0,0,0|0,0,0]=2 862 B12R2.24 c1ccc2cc(ccc2c1)O TS39906 [1,1,0,0,0,0|0,0,0]=2 863 B12R2.24 c1ccc2cc(ccc2c1)S TS11296 [1,1,0,0,0,0|0,0,0]=2 864 B12R2.24 c1ccc2cn(=O)ccc2c1 TS56198 [1,1,0,0,0,0|1,0,0]=3 865 B12R2.24 c1ccc2cnc(cc2c1)Br TS65951 [1,1,0,0,0,0|1,0,0]=3 866 B12R2.24 c1ccc2cnc(cc2c1)Cl TS02718 [1,1,0,0,0,0|1,0,0]=3 867 B12R2.24 c1ccc2cnc(cc2c1)Cl TS40291 [1,1,0,0,0,0|1,0,0]=3 868 B12R2.24 c1ccc2cnc(cc2c1)N TS40187 [1,1,0,0,0,0|1,0,0]=3 869 B12R2.24 c1ccc2cnc(cc2c1)O TS70624 [1,1,0,0,0,0|1,0,0]=3 870 B12R2.1 C#Cc1c[nH]c2c1cccc2 TS37492 [0,1,0,0,1,0|1,0,1]=4 871 B12R2.1 CCc1c[nH]c2c1cccc2 TS40329 [0,1,0,0,1,0|1,0,0]=3 872 B12R2.1 CCn1ccc2c1cccc2 TS00434 [0,1,0,0,1,0|1,0,0]=3 873 B12R2.1 CCn1cnc2c1cccc2 TS40438 [0,1,0,0,1,0|2,0,0]=4 874 B12R2.1 COc1c2ccccc2[nH]n1 TS91723 [0,1,0,0,1,0|2,0,0]=4 875 B12R2.1 COn1cnc2c1cccc2 TS40617 [0,1,0,0,1,0|2,0,0]=4 876 B12R2.1 c1cc2c(c[nH]c2nc1)CN TS40541 [0,1,0,0,1,0|2,0,0]=4 877 B12R2.1 c1cc2c(c[nH]c2nc1)CN TS92294 [0,1,0,0,1,0|2,0,0]=4 878 B12R2.1 c1cc2c(c[nH]c2nc1)CO TS88605 [0,1,0,0,1,0|2,0,0]=4 879 B12R2.1 c1ccc2c(c1)c(c[nH]2)C#N TS01791 [0,1,0,0,1,0|1,0,1]=4 880 B12R2.1 c1ccc2c(c1)c(c[nH]2)C=O TS01491 [0,1,0,0,1,0|1,0,1]=4 881 B12R2.1 c1ccc2c(c1)c(c[nH]2)CN TS46493 [0,1,0,0,1,0|1,0,0]=3 882 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO TS09190 [0,1,0,0,1,0|1,0,0]=3 883 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO TS42902 [0,1,0,0,1,0|1,0,0]=3 884 B12R2.1 c1ccc2c(c1)c(cs2)C=O TS55754 [0,1,0,0,1,0|1,0,1]=4 885 B12R2.1 c1ccc2c(c1)c(cs2)CN TS11736 [0,1,0,0,1,0|1,0,0]=3 886 B12R2.1 c1ccc2c(c1)c(cs2)CN TS37824 [0,1,0,0,1,0|1,0,0]=3 887 B12R2.1 c1ccc2c(c1)c(cs2)CO TS11910 [0,1,0,0,1,0|1,0,0]=3 888 B12R2.1 c1ccc2c(c1)c(n[nH]2)CN TS15193 [0,1,0,0,1,0|2,0,0]=4 889 B12R2.1 c1ccc2c(c1)c(n[nH]2)CN TS88235 [0,1,0,0,1,0|2,0,0]=4 890 B12R2.1 c1ccc2c(c1)c(n[nH]2)CO TS40622 [0,1,0,0,1,0|2,0,0]=4 891 B12R2.1 c1ccc2c(c1)c(no2)CBr TS21235 [0,1,0,0,1,0|2,0,0]=4 892 B12R2.1 c1ccc2c(c1)ncn2CO TS07440 [0,1,0,0,1,0|2,0,0]=4 893 B12R2.1 c1ccn2c(c1)c(cn2)CN TS07354 [0,1,0,0,1,0|2,0,0]=4 894 B12R2.1 c1ccn2c(c1)ncc2CN TS00297 [0,1,0,0,1,0|2,0,0]=4 895 B12R2.1 c1ccn2c(c1)ncc2CN TS40542 [0,1,0,0,1,0|2,0,0]=4 896 B12R2.1 c1ccn2cnc(c2c1)CN TS07353 [0,1,0,0,1,0|2,0,0]=4 897 B12R2.1 c1cncc2c1[nH]cc2CN TS40546 [0,1,0,0,1,0|2,0,0]=4 898 B12R2.1 c1cncc2c1c(c[nH]2)CN TS40555 [0,1,0,0,1,0|2,0,0]=4 899 B12R2.18 CC1c2ccccc2NC1=O TS85089 [0,1,0,0,1,0|1,0,1]=4 900 B12R2.18 CN1c2ccccc2CC1=O TS40524 [0,1,0,0,1,0|1,0,1]=4 901 B12R2.18 Cc1c([nH]c2c1cccc2)C TS32886 [0,1,0,0,1,0|1,0,0]=3 902 B12R2.18 Cc1c(c2ccccc2s1)Br TS60005 [0,1,0,0,1,0|2,0,0]=4 903 B12R2.18 Cc1c(oc2c1cccc2)C TS07222 [0,1,0,0,1,0|1,0,0]=3 904 B12R2.18 Cc1c(sc2c1cccc2)C TS11616 [0,1,0,0,1,0|1,0,0]=3 905 B12R2.18 Cc1cc2ccccc2n1C TS00349 [0,1,0,0,1,0|1,0,0]=3 906 B12R2.18 Cn1c2ccccc2cc1O TS07340 [0,1,0,0,1,0|1,0,0]=3 907 B12R2.18 Cn1c2ccccc2nc1Cl TS12322 [0,1,0,0,1,0|2,0,0]=4 908 B12R2.18 Cn1c2ccccc2nc1N TS40545 [0,1,0,0,1,0|2,0,0]=4 909 B12R2.18 Cn1c2ccccc2oc1=O TS40731 [0,1,0,0,1,0|2,0,0]=4 910 B12R2.18 Cn1c2ccccc2oc1=S TS42927 [0,1,0,0,1,0|2,0,0]=4 911 B12R2.18 Cn1c2ccccc2sc1=O TS42917 [0,1,0,0,1,0|2,0,0]=4 912 B12R2.18 Cn1c2ccccc2sc1=S TS48129 [0,1,0,0,1,0|2,0,0]=4 913 B12R2.18 c1ccc2c(c1)C(=N)C(=O)N2 TS40395 [0,1,0,0,1,0|2,0,0]=4 914 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 TS47172 [0,1,0,0,1,0|2,0,0]=4 915 B12R2.18 c1ccc2c(c1)CC(=O)C2=O TS07174 [0,1,0,0,1,0|1,0,1]=4 916 B12R2.132 Cc1c2cc(ccc2[nH]n1)Br TS16992 [0,1,0,0,1,0|2,0,0]=4 917 B12R2.132 Cc1c2cc(ccc2[nH]n1)Br TS85407 [0,1,0,0,1,0|2,0,0]=4 918 B12R2.132 Cc1c2cc(ccc2[nH]n1)N TS40549 [0,1,0,0,1,0|2,0,0]=4 919 B12R2.132 Cc1c2cc(ccc2[nH]n1)O TS07432 [0,1,0,0,1,0|2,0,0]=4 920 B12R2.132 Cc1c2cc(ccc2sn1)N TS11920 [0,1,0,0,1,0|2,0,0]=4 921 B12R2.132 Cc1c[nH]c2c1cc(cc2)Cl TS12106 [0,1,0,0,1,0|1,0,0]=3 922 B12R2.132 Cc1c[nH]c2c1cc(cc2)F TS03313 [0,1,0,0,1,0|1,0,0]=3 923 B12R2.132 Cc1c[nH]c2c1cc(cn2)Br TS88331 [0,1,0,0,1,0|2,0,0]=4 924 B12R2.132 Cc1c[nH]c2c1cc(cn2)Cl TS85927 [0,1,0,0,1,0|2,0,0]=4 925 B12R2.132 Cc1c[nH]c2c1cc(cn2)N TS91389 [0,1,0,0,1,0|2,0,0]=4 926 B12R2.132 Cc1ccc2c(c1)c(cs2)C TS11617 [0,1,0,0,1,0|1,0,0]=3 927 B12R2.132 Cc1ccc2c(c1)c(no2)C TS07348 [0,1,0,0,1,0|2,0,0]=4 928 B12R2.132 Cc1csc2c1cc(cc2)Cl TS15076 [0,1,0,0,1,0|1,0,0]=3 929 B12R2.132 Cc1csc2c1cc(cc2)F TS08753 [0,1,0,0,1,0|1,0,0]=3 930 B12R2.132 Cn1c2cc(ccc2cn1)Br TS88568 [0,1,0,0,1,0|2,0,0]=4 931 B12R2.132 Cn1c2cc(ccc2cn1)N TS00472 [0,1,0,0,1,0|2,0,0]=4 932 B12R2.132 c1cc2c(cc1Br)c(c[nH]2)Br TS33658 [0,1,0,0,1,0|2,0,0]=4 933 B12R2.132 c1cc2c(cc1Br)c(c[nH]2)N TS02063 [0,1,0,0,1,0|2,0,0]=4 934 B12R2.132 c1cc2c(cc1Br)c(co2)Br TS33752 [0,1,0,0,1,0|2,0,0]=4 935 B12R2.132 c1cc2c(cc1Cl)c(c[nH]2)Br TS24973 [0,1,0,0,1,0|2,0,0]=4 936 B12R2.196 Cc1c2cccc(c2[nH]n1)Br TS90467 [0,1,0,0,1,0|2,0,0]=4 937 B12R2.196 Cc1c2cccc(c2[nH]n1)O TS40613 [0,1,0,0,1,0|2,0,0]=4 938 B12R2.196 Cc1cccc2c1[nH]cc2Br TS20830 [0,1,0,0,1,0|2,0,0]=4 939 B12R2.196 Cc1csc2c1cccc2Cl TS85145 [0,1,0,0,1,0|1,0,0]=3 940 B12R2.196 Cc1csc2c1nccc2Cl TS90148 [0,1,0,0,1,0|2,0,0]=4 941 B12R2.196 Cn1c2cccc(c2cn1)Br TS88914 [0,1,0,0,1,0|2,0,0]=4 942 B12R2.196 Cn1c2cccc(c2cn1)I TS91687 [0,1,0,0,1,0|2,0,0]=4 943 B12R2.196 Cn1c2cccc(c2cn1)N TS88564 [0,1,0,0,1,0|2,0,0]=4 944 B12R2.196 Cn1ccc2c1cccc2N TS40435 [0,1,0,0,1,0|1,0,0]=3 945 B12R2.196 Cn1ccc2c1ccnc2Cl TS71015 [0,1,0,0,1,0|2,0,0]=4 946 B12R2.196 Cn1ccc2c1ccnc2N TS40551 [0,1,0,0,1,0|2,0,0]=4 947 B12R2.196 Cn1ccc2c1nccc2Br TS86782 [0,1,0,0,1,0|2,0,0]=4 948 B12R2.196 Cn1ccc2c1nccc2Cl TS88148 [0,1,0,0,1,0|2,0,0]=4 949 B12R2.196 c1cc2c(c[nH]c2c(c1)Cl)Br TS24974 [0,1,0,0,1,0|2,0,0]=4 950 B12R2.196 c1cc2c(c[nH]c2c(c1)N)Cl TS19516 [0,1,0,0,1,0|2,0,0]=4 951 B12R2.203 Cc1c2c(cccc2Br)[nH]n1 TS88903 [0,1,0,0,1,0|2,0,0]=4 952 B12R2.203 Cc1c[nH]c2c1c(ccn2)Br TS92546 [0,1,0,0,1,0|2,0,0]=4 953 B12R2.203 Cc1c[nH]c2c1c(ccn2)Cl TS89030 [0,1,0,0,1,0|2,0,0]=4 954 B12R2.203 Cc1c[nH]c2c1c(ccn2)N TS91918 [0,1,0,0,1,0|2,0,0]=4 955 B12R2.203 Cn1c2c(cccc2Br)cn1 TS91630 [0,1,0,0,1,0|2,0,0]=4 956 B12R2.203 Cn1c2c(cccc2N)cn1 TS86297 [0,1,0,0,1,0|2,0,0]=4 957 B12R2.612 Cc1c2ccc(cc2[nH]n1)Br TS87005 [0,1,0,0,1,0|2,0,0]=4 958 B12R2.612 Cc1c2ccc(cc2[nH]n1)I TS85999 [0,1,0,0,1,0|2,0,0]=4 959 B12R2.612 Cc1c2ccc(cc2[nH]n1)N TS88598 [0,1,0,0,1,0|2,0,0]=4 960 B12R2.612 Cc1c2ccc(cc2[nH]n1)O TS55602 [0,1,0,0,1,0|2,0,0]=4 961 B12R2.612 Cc1c2ccc(cc2on1)Br TS21239 [0,1,0,0,1,0|2,0,0]=4 962 B12R2.612 Cc1c2ccc(cc2on1)Cl TS43280 [0,1,0,0,1,0|2,0,0]=4 963 B12R2.612 Cc1c2ccc(cc2on1)F TS40981 [0,1,0,0,1,0|2,0,0]=4 964 B12R2.612 Cc1c[nH]c2c1ccc(n2)Cl TS87182 [0,1,0,0,1,0|2,0,0]=4 965 B12R2.612 Cc1c[nH]c2c1ncc(c2)Br TS92312 [0,1,0,0,1,0|2,0,0]=4 966 B12R2.612 Cc1ccc2c(noc2c1)C TS07343 [0,1,0,0,1,0|2,0,0]=4 967 B12R2.612 Cn1c2ccc(cc2cn1)Br TS88567 [0,1,0,0,1,0|2,0,0]=4 968 B12R2.612 Cn1c2ccc(cc2cn1)N TS00017 [0,1,0,0,1,0|2,0,0]=4 969 B12R2.612 Cn1c2ccc(cc2cn1)N TS00471 [0,1,0,0,1,0|2,0,0]=4 970 B12R2.612 Cn1ccc2c1ccc(c2)Br TS71397 [0,1,0,0,1,0|1,0,0]=3 971 B12R2.612 Cn1ccc2c1ccc(c2)N TS59908 [0,1,0,0,1,0|1,0,0]=3 972 B12R2.612 Cn1ccc2c1ncc(c2)Br TS89023 [0,1,0,0,1,0|2,0,0]=4 973 B12R2.612 Cn1ccc2c1ncc(c2)N TS87835 [0,1,0,0,1,0|2,0,0]=4 974 B12R2.612 Cn1ccc2c1ncc(c2)O TS40616 [0,1,0,0,1,0|2,0,0]=4 975 B12R2.612 c1cc2c(cc1Br)[nH]cc2Br TS33657 [0,1,0,0,1,0|2,0,0]=4 976 B12R2.2028 CC1CC(=O)c2c1cccc2 TS07233 [0,1,0,0,1,0|0,0,2]=4 977 B12R2.2028 Cn1c2ccccc2c(n1)Br TS87833 [0,1,0,0,1,0|2,0,0]=4 978 B12R2.2028 Cn1c2ccccc2c(n1)I TS90863 [0,1,0,0,1,0|2,0,0]=4 979 B12R2.2028 c1ccc2c(c1)C(=N)NC2=N TS07097 [0,1,0,0,1,0|2,0,0]=4 980 B12R2.2028 c1ccc2c(c1)C(=N)NC2=O TS07194 [0,1,0,0,1,0|2,0,0]=4 981 B12R2.2028 c1ccc2c(c1)C(=O)CC2=O TS07172 [0,1,0,0,1,0|1,0,1]=4 982 B12R2.2028 c1ccc2c(c1)C(=O)NC2=O TS44977 [0,1,0,0,1,0|2,0,0]=4 983 B12R2.2028 c1ccc2c(c1)C(=O)NC2=O TS74530 [0,1,0,0,1,0|2,0,0]=4 984 B12R2.2028 c1ccc2c(c1)C(=O)OC2=O TS74508 [0,1,0,0,1,0|2,0,0]=4 985 B12R2.2403 c1ccc2c(c1)C=CS2(=O)=O TS43093 [0,1,0,0,1,0|2,0,0]=4 986 B12R2.82 Cc1c(ccc2c1cn[nH]2)Br TS87074 [0,1,0,0,1,0|2,0,0]=4 987 B12R2.82 Cc1c2cc[nH]c2ccc1N TS40434 [0,1,0,0,1,0|1,0,0]=3 988 B12R2.82 Cc1c2cc[nH]c2ncc1Br TS21076 [0,1,0,0,1,0|2,0,0]=4 989 B12R2.82 c1cc(c(c2c1[nH]cc2)F)Cl TS45046 [0,1,0,0,1,0|2,0,0]=4 990 B12R2.82 c1cc(c(c2c1[nH]cc2)F)F TS39456 [0,1,0,0,1,0|2,0,0]=4 991 B12R2.82 c1cc(c(c2c1[nH]cc2)F)O TS40984 [0,1,0,0,1,0|2,0,0]=4 992 B12R2.82 c1cc(c(c2c1cc[nH]2)Cl)Cl TS85799 [0,1,0,0,1,0|2,0,0]=4 993 B12R2.82 c1cc(c(c2c1cco2)O)O TS07647 [0,1,0,0,1,0|2,0,0]=4 994 B12R2.202 Cc1cc2c([nH]1)cccc2O TS39281 [0,1,0,0,1,0|2,0,0]=4 995 B12R2.202 Cc1cccc2c1nc(s2)Br TS52596 [0,1,0,0,1,0|2,0,0]=4 996 B12R2.202 Cc1cccc2c1nc(s2)C TS42615 [0,1,0,0,1,0|2,0,0]=4 997 B12R2.202 Cc1cccc2c1nc(s2)Cl TS15198 [0,1,0,0,1,0|2,0,0]=4 998 B12R2.202 Cc1cccc2c1nc(s2)N TS11915 [0,1,0,0,1,0|2,0,0]=4 999 B12R2.202 Cc1cccc2c1nc(s2)O TS42916 [0,1,0,0,1,0|2,0,0]=4 1000 B12R2.202 c1cc2c(cc(s2)N)c(c1)Br TS92009 [0,1,0,0,1,0|2,0,0]=4 1001 B12R2.202 c1cc2cc(sc2c(c1)Br)N TS85914 [0,1,0,0,1,0|2,0,0]=4 1002 B12R2.221 Cc1ccc(c2c1CC=C2)C TS07007 [0,1,0,0,1,0|0,0,1]=3 1003 B12R2.221 Cc1ccc(c2c1cco2)Br TS21067 [0,1,0,0,1,0|1,0,0]=3 1004 B12R2.221 c1cc(c2c(c1Br)cc[nH]2)Br TS33659 [0,1,0,0,1,0|2,0,0]=4 1005 B12R2.221 c1cc(c2c(c1Cl)ccs2)Cl TS19519 [0,1,0,0,1,0|2,0,0]=4 1006 B12R2.221 c1cc(c2c(c1F)cc[nH]2)Br TS21600 [0,1,0,0,1,0|2,0,0]=4 1007 B12R2.221 c1cc(c2c(c1F)cc[nH]2)F TS41237 [0,1,0,0,1,0|2,0,0]=4 1008 B12R2.246 Cc1cc(c2c(c1)CC=C2)C TS06995 [0,1,0,0,1,0|0,0,1]=3 1009 B12R2.246 Cc1cc(c2cc[nH]c2c1)C TS07120 [0,1,0,0,1,0|1,0,0]=3 1010 B12R2.246 Cc1cc(c2cn[nH]c2c1)C TS40431 [0,1,0,0,1,0|2,0,0]=4 1011 B12R2.246 Cc1cc(cc2c1[nH]nc2)Br TS71452 [0,1,0,0,1,0|2,0,0]=4 1012 B12R2.246 Cc1cc(cc2c1[nH]nc2)N TS86082 [0,1,0,0,1,0|2,0,0]=4 1013 B12R2.246 Cc1cc(cc2c1cc[nH]2)N TS40449 [0,1,0,0,1,0|1,0,0]=3 1014 B12R2.246 Cc1cc(cc2c1cn[nH]2)F TS09851 [0,1,0,0,1,0|2,0,0]=4 1015 B12R2.246 Cc1cc(cc2c1nc[nH]2)Br TS21072 [0,1,0,0,1,0|2,0,0]=4 1016 B12R2.246 Cc1cc(nc2c1[nH]cc2)Cl TS89667 [0,1,0,0,1,0|2,0,0]=4 1017 B12R2.246 Cc1cc2c(cc[nH]2)c(c1)O TS07345 [0,1,0,0,1,0|2,0,0]=4 1018 B12R2.246 c1c(cc(c2c1C=CC2)F)F TS41101 [0,1,0,0,1,0|1,0,1]=4 1019 B12R2.246 c1c[nH]c2c1c(cc(c2)Cl)Cl TS48826 [0,1,0,0,1,0|2,0,0]=4 1020 B12R2.246 c1c[nH]c2c1c(cc(c2)Cl)N TS12323 [0,1,0,0,1,0|2,0,0]=4 1021 B12R2.246 c1c[nH]c2c1c(cc(c2)F)F TS59705 [0,1,0,0,1,0|2,0,0]=4 1022 B12R2.246 c1c[nH]c2c1cc(cc2Cl)Cl TS48824 [0,1,0,0,1,0|2,0,0]=4 1023 B12R2.246 c1c[nH]c2c1cc(cc2F)Br TS85572 [0,1,0,0,1,0|2,0,0]=4 1024 B12R2.246 c1c[nH]c2c1cc(cc2F)F TS39519 [0,1,0,0,1,0|2,0,0]=4 1025 B12R2.246 c1c[nH]c2c1cc(cc2F)N TS87834 [0,1,0,0,1,0|2,0,0]=4 1026 B12R2.246 c1coc2c1cc(cc2O)F TS41091 [0,1,0,0,1,0|2,0,0]=4 1027 B12R2.315 CCc1cccc2c1[nH]cc2 TS07121 [0,1,0,0,1,0|1,0,0]=3 1028 B12R2.315 CNc1cccc2c1[nH]cc2 TS40443 [0,1,0,0,1,0|1,0,0]=3 1029 B12R2.315 CNc1cccc2n1ncc2 TS40547 [0,1,0,0,1,0|2,0,0]=4 1030 B12R2.315 COc1c2c(cc[nH]2)ccn1 TS07433 [0,1,0,0,1,0|2,0,0]=4 1031 B12R2.315 COc1c2c(ccn1)cco2 TS90407 [0,1,0,0,1,0|2,0,0]=4 1032 B12R2.315 COc1c2cc[nH]c2ccn1 TS40619 [0,1,0,0,1,0|2,0,0]=4 1033 B12R2.315 COc1cccc2c1[nH]cc2 TS55687 [0,1,0,0,1,0|1,0,0]=3 1034 B12R2.315 COc1cccc2c1[nH]nc2 TS39798 [0,1,0,0,1,0|2,0,0]=4 1035 B12R2.315 COc1cccc2c1cc[nH]2 TS03147 [0,1,0,0,1,0|1,0,0]=3 1036 B12R2.315 COc1cccc2c1occ2 TS07423 [0,1,0,0,1,0|1,0,0]=3 1037 B12R2.315 COc1cccc2n1ccn2 TS40624 [0,1,0,0,1,0|2,0,0]=4 1038 B12R2.315 COc1ccnc2c1[nH]cc2 TS07435 [0,1,0,0,1,0|2,0,0]=4 1039 B12R2.315 COc1ccnc2c1cc[nH]2 TS71198 [0,1,0,0,1,0|2,0,0]=4 1040 B12R2.315 COc1cncc2c1[nH]cc2 TS92506 [0,1,0,0,1,0|2,0,0]=4 1041 B12R2.315 COc1cncc2c1cc[nH]2 TS88190 [0,1,0,0,1,0|2,0,0]=4 1042 B12R2.315 c1c[nH]c2c1c(ccn2)CN TS88075 [0,1,0,0,1,0|2,0,0]=4 1043 B12R2.315 c1c[nH]c2c1c(ccn2)CO TS87746 [0,1,0,0,1,0|2,0,0]=4 1044 B12R2.315 c1cc(c2c(c1)nc[nH]2)CN TS07351 [0,1,0,0,1,0|2,0,0]=4 1045 B12R2.315 c1cc(c2cc[nH]c2c1)C#N TS03061 [0,1,0,0,1,0|1,0,1]=4 1046 B12R2.315 c1cc(c2cc[nH]c2c1)C=O TS07669 [0,1,0,0,1,0|1,0,1]=4 1047 B12R2.315 c1cc(c2cc[nH]c2c1)CN TS40447 [0,1,0,0,1,0|1,0,0]=3 1048 B12R2.315 c1cc(c2cc[nH]c2c1)CO TS40521 [0,1,0,0,1,0|1,0,0]=3 1049 B12R2.315 c1cc(c2cn[nH]c2c1)CN TS90429 [0,1,0,0,1,0|2,0,0]=4 1050 B12R2.315 c1cc(c2cn[nH]c2c1)CO TS87080 [0,1,0,0,1,0|2,0,0]=4 1051 B12R2.315 c1cc(c2nccn2c1)CO TS89359 [0,1,0,0,1,0|2,0,0]=4 1052 B12R2.315 c1cc2c(nccn2c1)CO TS92502 [0,1,0,0,1,0|2,0,0]=4 1053 B12R2.315 c1cc2cc[nH]c2c(c1)C#N TS16512 [0,1,0,0,1,0|1,0,1]=4 1054 B12R2.315 c1cc2cc[nH]c2c(c1)C=O TS16520 [0,1,0,0,1,0|1,0,1]=4 1055 B12R2.315 c1cc2cc[nH]c2c(c1)CO TS07328 [0,1,0,0,1,0|1,0,0]=3 1056 B12R2.315 c1cc2ccnn2c(c1)CO TS07431 [0,1,0,0,1,0|2,0,0]=4 1057 B12R2.315 c1cc2cn[nH]c2c(c1)CO TS88604 [0,1,0,0,1,0|2,0,0]=4 1058 B14R2.741 c1ccc2c(c1)ccc(c(=O)n2)I TS34501 [0,1,0,0,0,1|1,0,0]=3 1059 B14R2.92 COc1ccc2ccccc2c1Br TS56903 [0,2,0,0,0,0|1,0,0]=3 1060 B14R2.92 COc1ccc2ccccc2c1I TS34700 [0,2,0,0,0,0|1,0,0]=3 1061 B14R2.92 c1ccc2c(c1)c(=O)c(co2)C#N TS12977 [0,2,0,0,0,0|2,0,0]=4 1062 B14R2.92 c1ccc2c(c1)c(=O)c(co2)C=O TS45734 [0,2,0,0,0,0|2,0,0]=4 1063 B14R2.92 c1ccc2c(c1)c(c(cn2)C#N)Cl TS50829 [0,2,0,0,0,0|2,0,0]=4 1064 B14R2.92 c1ccc2c(c1)c(c(cn2)C#N)O TS45108 [0,2,0,0,0,0|2,0,0]=4 1065 B14R2.92 c1ccc2c(c1)c(c(cn2)C=O)O TS13310 [0,2,0,0,0,0|2,0,0]=4 1066 B14R2.92 c1ccc2c(c1)ccc(c2Br)C=O TS56610 [0,2,0,0,0,0|1,0,0]=3 1067 B14R2.92 c1ccc2c(c1)ccc(c2Br)CBr TS74570 [0,2,0,0,0,0|1,0,0]=3 1068 B14R2.92 c1ccc2c(c1)ccc(c2Cl)C=O TS17196 [0,2,0,0,0,0|1,0,0]=3 1069 B14R2.92 c1ccc2c(c1)ccc(c2O)C=O TS13140 [0,2,0,0,0,0|1,0,0]=3 1070 B14R2.92 c1ccc2c(c1)ccc(c2O)N=O TS13311 [0,2,0,0,0,0|1,0,0]=3 1071 B14R2.203 CC[n+]1c(ccc2c1cccc2)C TS58881 [0,2,0,0,0,0|1,0,0]=3 1072 B14R2.203 Cc1ccc2ccccc2c1CCl TS51212 [0,2,0,0,0,0|0,0,0]=2 1073 B14R2.203 c1cc2c(ccc(c2C#N)N)nc1 TS12676 [0,2,0,0,0,0|1,0,1]=4 1074 B14R2.203 c1ccc2c(c1)ccc(c2N=O)O TS13314 [0,2,0,0,0,0|1,0,0]=3 1075 B14R2.4513 Cc1ccc2c(c1)c(=O)c(co2)Br TS57193 [0,2,0,0,0,0|2,0,0]=4 1076 B14R2.4513 c1cc(c(c2c1ccc(=O)o2)O)O TS14149 [0,2,0,0,0,0|2,0,0]=4 1077 B14R2.4513 c1cc(cc2c1ccc(c2F)F)O TS01290 [0,2,0,0,0,0|1,0,0]=3 1078 B14R2.4513 c1cc2c(cc1Br)c(c(cn2)Br)Br TS66635 [0,2,0,0,0,0|2,0,0]=4 1079 B14R2.4513 c1cc2c(cc1Br)c(c(cn2)Br)Cl TS61667 [0,2,0,0,0,0|2,0,0]=4 1080 B14R2.4513 c1cc2c(cc1Br)c(c(cn2)Br)O TS74826 [0,2,0,0,0,0|2,0,0]=4 1081 B14R2.4513 c1cc2c(cc1Br)c(c(cn2)Cl)Br TS77306 [0,2,0,0,0,0|2,0,0]=4 1082 B14R2.4513 c1cc2c(cc1Br)c(c(cn2)Cl)Cl TS31191 [0,2,0,0,0,0|2,0,0]=4 1083 B14R2.4513 c1cc2c(cc1Br)c(c(cn2)Cl)O TS29267 [0,2,0,0,0,0|2,0,0]=4 1084 B14R2.4513 c1cc2c(cc1Cl)c(c(cn2)Cl)O TS21607 [0,2,0,0,0,0|2,0,0]=4 1085 B14R2.7724 *c1cc(c(c2c1cccn2)O)Cl TS14306 [0,2,0,0,0,0|2,0,0]=4 1086 B14R2.7724 CC1=CC(=O)c2ccccc2C1=O TS45447 [0,2,0,0,0,0|1,0,0]=3 1087 B14R2.7724 Cc1cc(c(c2c1cccn2)O)C TS03205 [0,2,0,0,0,0|1,0,0]=3 1088 B14R2.7724 Cc1cc(c2ccccc2c1C)C TS12869 [0,2,0,0,0,0|0,0,0]=2 1089 B14R2.7724 Cc1cc(c2ccccc2c1O)N TS20821 [0,2,0,0,0,0|1,0,0]=3 1090 B14R2.7724 Cc1cc(c2ccccc2c1O)O TS13489 [0,2,0,0,0,0|1,0,0]=3 1091 B14R2.7724 Cn1c2ccccc2c(=O)oc1=O TS13984 [0,2,0,0,0,0|2,0,0]=4 1092 B14R2.7724 Cn1c2ccccc2c(cc1=O)Cl TS51718 [0,2,0,0,0,0|1,0,0]=3 1093 B14R2.7724 Cn1c2ccccc2c(cc1=O)O TS13667 [0,2,0,0,0,0|1,0,0]=3 1094 B14R2.7724 c1cc2c(cc(c(c2nc1)O)Br)Br TS74825 [0,2,0,0,0,0|2,0,0]=4 1095 B14R2.7724 c1cc2c(cc(c(c2nc1)O)Br)Cl TS29265 [0,2,0,0,0,0|2,0,0]=4 1096 B14R2.7724 c1cc2c(cc(c(c2nc1)O)Cl)Cl TS44436 [0,2,0,0,0,0|2,0,0]=4 1097 B14R2.7724 c1cc2c(cc(c(c2nc1)O)I)Cl TS75847 [0,2,0,0,0,0|2,0,0]=4 1098 B14R2.7724 c1cc2c(cc(c(c2nc1)O)I)I TS80932 [0,2,0,0,0,0|2,0,0]=4 1099 B14R2.7724 c1ccc2c(c1)C(=CC(=O)C2=O)Cl TS17578 [0,2,0,0,0,0|1,0,0]=3 1100 B14R2.7724 c1ccc2c(c1)C(=CC(=O)C2=O)N TS13315 [0,2,0,0,0,0|1,0,0]=3 1101 B14R2.7724 c1ccc2c(c1)C(=O)C=C(C2=O)Cl TS17579 [0,2,0,0,0,0|1,0,0]=3 1102 B14R2.7724 c1ccc2c(c1)C(=O)C=C(C2=O)O TS45731 [0,2,0,0,0,0|1,0,0]=3 1103 B14R2.7724 c1ccc2c(c1)c(cc(c2O)Br)Br TS74738 [0,2,0,0,0,0|1,0,0]=3 1104 B14R2.7724 c1ccc2c(c1)c(cc(c2O)Cl)Cl TS21436 [0,2,0,0,0,0|1,0,0]=3 1105 B14R2.7724 c1ccc2c(c1)c(cc(c2O)Cl)O TS17965 [0,2,0,0,0,0|1,0,0]=3 1106 B14R2.8038 Cc1c(ccc2c1nccc2O)Cl TS51705 [0,2,0,0,0,0|1,0,0]=3 1107 B14R2.8038 Cc1ccc2c(ccnc2c1C)Cl TS51380 [0,2,0,0,0,0|1,0,0]=3 1108 B14R2.8038 Cc1ccc2c(ccnc2c1C)O TS13349 [0,2,0,0,0,0|1,0,0]=3 1109 B14R2.8038 Cc1cccc2c1ccc(c2C)C TS45180 [0,2,0,0,0,0|0,0,0]=2 1110 B14R2.8038 c1cc(c(c2c1c(ccn2)O)Cl)Cl TS44440 [0,2,0,0,0,0|2,0,0]=4 1111 B14R2.8038 c1cc2c(c(c1)Cl)ncc(c2O)Cl TS44441 [0,2,0,0,0,0|2,0,0]=4 1112 B14R2.8188 Cc1c(c(c2ccccc2n1)N)Br TS56911 [0,2,0,0,0,0|2,0,0]=4 1113 B14R2.8188 Cc1c(c2ccccc2nc1Cl)Cl TS44116 [0,2,0,0,0,0|2,0,0]=4 1114 B14R2.8188 Cc1cc2ccccc2c(c1C)C TS12868 [0,2,0,0,0,0|0,0,0]=2 1115 B14R2.8188 c1cc2c(cc(c(c2F)Br)F)nc1 TS61947 [0,2,0,0,0,0|2,0,0]=4 1116 B14R2.8188 c1ccc2c(c1)c(c(c(=O)[nH]2)Cl)O TS18125 [0,2,0,0,0,0|2,0,0]=4 1117 B14R2.28523 c1cc2c(c(c1)Cl)c(c(cn2)Cl)O TS21611 [0,2,0,0,0,0|2,0,0]=4 1118 B14R2.28523 c1cc2ccc(c(c2c(c1)N)N)Cl TS51570 [0,2,0,0,0,0|1,0,0]=3 1119 B14R2.29369 Cc1ccc2c(c(ccc2c1)C)C TS12878 [0,2,0,0,0,0|0,0,0]=2 1120 B14R2.29369 c1cc(=O)oc2c1c(c(cc2)N)I TS54987 [0,2,0,0,0,0|2,0,0]=4 1121 B14R2.29369 c1cc(c(c2c1cc(cc2)Br)Br)O TS74739 [0,2,0,0,0,0|1,0,0]=3 1122 B14R2.29369 c1cc(c(c2c1cc(cc2)Br)Cl)O TS29106 [0,2,0,0,0,0|1,0,0]=3 1123 B14R2.29369 c1cc(c(c2c1cc(cc2)O)F)F TS47839 [0,2,0,0,0,0|1,0,0]=3 1124 B14R2.29369 c1cc2c(cc1Cl)ncc(c2Br)Br TS77305 [0,2,0,0,0,0|2,0,0]=4 1125 B14R2.29369 c1cc2c(cc1Cl)ncc(c2Cl)Br TS31192 [0,2,0,0,0,0|2,0,0]=4 1126 B14R2.29369 c1cc2c(cc1Cl)ncc(c2Cl)I TS77463 [0,2,0,0,0,0|2,0,0]=4 1127 B14R2.29369 c1cc2c(cc1Cl)ncc(c2O)Br TS29266 [0,2,0,0,0,0|2,0,0]=4 1128 B14R2.29369 c1cc2c(cc1Cl)ncc(c2O)I TS75848 [0,2,0,0,0,0|2,0,0]=4 1129 B14R2.142 COc1ccc2c(c1)c(ccn2)Br TS70984 [0,2,0,0,0,0|2,0,0]=4 1130 B14R2.142 COc1ccc2c(c1)c(ccn2)Cl TS16637 [0,2,0,0,0,0|2,0,0]=4 1131 B14R2.142 COc1ccc2c(c1)c(ccn2)I TS34803 [0,2,0,0,0,0|2,0,0]=4 1132 B14R2.142 COc1ccc2c(c1)c(ccn2)N TS55622 [0,2,0,0,0,0|2,0,0]=4 1133 B14R2.142 COc1ccc2c(c1)c(ccn2)O TS01261 [0,2,0,0,0,0|2,0,0]=4 1134 B14R2.142 COc1ccc2cc[nH]c(=O)c2c1 TS13663 [0,2,0,0,0,0|2,0,0]=4 1135 B14R2.142 Cc1ccnc2c1cc(cc2)OC TS03168 [0,2,0,0,0,0|1,0,0]=3 1136 B14R2.142 c1cc(cc2c1cc[nH]c2=O)C=O TS13304 [0,2,0,0,0,0|2,0,0]=4 1137 B14R2.142 c1cc(cc2c1ccnc2Cl)C=O TS17379 [0,2,0,0,0,0|2,0,0]=4 1138 B14R2.142 c1cc2c(cc1C#N)c(ccn2)Cl TS50832 [0,2,0,0,0,0|2,0,0]=4 1139 B14R2.142 c1cc2c(cc1C#N)c(ccn2)O TS45105 [0,2,0,0,0,0|2,0,0]=4 1140 B14R2.142 c1cc2ccc(nc2c(c1)O)C#N TS12795 [0,2,0,0,0,0|2,0,0]=4 1141 B14R2.142 c1cc2ccc(nc2c(c1)O)C=O TS01867 [0,2,0,0,0,0|2,0,0]=4 1142 B14R2.8045 Cc1cc(c2c(c1)c(ccn2)Cl)C TS17386 [0,2,0,0,0,0|1,0,0]=3 1143 B14R2.8045 Cc1cc(c2c(c1)c(ccn2)O)C TS13357 [0,2,0,0,0,0|1,0,0]=3 1144 B14R2.8045 Cc1cc(c2cccc(c2n1)Br)Cl TS28975 [0,2,0,0,0,0|2,0,0]=4 1145 B14R2.8045 Cc1cc(c2cccc(c2n1)Br)O TS26131 [0,2,0,0,0,0|2,0,0]=4 1146 B14R2.8045 Cc1cc(c2cccc(c2n1)Cl)Cl TS44114 [0,2,0,0,0,0|2,0,0]=4 1147 B14R2.8045 Cc1cc(c2cccc(c2n1)Cl)O TS51713 [0,2,0,0,0,0|2,0,0]=4 1148 B14R2.8045 Cc1cc(c2cccc(c2n1)F)Cl TS18140 [0,2,0,0,0,0|2,0,0]=4 1149 B14R2.8045 Cc1cc(c2cccc(c2n1)F)O TS14006 [0,2,0,0,0,0|2,0,0]=4 1150 B14R2.8045 Cc1cc(c2cccc(c2n1)O)Cl TS09009 [0,2,0,0,0,0|2,0,0]=4 1151 B14R2.8045 Cc1cc(cc2c1nccc2Br)Cl TS28978 [0,2,0,0,0,0|1,0,0]=3 1152 B14R2.8045 Cc1cc(cc2c1nccc2O)Cl TS51710 [0,2,0,0,0,0|1,0,0]=3 1153 B14R2.8045 Cc1cc(nc2c1cccc2O)C TS00642 [0,2,0,0,0,0|1,0,0]=3 1154 B14R2.8045 Cc1cc2c(ccnc2c(c1)Cl)O TS51720 [0,2,0,0,0,0|2,0,0]=4 1155 B14R2.8045 Cc1cccc2c1[nH]c(=O)oc2=O TS46243 [0,2,0,0,0,0|2,0,0]=4 1156 B14R2.8045 Cc1cccc2c1nc(cc2Br)C TS25841 [0,2,0,0,0,0|1,0,0]=3 1157 B14R2.8045 Cc1cccc2c1nc(cc2C)C TS45345 [0,2,0,0,0,0|1,0,0]=3 1158 B14R2.8045 Cc1cccc2c1nc(cc2C)Cl TS17381 [0,2,0,0,0,0|1,0,0]=3 1159 B14R2.8045 Cc1cccc2c1nc(cc2C)O TS45644 [0,2,0,0,0,0|1,0,0]=3 1160 B14R2.8045 Cc1cccc2c1nc(cc2Cl)C TS17384 [0,2,0,0,0,0|1,0,0]=3 1161 B14R2.8045 Cc1cccc2c1nc(cc2O)C TS45628 [0,2,0,0,0,0|1,0,0]=3 1162 B14R2.8045 Cc1ccnc2c1cc(cc2C)C TS13045 [0,2,0,0,0,0|1,0,0]=3 1163 B14R2.8045 c1cnc2c(c1Cl)cc(cc2Cl)Cl TS25282 [0,2,0,0,0,0|2,0,0]=4 1164 B14R2.8045 c1cnc2c(c1Cl)cc(cc2F)F TS18877 [0,2,0,0,0,0|2,0,0]=4 1165 B14R2.8045 c1cnc2c(c1N)cc(cc2Cl)Cl TS21441 [0,2,0,0,0,0|2,0,0]=4 1166 B14R2.8045 c1cnc2c(c1O)cc(cc2Cl)Cl TS21606 [0,2,0,0,0,0|2,0,0]=4 1167 B14R2.8045 c1cnc2c(c1O)cc(cc2F)F TS14728 [0,2,0,0,0,0|2,0,0]=4 1168 B14R2.8045 c1coc2c(c1=O)cc(cc2Cl)Cl TS21815 [0,2,0,0,0,0|2,0,0]=4 1169 B14R2.8235 Cc1c2cc(ccc2nc(n1)Cl)Br TS59729 [0,2,0,0,0,0|2,0,0]=4 1170 B14R2.8235 Cc1cc(=O)c2cc(ccc2o1)Br TS57194 [0,2,0,0,0,0|2,0,0]=4 1171 B14R2.8235 Cc1cc(=O)oc2c1cc(cc2)N TS45936 [0,2,0,0,0,0|1,0,0]=3 1172 B14R2.8235 Cc1cc(=O)oc2c1cc(cc2)O TS46055 [0,2,0,0,0,0|1,0,0]=3 1173 B14R2.8235 Cc1cc(c2cc(ccc2n1)Br)Cl TS28976 [0,2,0,0,0,0|2,0,0]=4 1174 B14R2.8235 Cc1cc(c2cc(ccc2n1)Br)N TS56907 [0,2,0,0,0,0|2,0,0]=4 1175 B14R2.8235 Cc1cc(c2cc(ccc2n1)Br)O TS26140 [0,2,0,0,0,0|2,0,0]=4 1176 B14R2.8235 Cc1cc(c2cc(ccc2n1)Cl)Cl TS44113 [0,2,0,0,0,0|2,0,0]=4 1177 B14R2.8235 Cc1cc(c2cc(ccc2n1)Cl)O TS51706 [0,2,0,0,0,0|2,0,0]=4 1178 B14R2.8235 Cc1cc(c2cc(ccc2n1)F)Cl TS18139 [0,2,0,0,0,0|2,0,0]=4 1179 B14R2.8235 Cc1cc(c2cc(ccc2n1)F)O TS14005 [0,2,0,0,0,0|2,0,0]=4 1180 B14R2.8235 Cc1ccc2c(c1)c(=O)cc(o2)C TS13487 [0,2,0,0,0,0|2,0,0]=4 1181 B14R2.8235 Cc1ccc2c(c1)c(cc(=O)o2)O TS39751 [0,2,0,0,0,0|2,0,0]=4 1182 B14R2.8235 Cc1ccc2c(c1)c(cc(n2)C)C TS13046 [0,2,0,0,0,0|1,0,0]=3 1183 B14R2.8235 Cc1ccc2c(c1)c(cc(n2)C)Cl TS51384 [0,2,0,0,0,0|2,0,0]=4 1184 B14R2.8235 Cc1ccc2c(c1)c(cc(n2)C)O TS47321 [0,2,0,0,0,0|2,0,0]=4 1185 B14R2.8235 Cc1ccc2cc(cc(c2c1)C)C TS12877 [0,2,0,0,0,0|0,0,0]=2 1186 B14R2.8235 c1cc(cc2c1cc(nc2Cl)Cl)Br TS91668 [0,2,0,0,0,0|2,0,0]=4 1187 B14R2.8235 c1cc2c(cc1Br)c(cc(=O)o2)O TS57491 [0,2,0,0,0,0|2,0,0]=4 1188 B14R2.8235 c1cc2c(cc1Cl)c(cc(=O)o2)N TS52086 [0,2,0,0,0,0|2,0,0]=4 1189 B14R2.8235 c1cc2c(cc1Cl)c(cc(=O)o2)O TS18359 [0,2,0,0,0,0|2,0,0]=4 1190 B14R2.8235 c1cc2c(cc1F)c(cc(n2)Cl)Cl TS47206 [0,2,0,0,0,0|2,0,0]=4 1191 B14R2.8751 Cc1ccc2c(ccc(c2c1)C)C TS45188 [0,2,0,0,0,0|0,0,0]=2 1192 B14R2.11684 COc1cccc2c1nc(cc2)Cl TS51708 [0,2,0,0,0,0|1,0,0]=3 1193 B14R2.11684 COc1cccc2c1oc(=O)cc2 TS46060 [0,2,0,0,0,0|1,0,0]=3 1194 B14R2.11684 COc1ccnc2c1cc(cc2)Br TS26136 [0,2,0,0,0,0|1,0,0]=3 1195 B14R2.11684 Cc1ccc2c(c1)c(ccn2)OC TS45630 [0,2,0,0,0,0|1,0,0]=3 1196 B14R2.11684 Cc1ccc2cccc(c2n1)OC TS13360 [0,2,0,0,0,0|1,0,0]=3 1197 B14R2.11684 c1cc2c(cc1F)c(ccn2)NN TS14010 [0,2,0,0,0,0|2,0,0]=4 1198 B14R2.11684 c1cc2ccc(cc2c(c1)C#N)O TS55680 [0,2,0,0,0,0|0,0,1]=3 1199 B14R2.28472 Cc1cc2c(cc1Cl)c(=O)cco2 TS17969 [0,2,0,0,0,0|2,0,0]=4 1200 B14R2.28472 Cc1cc2c(ccnc2cc1C)O TS13361 [0,2,0,0,0,0|2,0,0]=4 1201 B14R2.28472 Cc1cccc2c1cc(c(c2)C)C TS45179 [0,2,0,0,0,0|0,0,0]=2 1202 B14R2.28472 Cc1cccc2c1nc(c(c2)C)Cl TS51382 [0,2,0,0,0,0|1,0,0]=3 1203 B14R2.28472 Cc1cccc2c1nc(c(c2)C)N TS13199 [0,2,0,0,0,0|1,0,0]=3 1204 B14R2.28472 c1cnc2cc(c(cc2c1Cl)Cl)Cl TS71051 [0,2,0,0,0,0|2,0,0]=4 1205 B14R2.28472 c1cnc2cc(c(cc2c1Cl)F)F TS18878 [0,2,0,0,0,0|2,0,0]=4 1206 B14R2.28472 c1cnc2cc(c(cc2c1O)Cl)Cl TS21609 [0,2,0,0,0,0|2,0,0]=4 1207 B14R2.28472 c1cnc2cc(c(cc2c1O)F)F TS48043 [0,2,0,0,0,0|2,0,0]=4 1208 B14R2.1019 CCc1cc(=O)c2ccccc2o1 TS13499 [0,2,0,0,0,0|2,0,0]=4 1209 B14R2.1019 COc1cc2cccnc2c(c1)N TS55623 [0,2,0,0,0,0|2,0,0]=4 1210 B14R2.1019 Cc1c2ccccc2nc(n1)CCl TS93065 [0,2,0,0,0,0|2,0,0]=4 1211 B14R2.1019 Cc1cc(nc2c1cccc2)NN TS45656 [0,2,0,0,0,0|1,0,0]=3 1212 B14R2.1146 COc1cc(=O)[nH]c2c1cccc2 TS13674 [0,2,0,0,0,0|1,0,0]=3 1213 B14R2.1146 COc1cc(=O)oc2c1cccc2 TS46061 [0,2,0,0,0,0|1,0,0]=3 1214 B14R2.1146 COc1cc(cc2c1cccc2)N TS64490 [0,2,0,0,0,0|0,0,0]=2 1215 B14R2.1146 COc1cc(cc2c1cccc2)N TS71204 [0,2,0,0,0,0|0,0,0]=2 1216 B14R2.1146 COc1cc(cc2c1cccc2)N TS84369 [0,2,0,0,0,0|0,0,0]=2 1217 B14R2.1146 Cc1cc(c2ccccc2n1)C#N TS12544 [0,2,0,0,0,0|1,0,1]=4 1218 B14R2.1146 Cc1cc(c2ccccc2n1)CO TS13356 [0,2,0,0,0,0|1,0,0]=3 1219 B14R2.1146 Cc1cc(c2ccccc2n1)NN TS94078 [0,2,0,0,0,0|2,0,0]=4 1220 B14R2.1146 c1ccc2c(c1)c(cc(=O)[nH]2)CBr TS09611 [0,2,0,0,0,0|1,0,0]=3 1221 B14R2.1146 c1ccc2c(c1)c(cc(n2)Cl)C#N TS50828 [0,2,0,0,0,0|1,0,1]=4 1222 B14R2.28480 Cc1cc(c2c(ccnc2c1)Cl)C TS51383 [0,2,0,0,0,0|1,0,0]=3 1223 B14R2.28480 Cc1cc(c2c(ccnc2c1)O)C TS45635 [0,2,0,0,0,0|1,0,0]=3 1224 B14R2.28480 Cc1cccc2c1c(cc(c2)C)C TS45187 [0,2,0,0,0,0|0,0,0]=2 1225 B14R2.28480 c1cnc2cc(cc(c2c1O)Cl)Cl TS21608 [0,2,0,0,0,0|2,0,0]=4 1226 B14R2.29365 Cc1cc(=O)[nH]c2c1ccc(c2)N TS16306 [0,2,0,0,0,0|1,0,0]=3 1227 B14R2.29365 Cc1cc(=O)c2ccc(cc2[nH]1)Cl TS51717 [0,2,0,0,0,0|2,0,0]=4 1228 B14R2.29365 Cc1cc(=O)oc2c1ccc(c2)N TS33490 [0,2,0,0,0,0|1,0,0]=3 1229 B14R2.29365 Cc1cc(=O)oc2c1ccc(c2)N TS64846 [0,2,0,0,0,0|1,0,0]=3 1230 B14R2.29365 Cc1cc(=O)oc2c1ccc(c2)O TS46066 [0,2,0,0,0,0|1,0,0]=3 1231 B14R2.29365 Cc1cc(=O)oc2c1ccc(c2)S TS17489 [0,2,0,0,0,0|1,0,0]=3 1232 B14R2.29365 Cc1cc(=O)oc2c1ccc(c2)[O-] TS18575 [0,2,0,0,0,0|1,0,0]=3 1233 B14R2.29365 Cc1cc(c2ccc(cc2n1)Br)Cl TS28979 [0,2,0,0,0,0|2,0,0]=4 1234 B14R2.29365 Cc1cc(c2ccc(cc2n1)Br)O TS26132 [0,2,0,0,0,0|2,0,0]=4 1235 B14R2.29365 Cc1cc(c2ccc(cc2n1)Cl)Cl TS44117 [0,2,0,0,0,0|2,0,0]=4 1236 B14R2.29365 Cc1cc(c2ccc(cc2n1)F)Cl TS18138 [0,2,0,0,0,0|2,0,0]=4 1237 B14R2.29365 Cc1cc(c2ccc(cc2n1)F)O TS14004 [0,2,0,0,0,0|2,0,0]=4 1238 B14R2.29365 Cc1cc(nc2c1ccc(c2)Cl)C TS17382 [0,2,0,0,0,0|1,0,0]=3 1239 B14R2.29365 Cc1cc(nc2c1ccc(c2)F)C TS13695 [0,2,0,0,0,0|1,0,0]=3 1240 B14R2.29365 Cc1cc(nc2c1ccc(n2)N)C TS45663 [0,2,0,0,0,0|2,0,0]=4 1241 B14R2.29365 Cc1cc(nc2c1ccc(n2)N)O TS45967 [0,2,0,0,0,0|2,0,0]=4 1242 B14R2.29365 Cc1ccc2c(cc(=O)oc2c1)C TS13500 [0,2,0,0,0,0|1,0,0]=3 1243 B14R2.29365 Cc1ccc2c(cc(nc2c1)C)C TS45346 [0,2,0,0,0,0|1,0,0]=3 1244 B14R2.29365 c1c2cc(cnc2c(cc1F)N)Br TS26631 [0,2,0,0,0,0|2,0,0]=4 1245 B14R2.29365 c1cc(=O)oc2c1c(cc(c2)O)O TS22854 [0,2,0,0,0,0|2,0,0]=4 1246 B14R2.29365 c1cc2c(cc(=O)oc2cc1O)O TS47476 [0,2,0,0,0,0|2,0,0]=4 1247 B14R2.29365 c1cc2c(cc1Br)cc(nc2Cl)Cl TS31193 [0,2,0,0,0,0|2,0,0]=4 1248 B14R2.29496 CC1=CC(Nc2c1cccc2)(C)C TS13394 [0,2,0,0,0,0|1,0,1]=4 1249 B14R2.1078 COc1cccc2c1nccc2Br TS26138 [0,2,0,0,0,0|1,0,0]=3 1250 B14R2.1078 COc1cccc2c1nccc2Cl TS59612 [0,2,0,0,0,0|1,0,0]=3 1251 B14R2.1078 COc1cccc2c1nccc2N TS13506 [0,2,0,0,0,0|1,0,0]=3 1252 B14R2.1078 COc1cccc2c1nccc2O TS13686 [0,2,0,0,0,0|1,0,0]=3 1253 B14R2.1078 Cc1cccc2c1nccc2NN TS13364 [0,2,0,0,0,0|1,0,0]=3 1254 B14R2.1078 c1cc(c2c(c1)c(ccn2)Br)C#N TS53429 [0,2,0,0,0,0|1,0,1]=4 1255 B14R2.1078 c1cc(c2c(c1)c(ccn2)Cl)C#N TS50830 [0,2,0,0,0,0|1,0,1]=4 1256 B14R2.1078 c1cc(c2c(c1)c(ccn2)O)C#N TS45107 [0,2,0,0,0,0|1,0,1]=4 1257 B14R2.1078 c1cc2c(ccnc2c(c1)Br)C=O TS56737 [0,2,0,0,0,0|1,0,1]=4 1258 B14R2.1078 c1cc2c(ccnc2c(c1)Br)CN TS64762 [0,2,0,0,0,0|1,0,0]=3 1259 B14R2.1078 c1cc2c(ccnc2c(c1)Br)CO TS26139 [0,2,0,0,0,0|1,0,0]=3 1260 B14R2.1078 c1cc2c(ccnc2c(c1)F)NN TS14011 [0,2,0,0,0,0|2,0,0]=4 1261 B14R2.1078 c1cc2c(ccnc2c(c1)F)NN TS44403 [0,2,0,0,0,0|2,0,0]=4 1262 B14R2.8051 Cc1ccc(c2c1c(ccn2)Cl)C TS17385 [0,2,0,0,0,0|1,0,0]=3 1263 B14R2.8051 Cc1ccc(c2c1c(ccn2)O)C TS13363 [0,2,0,0,0,0|1,0,0]=3 1264 B14R2.8051 Cc1ccc(c2c1nccc2O)Cl TS51704 [0,2,0,0,0,0|1,0,0]=3 1265 B14R2.8051 Cc1cccc2c1c(ccc2C)C TS12870 [0,2,0,0,0,0|0,0,0]=2 1266 B14R2.8051 c1cc(c2c(c1Cl)c(ccn2)O)Cl TS44437 [0,2,0,0,0,0|2,0,0]=4 1267 B14R2.8051 c1cc2c(c(c1)O)C(=O)C=CC2=O TS71566 [0,2,0,0,0,0|1,0,0]=3 1268 B14R2.1131 C#Cc1ccc(c2c1ccnc2)Cl TS50623 [0,2,0,0,0,0|1,0,1]=4 1269 B14R2.1131 COc1ccc(c2c1cccc2)Br TS00414 [0,2,0,0,0,0|0,0,0]=2 1270 B14R2.1131 COc1ccc(c2c1cccc2)I TS34699 [0,2,0,0,0,0|0,0,0]=2 1271 B14R2.1131 COc1ccc(c2c1cccc2)O TS13490 [0,2,0,0,0,0|0,0,0]=2 1272 B14R2.1131 COc1ccc(c2c1cccn2)N TS13516 [0,2,0,0,0,0|1,0,0]=3 1273 B14R2.1131 CSc1ccc(c2c1cccc2)F TS17528 [0,2,0,0,0,0|0,0,0]=2 1274 B14R2.1131 Cc1ccc(c2c1cccc2)C=O TS12811 [0,2,0,0,0,0|0,0,0]=2 1275 B14R2.1131 Cc1ccc(c2c1cccc2)CO TS45495 [0,2,0,0,0,0|0,0,0]=2 1276 B14R2.1131 c1cc2c(ccc(c2nc1)O)CCl TS52943 [0,2,0,0,0,0|1,0,0]=3 1277 B14R2.1131 c1cc2c(ccc(c2nc1)O)N=O TS45746 [0,2,0,0,0,0|2,0,0]=4 1278 B14R2.1131 c1ccc2c(c1)c(c[nH]c2=O)C=O TS77124 [0,2,0,0,0,0|1,0,1]=4 1279 B14R2.1131 c1ccc2c(c1)c(ccc2Br)CO TS56905 [0,2,0,0,0,0|0,0,0]=2 1280 B14R2.1131 c1ccc2c(c1)c(ccc2Cl)NN TS24680 [0,2,0,0,0,0|1,0,0]=3 1281 B14R2.1131 c1ccc2c(c1)c(ccc2F)C#N TS45291 [0,2,0,0,0,0|0,0,1]=3 1282 B14R2.1131 c1ccc2c(c1)c(ccc2N)C#N TS12547 [0,2,0,0,0,0|0,0,1]=3 1283 B14R2.1131 c1ccc2c(c1)c(ccn2=O)NO TS13826 [0,2,0,0,0,0|2,0,0]=4 1284 B14R2.1131 c1ccc2c(c1)c(n[nH]c2=O)CN TS45953 [0,2,0,0,0,0|2,0,0]=4 1285 B14R2.1073 Cc1ccc2c(ccnc2c1)NN TS13365 [0,2,0,0,0,0|2,0,0]=4 1286 B14R2.1073 c1cc2c(ccnc2cc1Cl)NN TS17739 [0,2,0,0,0,0|2,0,0]=4 1287 B14R2.7150 C=CCc1cccc2c1cccc2 TS12570 [0,2,0,0,0,0|0,0,0]=2 1288 B14R2.7150 CCCc1cccc2c1cccc2 TS12875 [0,2,0,0,0,0|0,0,0]=2 1289 B14R2.7150 CCNc1cccc2c1cccc2 TS13039 [0,2,0,0,0,0|0,0,0]=2 1290 B14R2.7150 CCNc1cccc2c1cccc2 TS20458 [0,2,0,0,0,0|0,0,0]=2 1291 B14R2.7150 CCNc1cccc2c1cccc2 TS28296 [0,2,0,0,0,0|0,0,0]=2 1292 B14R2.7150 CCOc1cccc2c1cccc2 TS45486 [0,2,0,0,0,0|0,0,0]=2 1293 B14R2.7150 CCOc1cccc2c1nccc2 TS45647 [0,2,0,0,0,0|1,0,0]=3 1294 B14R2.7150 CCOc1ccnc2c1cccc2 TS45641 [0,2,0,0,0,0|1,0,0]=3 1295 B14R2.7150 CNCc1cccc2c1cccc2 TS45347 [0,2,0,0,0,0|0,0,0]=2 1296 B14R2.7150 CNCc1cccc2c1cccc2 TS56411 [0,2,0,0,0,0|0,0,0]=2 1297 B14R2.7150 CNCc1cccc2c1nccc2 TS13194 [0,2,0,0,0,0|1,0,0]=3 1298 B14R2.7150 c1cc(c2cccnc2c1)CCN TS13198 [0,2,0,0,0,0|1,0,0]=3 1299 B14R2.7150 c1cc2cccnc2c(c1)CC#N TS12551 [0,2,0,0,0,0|1,0,0]=3 1300 B14R2.7150 c1cc2cnccc2c(c1)CCN TS13191 [0,2,0,0,0,0|1,0,0]=3 1301 B14R2.7150 c1ccc2c(c1)cccc2CC#N TS43256 [0,2,0,0,0,0|0,0,0]=2 1302 B14R2.7150 c1ccc2c(c1)cccc2CCBr TS25702 [0,2,0,0,0,0|0,0,0]=2 1303 B14R2.7150 c1ccc2c(c1)cccc2CCCl TS51213 [0,2,0,0,0,0|0,0,0]=2 1304 B14R2.7150 c1ccc2c(c1)cccc2CCN TS45344 [0,2,0,0,0,0|0,0,0]=2 1305 B14R2.7150 c1ccc2c(c1)cccc2CCO TS08152 [0,2,0,0,0,0|0,0,0]=2 1306 B14R2.7150 c1ccc2c(c1)cccc2N=C=S TS48754 [0,2,0,0,0,0|0,0,1]=3 1307 B14R2.7150 c1ccc2c(c1)cccc2NC=O TS45303 [0,2,0,0,0,0|0,0,1]=3 1308 B14R2.7150 c1ccc2c(c1)cncc2CCO TS45633 [0,2,0,0,0,0|1,0,0]=3 1309 B14R2.11635 COc1cccc2c1c(ccn2)Cl TS71043 [0,2,0,0,0,0|1,0,0]=3 1310 B14R2.11635 COc1cccc2c1c(ccn2)O TS03123 [0,2,0,0,0,0|1,0,0]=3 1311 B14R2.11635 COc1cccc2c1c(ncn2)N TS45963 [0,2,0,0,0,0|2,0,0]=4 1312 B14R2.11635 c1cc(c2c(c1)nccc2Cl)C#N TS50834 [0,2,0,0,0,0|1,0,1]=4 1313 B14R2.11635 c1cc(c2c(c1)nccc2O)C#N TS45106 [0,2,0,0,0,0|1,0,1]=4 1314 B14R2.11635 c1cc2cccc(c2c(c1)CO)Br TS56902 [0,2,0,0,0,0|0,0,0]=2 1315 B14R2.11635 c1cc2cccc(c2c(c1)CO)I TS34701 [0,2,0,0,0,0|0,0,0]=2 1316 B14R2.31359 B(c1cccc2c1cccc2)(O)O TS47008 [0,2,0,0,0,0|1,0,0]=3 1317 B14R2.31359 B(c1cccc2c1cccn2)(O)O TS55505 [0,2,0,0,0,0|2,0,0]=4 1318 B14R2.31359 B(c1cccc2c1nccc2)(O)O TS94316 [0,2,0,0,0,0|2,0,0]=4 1319 B14R2.31359 B(c1ccnc2c1cccc2)(O)O TS01322 [0,2,0,0,0,0|2,0,0]=4 1320 B14R2.31359 B(c1cncc2c1cccc2)(O)O TS64907 [0,2,0,0,0,0|2,0,0]=4 1321 B14R2.31359 CC(=O)c1cccc2c1cccc2 TS46832 [0,2,0,0,0,0|0,0,0]=2 1322 B14R2.31359 CC(C)c1cccc2c1cccc2 TS12866 [0,2,0,0,0,0|0,0,0]=2 1323 B14R2.31359 CC(c1cccc2c1cccc2)N TS45348 [0,2,0,0,0,0|0,0,0]=2 1324 B14R2.31359 CC(c1cccc2c1cccc2)O TS45475 [0,2,0,0,0,0|0,0,0]=2 1325 B14R2.31359 CN(C)c1cccc2c1cccc2 TS13041 [0,2,0,0,0,0|0,0,0]=2 1326 B14R2.31359 C[C@@H](c1cccc2c1cccc2)N TS08093 [0,2,0,0,0,0|0,0,0]=2 1327 B14R2.31359 C[C@@H](c1cccc2c1cccc2)N TS20457 [0,2,0,0,0,0|0,0,0]=2 1328 B14R2.31359 C[C@@H](c1cccc2c1cccc2)O TS08094 [0,2,0,0,0,0|0,0,0]=2 1329 B14R2.31359 C[C@H](c1cccc2c1cccc2)N TS13040 [0,2,0,0,0,0|0,0,0]=2 1330 B14R2.31359 C[C@H](c1cccc2c1cccc2)N TS20459 [0,2,0,0,0,0|0,0,0]=2 1331 B14R2.31359 C[C@H](c1cccc2c1cccc2)O TS45491 [0,2,0,0,0,0|0,0,0]=2 1332 B14R2.31359 c1cc(c2cccnc2c1)C(=S)N TS16032 [0,2,0,0,0,0|1,0,1]=4 1333 B14R2.31359 c1cc2c(cccn2)c(c1)[N+](=O)[O-] TS45748 [0,2,0,0,0,0|2,0,0]=4 1334 B14R2.31359 c1cc2cccnc2c(c1)C(=O)O TS01323 [0,2,0,0,0,0|1,0,1]=4 1335 B14R2.31359 c1cc2cccnc2c(c1)C(=S)N TS16033 [0,2,0,0,0,0|1,0,1]=4 1336 B14R2.31359 c1cc2cccnc2c(c1)C(Br)Br TS74660 [0,2,0,0,0,0|1,0,0]=3 1337 B14R2.31359 c1cc2cccnc2c(c1)[N+](=O)[O-] TS01321 [0,2,0,0,0,0|2,0,0]=4 1338 B14R2.31359 c1cc2ccncc2c(c1)C(=O)O TS56197 [0,2,0,0,0,0|1,0,1]=4 1339 B14R2.31359 c1cc2ccncc2c(c1)C(=S)N TS16034 [0,2,0,0,0,0|1,0,1]=4 1340 B14R2.31359 c1cc2cnccc2c(c1)C(=O)O TS56196 [0,2,0,0,0,0|1,0,1]=4 1341 B14R2.31359 c1cc2cnccc2c(c1)C(=S)N TS16037 [0,2,0,0,0,0|1,0,1]=4 1342 B14R2.31359 c1cc2cnccc2c(c1)[N+](=O)[O-] TS01166 [0,2,0,0,0,0|2,0,0]=4 1343 B14R2.31359 c1ccc2c(c1)c(ccn2)C(=O)O TS03190 [0,2,0,0,0,0|1,0,1]=4 1344 B14R2.31359 c1ccc2c(c1)c(ccn2)C(=S)N TS50768 [0,2,0,0,0,0|1,0,1]=4 1345 B14R2.31359 c1ccc2c(c1)cccc2C(=N)N TS20293 [0,2,0,0,0,0|0,0,1]=3 1346 B14R2.31359 c1ccc2c(c1)cccc2C(=N)N TS45142 [0,2,0,0,0,0|0,0,1]=3 1347 B14R2.31359 c1ccc2c(c1)cccc2C(=O)Cl TS77185 [0,2,0,0,0,0|0,0,1]=3 1348 B14R2.31359 c1ccc2c(c1)cccc2C(=O)N TS13005 [0,2,0,0,0,0|0,0,1]=3 1349 B14R2.31359 c1ccc2c(c1)cccc2C(=O)O TS47009 [0,2,0,0,0,0|0,0,1]=3 1350 B14R2.31359 c1ccc2c(c1)cccc2[N+](=O)[O-] TS00058 [0,2,0,0,0,0|1,0,0]=3 1351 B14R2.31359 c1ccc2c(c1)ccnc2C(=S)N TS16038 [0,2,0,0,0,0|1,0,1]=4 1352 B14R2.31359 c1ccc2c(c1)cncc2C(=O)O TS56194 [0,2,0,0,0,0|1,0,1]=4 1353 B14R2.31359 c1ccc2c(c1)cncc2[N+](=O)[O-] TS09752 [0,2,0,0,0,0|2,0,0]=4 1354 B14R2.1801 COc1ccc2c(c1)cc[nH]c2=O TS13672 [0,2,0,0,0,0|2,0,0]=4 1355 B14R2.1801 COc1ccc2c(c1)cccc2Br TS56904 [0,2,0,0,0,0|1,0,0]=3 1356 B14R2.1801 COc1ccc2c(c1)cccc2O TS01252 [0,2,0,0,0,0|1,0,0]=3 1357 B14R2.1801 COc1ccc2c(c1)cccn2=O TS13666 [0,2,0,0,0,0|2,0,0]=4 1358 B14R2.1801 COc1ccc2c(c1)ccnc2Cl TS46934 [0,2,0,0,0,0|2,0,0]=4 1359 B14R2.1801 COc1ccc2c(ccnc2c1)Br TS26137 [0,2,0,0,0,0|2,0,0]=4 1360 B14R2.1801 COc1ccc2c(ccnc2c1)Cl TS71054 [0,2,0,0,0,0|2,0,0]=4 1361 B14R2.1801 COc1ccc2c(ccnc2c1)N TS60372 [0,2,0,0,0,0|2,0,0]=4 1362 B14R2.1801 COc1ccc2c(ccnc2c1)O TS71165 [0,2,0,0,0,0|2,0,0]=4 1363 B14R2.1801 c1cc2c(ccnc2cc1C#N)Cl TS50831 [0,2,0,0,0,0|2,0,0]=4 1364 B14R2.1801 c1cc2c(ccnc2cc1C#N)O TS12792 [0,2,0,0,0,0|2,0,0]=4 1365 B14R2.1801 c1cc2cc(ccc2c(c1)Br)C=O TS56609 [0,2,0,0,0,0|1,0,0]=3 1366 B12R2.2 c1cc(cnc1)c2cccs2 TS42331 [0,0,1,1,0,0|2,0,0]=4 1367 B12R2.2 c1ccc(cc1)C2=CCCC2 TS07010 [0,0,1,1,0,0|0,0,2]=4 1368 B12R2.2 c1ccc(cc1)c2[nH]ccn2 TS06961 [0,0,1,1,0,0|2,0,0]=4 1369 B12R2.2 c1ccc(cc1)c2c[nH]cn2 TS40184 [0,0,1,1,0,0|2,0,0]=4 1370 B12R2.2 c1ccc(cc1)c2cc[nH]n2 TS32943 [0,0,1,1,0,0|2,0,0]=4 1371 B12R2.2 c1ccc(cc1)c2ccc[nH]2 TS06875 [0,0,1,1,0,0|1,0,0]=3 1372 B12R2.2 c1ccc(cc1)c2ccco2 TS06959 [0,0,1,1,0,0|1,0,0]=3 1373 B12R2.2 c1ccc(cc1)c2cccs2 TS11300 [0,0,1,1,0,0|1,0,0]=3 1374 B12R2.2 c1ccc(cc1)c2ccno2 TS07081 [0,0,1,1,0,0|2,0,0]=4 1375 B12R2.2 c1ccc(cc1)c2ccns2 TS42330 [0,0,1,1,0,0|2,0,0]=4 1376 B12R2.2 c1ccc(cc1)c2ccon2 TS07088 [0,0,1,1,0,0|2,0,0]=4 1377 B12R2.2 c1ccc(cc1)c2ccsc2 TS11297 [0,0,1,1,0,0|1,0,1]=4 1378 B12R2.2 c1ccc(cc1)c2cncs2 TS11439 [0,0,1,1,0,0|2,0,0]=4 1379 B12R2.2 c1ccc(cc1)c2cscn2 TS42332 [0,0,1,1,0,0|2,0,0]=4 1380 B12R2.2 c1ccc(cc1)c2nccs2 TS11436 [0,0,1,1,0,0|2,0,0]=4 1381 B12R2.2 c1ccc(cc1)n2cccc2 TS06871 [0,0,1,1,0,0|1,0,1]=4 1382 B12R2.2 c1ccc(cc1)n2cccn2 TS40183 [0,0,1,1,0,0|2,0,0]=4 1383 B12R2.2 c1ccnc(c1)c2cccs2 TS11437 [0,0,1,1,0,0|2,0,0]=4 1384 B12R2.32 C=Cc1[nH]c2ccccc2n1 TS40188 [0,0,1,1,0,0|2,0,0]=4 1385 B12R2.32 CCC1=Cc2ccccc2C1 TS07003 [0,0,1,1,0,0|0,0,2]=4 1386 B12R2.32 c1ccc2c(c1)cc([nH]2)C=O TS59905 [0,0,1,1,0,0|2,0,0]=4 1387 B12R2.32 c1ccc2c(c1)cc(o2)C=O TS55751 [0,0,1,1,0,0|2,0,0]=4 1388 B12R2.32 c1ccc2c(c1)cc(s2)C=O TS09022 [0,0,1,1,0,0|2,0,0]=4 1389 B12R2.41 c1ccc2c(c1)CCCC=C2 TS06996 [0,0,1,1,0,0|0,0,2]=4 1390 B12R2.2017 c1ccc2ccccc(c1)C2 TS06722 [0,0,1,1,0,0|0,0,0]=2 1391 B12R2.2017 c1ccc2ccccc(c1)O2 TS06958 [0,0,1,1,0,0|1,0,0]=3 1392 B14R3.164 c1cc2cccc3c2c(c1)C=C3 TS85292 [0,1,0,1,0,0|0,0,1]=3 1393 B14R3.164 c1cc2cccc3c2c(c1)CC3 TS10455 [0,1,0,1,0,0|0,0,0]=2 1394 B14R3.164 c1cc2cccc3c2c(c1)SS3 TS51178 [0,1,0,1,0,0|1,0,0]=3 1395 B10R2.7 c1c[nH]c2c1ccnc2 TS01216 [1,0,0,0,1,0|2,0,0]=4 1396 B10R2.7 c1c[nH]c2c1cncc2 TS71394 [1,0,0,0,1,0|2,0,0]=4 1397 B10R2.7 c1cc2c(cc[nH]2)nc1 TS70929 [1,0,0,0,1,0|2,0,0]=4 1398 B10R2.7 c1cc2c(cco2)nc1 TS89676 [1,0,0,0,1,0|2,0,0]=4 1399 B10R2.7 c1cc2c(ccs2)nc1 TS89324 [1,0,0,0,1,0|2,0,0]=4 1400 B10R2.7 c1cc2cc[nH]c2nc1 TS01299 [1,0,0,0,1,0|2,0,0]=4 1401 B10R2.7 c1ccc2c(c1)CC=C2 TS21648 [1,0,0,0,1,0|0,0,1]=3 1402 B10R2.7 c1ccc2c(c1)CC=C2 TS39603 [1,0,0,0,1,0|0,0,1]=3 1403 B10R2.7 c1ccc2c(c1)[nH]cn2 TS04721 [1,0,0,0,1,0|2,0,0]=4 1404 B10R2.7 c1ccc2c(c1)cc[nH]2 TS59671 [1,0,0,0,1,0|1,0,0]=3 1405 B10R2.7 c1ccc2c(c1)cc[se]2 TS48035 [1,0,0,0,1,0|1,0,0]=3 1406 B10R2.7 c1ccc2c(c1)cco2 TS39813 [1,0,0,0,1,0|1,0,0]=3 1407 B10R2.7 c1ccc2c(c1)ccs2 TS55756 [1,0,0,0,1,0|1,0,0]=3 1408 B10R2.7 c1ccc2c(c1)cn[nH]2 TS04722 [1,0,0,0,1,0|2,0,0]=4 1409 B10R2.7 c1ccc2c(c1)cn[nH]2 TS72162 [1,0,0,0,1,0|2,0,0]=4 1410 B10R2.7 c1ccc2c(c1)cno2 TS32395 [1,0,0,0,1,0|2,0,0]=4 1411 B10R2.7 c1ccc2c(c1)cns2 TS06001 [1,0,0,0,1,0|2,0,0]=4 1412 B10R2.7 c1ccc2c(c1)con2 TS32394 [1,0,0,0,1,0|2,0,0]=4 1413 B10R2.7 c1ccc2c(c1)nco2 TS32393 [1,0,0,0,1,0|2,0,0]=4 1414 B10R2.7 c1ccc2c(c1)ncs2 TS05999 [1,0,0,0,1,0|2,0,0]=4 1415 B10R2.7 c1ccn2c(c1)ccn2 TS04725 [1,0,0,0,1,0|2,0,0]=4 1416 B10R2.7 c1ccn2cccc2c1 TS04676 [1,0,0,0,1,0|1,0,0]=3 1417 B10R2.7 c1ccn2ccnc2c1 TS56184 [1,0,0,0,1,0|2,0,0]=4 1418 B10R2.7 c1ccn2cncc2c1 TS01484 [1,0,0,0,1,0|2,0,0]=4 1419 B10R2.320 c1ccc2c(c1)CC2=O TS55758 [0,0,0,0,2,0|1,0,1]=4