0 B12R2.612 Cc1c2ccc(cc2[nH]n1)Br WX637351 [0,0,0,0,0,0|1,1,0]=2 1 B12R2.612 Cc1c2ccc(cc2[nH]n1)O WX645011 [0,0,0,0,0,0|2,0,0]=2 2 B12R2.612 Cc1ccc2c(c1)CCC2O WX642032 [0,0,0,0,0,0|3,0,1]=4 3 B12R2.612 Cc1ccc2c(c1)[nH]nc2I WX638053 [0,0,0,0,0,0|2,0,0]=2 4 B12R2.612 Cc1ccc2c(c[nH]c2n1)Br WX637306 [0,0,0,0,0,0|4,0,0]=4 5 B12R2.612 Cc1ccn2c(c1)nnc2O WX649088 [0,0,0,0,0,0|2,0,1]=3 6 B12R2.612 Cn1c2ccc(cc2cn1)Br WX637303 [0,0,0,0,0,0|3,1,0]=4 7 B12R2.612 Cn1c2ccc(cc2cn1)N WX609373 [0,0,0,0,0,0|4,0,0]=4 8 B12R2.612 c1c2c(cnc1Br)c(n[nH]2)I WXC04649 [0,0,0,0,0,0|2,1,0]=3 9 B12R2.612 c1cc2c(cc1Br)CCC2O WX633165 [0,0,0,0,0,0|2,1,1]=4 10 B12R2.612 c1cc2c(cc1Br)CC[C@H]2O WX633147 [0,0,0,0,0,0|2,1,1]=4 11 B12R2.612 c1cc2c(cc1Br)CNC2=O WX633084 [0,0,0,0,0,0|1,1,2]=4 12 B12R2.612 c1cc2c(cc1Br)onc2N WX609288 [0,0,0,0,0,0|2,1,0]=3 13 B12R2.612 c1cc2c(cc1Cl)[nH]nc2I WXC02215 [0,0,0,0,0,0|1,1,0]=2 14 B11R2.1 Cn1c2ccccc2cn1 WX690064 [1,0,0,0,0,0|3,0,0]=4 15 B11R2.1 c1cc2c(c(n[nH]2)N)nc1 WX606101 [1,0,0,0,0,0|2,0,0]=3 16 B11R2.1 c1cc2c(c(no2)N)nc1 WX609206 [1,0,0,0,0,0|3,0,0]=4 17 B11R2.1 c1cc2c(c[nH]c2nc1)Br WX637327 [1,0,0,0,0,0|3,0,0]=4 18 B11R2.1 c1cc2c(c[nH]c2nc1)Cl WX636321 [1,0,0,0,0,0|3,0,0]=4 19 B11R2.1 c1cc2c(c[nH]c2nc1)I WX638057 [1,0,0,0,0,0|3,0,0]=4 20 B11R2.1 c1ccc2c(c1)CCC2O WX649087 [1,0,0,0,0,0|2,0,1]=4 21 B11R2.1 c1ccc2c(c1)CNC2=O WX619030 [1,0,0,0,0,0|1,0,2]=4 22 B11R2.1 c1ccc2c(c1)c(co2)Br WX637107 [1,0,0,0,0,0|3,0,0]=4 23 B11R2.1 c1ccn2c(c1)nnc2O WX645024 [1,0,0,0,0,0|1,0,1]=3 24 B11R2.1 c1cncc2c1c(c[nH]2)Br WX633072 [1,0,0,0,0,0|3,0,0]=4 25 B11R2.1 c1cncc2c1c(n[nH]2)Cl WX636003 [1,0,0,0,0,0|2,0,0]=3 26 B11R2.1 c1cncc2c1c(n[nH]2)N WX606100 [1,0,0,0,0,0|2,0,0]=3 27 B11R2.36 Cc1ccc2c(c1)NCC2 WX604533 [1,0,0,0,0,0|2,0,1]=4 28 B11R2.36 Cc1ccc2c(c1)cn[nH]2 WX690069 [1,0,0,0,0,0|3,0,0]=4 29 B11R2.36 Cc1ccc2cc[nH]c2c1 WX690210 [1,0,0,0,0,0|2,0,0]=3 30 B11R2.36 Cc1ccc2cc[nH]c2n1 WX690236 [1,0,0,0,0,0|3,0,0]=4 31 B11R2.36 c1c(cnc2c1[nH]nc2)Br WX637340 [1,0,0,0,0,0|1,1,0]=3 32 B11R2.36 c1c2c(cnc1Cl)cn[nH]2 WXC01805 [1,0,0,0,0,0|1,1,0]=3 33 B11R2.36 c1c[nH]c2c1ncc(c2)Br WX637186 [1,0,0,0,0,0|2,1,0]=4 34 B11R2.36 c1c[nH]c2c1ncc(c2)Cl WX636104 [1,0,0,0,0,0|2,1,0]=4 35 B11R2.36 c1cc(cc2c1cc[nH]2)Cl WX636210 [1,0,0,0,0,0|1,1,0]=3 36 B11R2.36 c1cc(cn2c1cnc2)Br WX637328 [1,0,0,0,0,0|2,1,0]=4 37 B11R2.36 c1cc2c(cc1Br)cn[nH]2 WX637324 [1,0,0,0,0,0|2,1,0]=4 38 B11R2.36 c1cc2c(cc1Cl)[nH]cn2 WX632043 [1,0,0,0,0,0|2,1,0]=4 39 B11R2.36 c1cc2c(cc1I)cn[nH]2 WX638023 [1,0,0,0,0,0|2,1,0]=4 40 B11R2.36 c1cc2c(cc1N)cn[nH]2 WX609435 [1,0,0,0,0,0|3,0,0]=4 41 B11R2.36 c1cc2cn[nH]c2cc1Br WX633020 [1,0,0,0,0,0|0,1,0]=2 42 B13R2.662 CCc1c2ccc(cc2[nH]n1)Br WX637248 [0,1,0,0,0,0|1,1,0]=3 43 B13R2.662 Cc1ccc2c(c1)[nH]cc2C=O WX624118 [0,1,0,0,0,0|2,0,1]=4 44 B13R2.662 Cc1ccc2c(c1)[nH]cc2CO WX640012 [0,1,0,0,0,0|2,0,0]=3 45 B13R2.662 c1cc2c(cc1F)[nH]cc2C=O WX624195 [0,1,0,0,0,0|1,0,1]=3 46 B13R2.2130 Cc1c2ccc(cc2[nH]n1)OC WX690025 [0,1,0,0,0,0|2,0,0]=3 47 B13R2.5187 Cn1c2cc(ccc2c(n1)N)Br WX609332 [0,1,0,0,0,0|1,1,0]=3 48 B13R2.11634 c1c2c(cc(c1F)Br)C(=O)CC2 WXC02669 [0,1,0,0,0,0|2,0,1]=4 49 B11R1.22 Cc1ccc(cc1)C(=S)NN WXC00707 [0,0,1,0,0,0|1,1,1]=4 50 B11R1.22 Cc1ccc(cc1)\C(=N/O)\N WX690131 [0,0,1,0,0,0|3,0,0]=4 51 B11R1.22 c1cc(ccc1C(=S)NN)Cl WXC00711 [0,0,1,0,0,0|0,2,1]=4 52 B11R1.22 c1cc(ccc1C(=S)NN)F WXC00709 [0,0,1,0,0,0|0,1,1]=3 53 B11R1.22 c1cc(ccc1C(CN)O)Br WX600145 [0,0,1,0,0,0|1,1,1]=4 54 B11R1.22 c1cc(ccc1\C(=N\O)\N)O WX690142 [0,0,1,0,0,0|3,0,0]=4 55 B11R1.166 Cc1ccc(c(c1)F)C(=O)O WX612018 [0,0,1,0,0,0|3,0,0]=4 56 B13R2.3683 Cc1ccc2c(c1)ccc(n2)O WX649065 [0,0,0,0,0,1|3,0,0]=4 57 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)F WX619207 [0,0,0,0,0,1|2,0,1]=4 58 B13R2.3683 c1cc(cc2c1cc(nc2)N)Br WX633032 [0,0,0,0,0,1|2,1,0]=4 59 B13R2.3683 c1cc(nc2c1cc(cc2)O)O WX649037 [0,0,0,0,0,1|3,0,0]=4 60 B13R2.5179 Cc1ccc2c(c1)NCCC2=O WX604451 [0,0,0,0,0,1|2,0,1]=4 61 B13R2.5179 c1cc2c(cc1Cl)ncnc2O WX636185 [0,0,0,0,0,1|0,1,1]=3 62 B13R2.5179 c1cc2c(cc1F)CCCC2=O WX635022 [0,0,0,0,0,1|2,0,1]=4 63 B13R2.5179 c1cc2c(cc1F)CCNC2=O WX619209 [0,0,0,0,0,1|1,0,2]=4 64 B13R2.5179 c1cc2c(ccnc2Cl)cc1Br WX637094 [0,0,0,0,0,1|2,1,0]=4 65 B13R2.5179 c1cc2c(ccnc2N)cc1Br WX609228 [0,0,0,0,0,1|2,1,0]=4 66 B10R1.1 c1cc(ccc1\C=N\O)Cl WX632026 [1,0,1,0,0,0|1,1,0]=4 67 B10R1.13 c1cc(ccc1C(=N)N)Br WX684427 [1,0,1,0,0,0|1,1,0]=4 68 B10R1.13 c1cc(ccc1C(=N)N)Br WX690071 [1,0,1,0,0,0|1,1,0]=4 69 B10R1.13 c1cc(ccc1C(=O)N)N WXC02462 [1,0,1,0,0,0|1,0,1]=4 70 B10R1.15 c1ccc(cc1)C(=S)NN WXC00705 [1,0,1,0,0,0|0,1,1]=4 71 B10R1.15 c1ccc(cc1)\C(=N\O)\N WX690132 [1,0,1,0,0,0|2,0,0]=4 72 B10R1.25 c1cc(c(cc1F)F)C=O WXC00153 [1,0,1,0,0,0|1,0,1]=4 73 B10R1.25 c1cc(c(cc1F)O)C=O WX622072 [1,0,1,0,0,0|1,0,1]=4 74 B10R1.30 CCc1cc(ccc1O)F WX645008 [1,0,1,0,0,0|2,0,0]=4 75 B10R1.61 B(c1ccccc1N)(O)O WX650019 [1,0,1,0,0,0|2,0,0]=4 76 B10R1.61 c1ccc(c(c1)C(=N)N)Cl WX619951 [1,0,1,0,0,0|2,0,0]=4 77 B10R1.61 c1ccc(c(c1)C(=N)N)F WX619904 [1,0,1,0,0,0|2,0,0]=4 78 B10R2.7 c1c[nH]c2c1ccnc2 WX690125 [2,0,0,0,0,0|2,0,0]=4 79 B10R2.7 c1c[nH]c2c1cncc2 WX690084 [2,0,0,0,0,0|2,0,0]=4 80 B10R2.7 c1cncc2c1cn[nH]2 WX606053 [2,0,0,0,0,0|1,0,0]=3 81 B10R2.7 c1cncc2c1cn[nH]2 WX606115 [2,0,0,0,0,0|1,0,0]=3 82 B12R1.232 c1c(c(cc(c1Cl)F)F)C(=O)O WX614054 [0,1,1,0,0,0|2,0,0]=4 83 B12R1.893 c1cc(c(c(c1C(=O)O)N)F)F WXC02103 [0,1,1,0,0,0|1,0,0]=3 84 B12R1.1000 c1c(cc(c(c1N)C(=O)O)F)F WXC02290 [0,1,1,0,0,0|1,0,0]=3 85 B12R2.1 c1cc2c(c[nH]c2nc1)CO WX640345 [1,1,0,0,0,0|2,0,0]=4 86 B12R2.1 c1ccc/2c(c1)CC\C2=N/O WX690241 [1,1,0,0,0,0|2,0,0]=4 87 B12R2.1 c1ccc2c(c1)c(c[nH]2)C=O WX624002 [1,1,0,0,0,0|1,0,1]=4 88 B12R2.1 c1ccc2c(c1)c(c[nH]2)CN WX603102 [1,1,0,0,0,0|2,0,0]=4 89 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO WX640278 [1,1,0,0,0,0|1,0,0]=3 90 B12R2.1 c1ccc2c(c1)c(n[nH]2)C=O WX624131 [1,1,0,0,0,0|0,0,1]=3 91 B12R2.1 c1ccc2c(c1)c(no2)CBr WX630337 [1,1,0,0,0,0|2,0,0]=4 92 B12R2.132 Cc1c[nH]c2c1cc(cc2)Br WX633205 [1,1,0,0,0,0|2,0,0]=4 93 B12R2.132 Cc1ccc2c(c1)c(n[nH]2)Br WX637069 [1,1,0,0,0,0|1,0,0]=3 94 B12R2.132 Cc1ccc2c(c1)c(n[nH]2)I WX638052 [1,1,0,0,0,0|1,0,0]=3 95 B12R2.132 Cc1ccc2nnc(n2c1)O WX645025 [1,1,0,0,0,0|1,0,1]=4 96 B12R2.132 c1cc2c(cc1Br)c(n[nH]2)I WX633003 [1,1,0,0,0,0|1,0,0]=3 97 B12R2.132 c1cc2c(cc1Br)c(n[nH]2)N WX609402 [1,1,0,0,0,0|1,0,0]=3 98 B12R2.132 c1cc2c(cc1N)c(n[nH]2)Cl WX609439 [1,1,0,0,0,0|1,0,0]=3 99 B12R2.196 Cc1c2cccc(c2[nH]n1)Br WX637104 [1,1,0,0,0,0|1,0,0]=3 100 B12R2.196 Cc1cccc2c1[nH]nc2I WX638054 [1,1,0,0,0,0|1,0,0]=3 101 B12R2.203 Cc1c2c(cccc2Br)[nH]n1 WX637132 [1,1,0,0,0,0|1,0,0]=3 102 B12R2.203 Cc1c[nH]c2c1c(ccc2)O WX645026 [1,1,0,0,0,0|2,0,0]=4 103 B12R2.203 Cc1cccc2c1c(n[nH]2)I WX638051 [1,1,0,0,0,0|1,0,0]=3 104 B12R2.203 c1cnc(c2c1[nH]nc2I)Cl WX638017 [1,1,0,0,0,0|2,0,0]=4 105 B12R2.2028 Cn1c2ccccc2c(n1)Br WX637115 [1,1,0,0,0,0|1,0,0]=3 106 B12R2.44 CCc1ccc2cc[nH]c2c1 WX690029 [1,1,0,0,0,0|2,0,0]=4 107 B12R2.44 COc1ccc2cc[nH]c2c1 WX690013 [1,1,0,0,0,0|2,0,0]=4 108 B12R2.44 c1cc(cc2c1cc[nH]2)C#N WX683519 [1,1,0,0,0,0|2,0,0]=4 109 B12R2.44 c1cc(cc2c1cc[nH]2)C=O WX625040 [1,1,0,0,0,0|2,0,0]=4 110 B12R2.82 c1cc(c(c2c1[nH]nc2)Cl)F WX632044 [1,1,0,0,0,0|2,0,0]=4 111 B12R2.100 Cc1cc2c(cc1N)cn[nH]2 WX606004 [1,1,0,0,0,0|1,0,0]=3 112 B12R2.100 Cc1cc2c(cc1N)cn[nH]2 WX609437 [1,1,0,0,0,0|1,0,0]=3 113 B12R2.100 c1c2cn[nH]c2cc(c1Br)F WX633239 [1,1,0,0,0,0|0,0,0]=2 114 B12R2.246 c1c(cc(c2c1[nH]nc2)F)Br WXC03412 [1,1,0,0,0,0|0,1,0]=3 115 B12R2.246 c1c[nH]c2c1c(cc(c2)Br)N WX609488 [1,1,0,0,0,0|1,1,0]=4 116 B12R2.606 c1cc2c(cc1F)[nH]c(=O)o2 WX619212 [1,1,0,0,0,0|2,0,0]=4 117 B14R2.1073 COc1c2ccc(cc2ccn1)Br WX637095 [0,1,0,0,0,1|1,1,0]=4 118 B14R2.28472 c1c2c(cc(c1Br)Cl)ncnc2O WX637300 [0,1,0,0,0,1|0,1,1]=4 119 B14R2.29365 c1cc2c(cc1F)cc(nc2Cl)Cl WX636308 [0,1,0,0,0,1|2,0,0]=4 120 B14R2.467 c1cc2c(cc1F)[nH]cc2CCN WX600047 [0,2,0,0,0,0|2,0,0]=4 121 B12R1.49 c1cc(ccc1CC(=O)NN)F WX684044 [0,0,1,0,0,1|0,0,2]=4 122 B12R1.49 c1cc(ccc1C\C(=N\O)\N)F WX690158 [0,0,1,0,0,1|2,0,0]=4