0 B10R1.61 c1cc(c(nc1)C(=O)O)S 20895 [0,0,0,0,0,0|2,1,0]=3 1 B10R1.61 c1ccc(c(c1)C(=O)O)N 18708 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.61 c1cncc(c1N)C(=O)O 20733 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.6 c1cc(cnc1)C(=O)N 11127 [1,0,0,0,0,0|1,0,0]=2 4 B9R1.6 c1ccc(cc1)C(=N)N 20651 [1,0,0,0,0,0|1,0,0]=2 5 B9R1.6 c1ccnc(c1)C(=S)N 13043 [1,0,0,0,0,0|1,1,0]=3 6 B9R1.6 c1cnc(cn1)C(=S)N 10551 [1,0,0,0,0,0|2,1,0]=4 7 B9R1.6 c1cnc(nc1)C(=O)O 10007123 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.6 c1cnccc1C(=S)N 13056 [1,0,0,0,0,0|1,1,0]=3 9 B9R1.6 c1cncnc1C(=O)O 10010564 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.6 c1cncnc1C(=O)[O-] 10007113 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.15 COc1ccccc1O 70430 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.156 Cc1cccc(c1C(=O)O)O 19199 [0,1,0,0,0,0|1,0,0]=2 13 B11R1.159 c1cc(c(c(c1)O)N)C(=O)O 20512 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.167 c1cc(c(cc1F)C(=O)O)N 16669 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.167 c1cc(c(cc1N)C(=O)O)O 70265 [0,1,0,0,0,0|1,0,0]=2 16 B11R1.222 Cc1ccccc1\C(=N\O)\N 13002 [0,1,0,0,0,0|1,0,1]=3 17 B11R1.222 c1ccc(c(c1)\C(=N\O)\N)N 11062 [0,1,0,0,0,0|1,0,1]=3 18 B11R2.1 c1ccc2c(c1)nnn2N 15252 [0,0,0,1,0,0|3,0,0]=4 19 B11R1.86 CC(Cc1ccccc1Br)N 9001848 [0,0,0,0,0,1|2,0,1]=4 20 B11R1.86 CC(Cc1ccccc1Cl)N 9001854 [0,0,0,0,0,1|2,0,1]=4 21 B11R1.86 CC(Cc1ccccc1F)N 11419 [0,0,0,0,0,1|2,0,1]=4 22 B11R1.86 CC(Cc1ccccc1I)N 9001851 [0,0,0,0,0,1|2,0,1]=4 23 B8R1.2 c1ccc(cc1)N=O 21009 [2,0,0,0,0,0|1,0,0]=3 24 B10R1.13 Cc1ccc(cc1)C(=S)N 13229 [1,1,0,0,0,0|0,1,0]=3 25 B10R1.13 c1cc(ccc1C(=O)[O-])N 18659 [1,1,0,0,0,0|1,0,0]=3 26 B10R1.13 c1cc(ccc1C(=S)N)N 11063 [1,1,0,0,0,0|0,1,0]=3 27 B10R1.13 c1cc(ncc1C(=O)N)N 10009315 [1,1,0,0,0,0|1,0,0]=3 28 B10R1.13 c1cc(ncc1C(=S)N)N 13389 [1,1,0,0,0,0|1,1,0]=4 29 B10R1.15 CC(CN)c1ccccc1 17742 [1,1,0,0,0,0|1,0,1]=4 30 B10R1.15 c1cc(cnc1)\C(=N\O)\N 13004 [1,1,0,0,0,0|1,0,1]=4 31 B10R1.15 c1ccc(cc1)[C@H](CO)N 10007132 [1,1,0,0,0,0|0,0,2]=4 32 B10R1.15 c1ccc(cc1)\C(=N\O)\N 13230 [1,1,0,0,0,0|0,0,1]=3 33 B10R1.15 c1ccnc(c1)\C(=N\O)\N 13003 [1,1,0,0,0,0|1,0,1]=4 34 B10R1.15 c1cnccc1C(=O)NN 20378 [1,1,0,0,0,0|1,0,0]=3 35 B10R1.15 c1cnccc1\C(=N\O)\N 13005 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.113 C[n+]1cccc(c1)C(=O)N 16604 [1,1,0,0,0,0|1,0,0]=3 37 B10R1.113 C[n+]1cccc(c1)C(=O)O 11904 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.113 Cc1cccc(c1)C(=S)N 13228 [1,1,0,0,0,0|0,1,0]=3 39 B10R1.113 c1cc(cc(c1)N)C(=O)N 10397 [1,1,0,0,0,0|0,0,0]=2 40 B10R1.113 c1cc(cc(c1)N)C(=S)N 11064 [1,1,0,0,0,0|0,1,0]=3 41 B12R1.75 CC(Cc1ccccc1OC)N 9001915 [0,1,0,0,0,1|1,0,1]=4 42 B12R1.124 CC(=O)C(c1ccccc1F)N 11607 [0,1,0,0,0,1|2,0,0]=4 43 B12R1.127 c1cc(c(cc1O)CC(=O)O)O 20045 [0,1,0,0,0,1|1,0,0]=3 44 B12R1.261 c1cc(c(nc1)C(=O)O)C(=O)O 14941 [0,2,0,0,0,0|2,0,0]=4 45 B12R1.1000 CC(=O)c1c(cc(cc1O)O)O 19451 [0,2,0,0,0,0|1,0,0]=3 46 B12R1.1000 CC(=O)c1c(cc(cc1O)O)O 19451 [0,2,0,0,0,0|1,0,0]=3 47 B12R1.452 CC(=O)c1ccc(cc1O)OC 19862 [0,2,0,0,0,0|1,0,0]=3