0 B9R1.6 c1cc(cnc1)C(=O)N 11127 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.6 c1ccc(cc1)C(=N)N 20651 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.6 c1ccnc(c1)C(=S)N 13043 [0,0,0,0,0,0|3,1,0]=4 3 B9R1.6 c1cnc(cn1)C(=S)N 10551 [0,0,0,0,0,0|2,1,0]=3 4 B9R1.6 c1cnc(nc1)C(=O)O 10007123 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.6 c1cnccc1C(=S)N 13056 [0,0,0,0,0,0|3,1,0]=4 6 B9R1.6 c1cncnc1C(=O)O 10010564 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.6 c1cncnc1C(=O)[O-] 10007113 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.2 c1ccc(cc1)N=O 21009 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.13 Cc1ccc(cc1)C(=S)N 13229 [0,1,0,0,0,0|2,1,0]=4 10 B10R1.13 c1cc(ccc1C(=O)[O-])N 18659 [0,1,0,0,0,0|2,0,0]=3 11 B10R1.13 c1cc(ccc1C(=S)N)N 11063 [0,1,0,0,0,0|2,1,0]=4 12 B10R1.13 c1cc(ncc1C(=O)N)N 10009315 [0,1,0,0,0,0|1,0,0]=2 13 B10R1.13 c1cc(ncc1C(=S)N)N 13389 [0,1,0,0,0,0|1,1,0]=3 14 B10R1.15 CC(CN)c1ccccc1 17742 [0,1,0,0,0,0|2,0,1]=4 15 B10R1.15 COC(=O)c1ccncn1 10007114 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.15 COC(=O)c1ncccn1 10007119 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.15 c1cc(cnc1)\C(=N\O)\N 13004 [0,1,0,0,0,0|1,0,1]=3 18 B10R1.15 c1ccc(cc1)[C@H](CO)N 10007132 [0,1,0,0,0,0|2,0,1]=4 19 B10R1.15 c1ccc(cc1)\C(=N\O)\N 13230 [0,1,0,0,0,0|2,0,1]=4 20 B10R1.15 c1cnc(cn1)\C(=N\O)\N 11059 [0,1,0,0,0,0|2,0,1]=4 21 B10R1.15 c1cnccc1C(=O)NN 20378 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.61 c1cc(c(nc1)C(=O)O)S 20895 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.61 c1ccc(c(c1)C(=O)O)N 18708 [0,1,0,0,0,0|2,0,0]=3 24 B10R1.61 c1cncc(c1N)C(=O)O 20733 [0,1,0,0,0,0|1,0,0]=2 25 B10R1.113 C[n+]1cccc(c1)C(=O)N 16604 [0,1,0,0,0,0|1,0,1]=3 26 B10R1.113 C[n+]1cccc(c1)C(=O)O 11904 [0,1,0,0,0,0|1,0,1]=3 27 B10R1.113 Cc1cccc(c1)C(=S)N 13228 [0,1,0,0,0,0|2,1,0]=4 28 B10R1.113 c1cc(cc(c1)N)C(=O)N 10397 [0,1,0,0,0,0|2,0,0]=3 29 B10R1.113 c1cc(cc(c1)N)C(=S)N 11064 [0,1,0,0,0,0|2,1,0]=4 30 B10R1.18 CC(=O)Cc1ccccc1 16103 [0,0,0,0,0,1|1,0,0]=2 31 B10R1.18 CC(=O)Cc1ccccc1 16444 [0,0,0,0,0,1|1,0,0]=2 32 B10R1.18 C[C@@H](Cc1ccccc1)N 14204 [0,0,0,0,0,1|2,0,1]=4 33 B10R1.18 C[C@@H](Cc1ccccc1)N 15650 [0,0,0,0,0,1|2,0,1]=4 34 B10R1.18 c1ccc(cc1)CC(=O)O 18709 [0,0,0,0,0,1|2,0,0]=3 35 B7R1.3 c1cnc(cn1)N 10007093 [2,0,0,0,0,0|2,0,0]=4 36 B9R1.8 c1ccc(cc1)CCBr 20087 [1,1,0,0,0,0|1,0,1]=4 37 B9R1.8 c1ccc(cc1)CCN 14206 [1,1,0,0,0,0|1,0,1]=4 38 B9R1.15 COc1ccccc1O 70430 [1,1,0,0,0,0|2,0,0]=4 39 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 16115 [0,1,0,0,0,1|1,0,0]=3 40 B11R1.20 CC(=O)Nc1ccc(cc1)O 10024 [0,1,0,0,0,1|1,0,0]=3 41 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O 10007128 [0,1,0,0,0,1|2,0,0]=4 42 B11R1.21 Cn1cc(ccc1=O)C(=O)N 20507 [0,2,0,0,0,0|1,0,1]=4 43 B11R1.21 c1cc(c(cc1C(=O)O)O)O 14916 [0,2,0,0,0,0|2,0,0]=4 44 B11R1.22 c1cc(ccc1C(=O)CBr)O 19766 [0,2,0,0,0,0|1,0,0]=3 45 B11R1.22 c1cc(ccc1C(=O)NN)N 14845 [0,2,0,0,0,0|2,0,0]=4 46 B11R1.22 c1cc(ncc1\C(=N\O)\N)N 13384 [0,2,0,0,0,0|1,0,1]=4 47 B11R1.12 CCN(c1ccccc1)N=O 21063 [0,2,0,0,0,0|2,0,0]=4 48 B11R1.156 Cc1cccc(c1C(=O)O)O 19199 [0,2,0,0,0,0|2,0,0]=4 49 B11R1.159 c1cc(c(c(c1)O)N)C(=O)O 20512 [0,2,0,0,0,0|2,0,0]=4 50 B11R1.167 c1cc(c(cc1F)C(=O)O)N 16669 [0,2,0,0,0,0|2,0,0]=4 51 B11R1.167 c1cc(c(cc1N)C(=O)O)O 70265 [0,2,0,0,0,0|2,0,0]=4 52 B11R1.74 c1c(cc(cc1O)Cl)C(=O)O 16795 [0,2,0,0,0,0|2,0,0]=4 53 B11R1.91 CC(=N)NCc1ccccc1 13570 [0,0,0,0,0,2|2,0,0]=4