0 B9R1.6 c1cc(cnc1)C(=O)N 11127 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.6 c1ccc(cc1)C(=N)N 20651 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.6 c1ccnc(c1)C(=S)N 13043 [0,0,0,0,0,0|2,1,0]=3 3 B9R1.6 c1cnc(cn1)C(=S)N 10551 [0,0,0,0,0,0|3,1,0]=4 4 B9R1.6 c1cnc(nc1)C(=O)O 10007123 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.6 c1cnccc1C(=S)N 13056 [0,0,0,0,0,0|2,1,0]=3 6 B9R1.6 c1cncnc1C(=O)O 10010564 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.6 c1cncnc1C(=O)[O-] 10007113 [0,0,0,0,0,0|2,0,1]=3 8 B8R1.2 c1ccc(cc1)N=O 21009 [1,0,0,0,0,0|1,0,0]=2 9 B8R1.2 c1cnc(nc1)CO 10007112 [1,0,0,0,0,0|2,0,1]=4 10 B8R1.2 c1cncnc1CO 10007111 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.13 Cc1ccc(cc1)C(=S)N 13229 [0,1,0,0,0,0|1,1,0]=3 12 B10R1.13 c1cc(ccc1C(=O)[O-])N 18659 [0,1,0,0,0,0|0,0,1]=2 13 B10R1.13 c1cc(ccc1C(=S)N)N 11063 [0,1,0,0,0,0|1,1,0]=3 14 B10R1.13 c1cc(ncc1C(=O)N)N 10009315 [0,1,0,0,0,0|2,0,0]=3 15 B10R1.13 c1cc(ncc1C(=S)N)N 13389 [0,1,0,0,0,0|2,1,0]=4 16 B10R1.15 CC(CN)c1ccccc1 17742 [0,1,0,0,0,0|2,0,1]=4 17 B10R1.15 COC(=O)c1ccncn1 10007114 [0,1,0,0,0,0|2,0,0]=3 18 B10R1.15 COC(=O)c1ncccn1 10007119 [0,1,0,0,0,0|2,0,0]=3 19 B10R1.15 c1cc(cnc1)\C(=N\O)\N 13004 [0,1,0,0,0,0|2,0,0]=3 20 B10R1.15 c1ccc(cc1)[C@H](CO)N 10007132 [0,1,0,0,0,0|1,0,1]=3 21 B10R1.15 c1ccc(cc1)\C(=N\O)\N 13230 [0,1,0,0,0,0|1,0,0]=2 22 B10R1.15 c1ccnc(c1)\C(=N\O)\N 13003 [0,1,0,0,0,0|2,0,0]=3 23 B10R1.15 c1cnc(cn1)\C(=N\O)\N 11059 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.15 c1cnccc1C(=O)NN 20378 [0,1,0,0,0,0|2,0,0]=3 25 B10R1.15 c1cnccc1\C(=N\O)\N 13005 [0,1,0,0,0,0|2,0,0]=3 26 B10R1.61 c1cc(c(nc1)C(=O)O)S 20895 [0,1,0,0,0,0|1,0,0]=2 27 B10R1.61 c1ccc(c(c1)C(=O)O)N 18708 [0,1,0,0,0,0|0,0,0]=1 28 B10R1.61 c1cncc(c1N)C(=O)O 20733 [0,1,0,0,0,0|1,0,0]=2 29 B10R1.113 C[n+]1cccc(c1)C(=O)N 16604 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.113 C[n+]1cccc(c1)C(=O)O 11904 [0,1,0,0,0,0|1,0,0]=2 31 B10R1.113 Cc1cccc(c1)C(=S)N 13228 [0,1,0,0,0,0|1,1,0]=3 32 B10R1.113 c1cc(cc(c1)N)C(=O)N 10397 [0,1,0,0,0,0|1,0,0]=2 33 B10R1.113 c1cc(cc(c1)N)C(=S)N 11064 [0,1,0,0,0,0|1,1,0]=3 34 B10R1.18 CC(=O)Cc1ccccc1 16103 [0,0,0,0,0,1|1,0,0]=2 35 B10R1.18 CC(=O)Cc1ccccc1 16444 [0,0,0,0,0,1|1,0,0]=2 36 B10R1.18 C[C@@H](Cc1ccccc1)N 14204 [0,0,0,0,0,1|2,0,1]=4 37 B10R1.18 C[C@@H](Cc1ccccc1)N 15650 [0,0,0,0,0,1|2,0,1]=4 38 B10R1.18 c1ccc(cc1)CC(=O)O 18709 [0,0,0,0,0,1|0,0,0]=1 39 B10R1.18 c1cnc(nc1)CC(=O)O 10007116 [0,0,0,0,0,1|2,0,0]=3 40 B7R1.3 c1cnccc1N 18511 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.8 c1ccc(cc1)CCBr 20087 [1,1,0,0,0,0|1,0,1]=4 42 B9R1.8 c1ccc(cc1)CCN 14206 [1,1,0,0,0,0|1,0,1]=4 43 B9R1.15 COc1ccccc1O 70430 [1,1,0,0,0,0|2,0,0]=4 44 B9R1.11 c1cc(sc1)\C(=N\O)\N 11061 [0,1,0,0,1,0|2,0,0]=4 45 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 16115 [0,1,0,0,0,1|1,0,0]=3 46 B11R1.20 CC(=O)Nc1ccc(cc1)O 10024 [0,1,0,0,0,1|1,0,0]=3 47 B11R1.36 CC(c1ncccn1)C(=O)O 10007108 [0,1,0,0,0,1|2,0,0]=4 48 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O 10007128 [0,1,0,0,0,1|0,0,0]=2 49 B11R1.509 c1ccc(cc1)CS(=O)(=O)F 14333 [0,1,0,0,0,1|1,0,1]=4 50 B11R1.3 COc1ccc(cc1)C(=S)N 10552 [0,2,0,0,0,0|1,1,0]=4 51 B11R1.21 Cn1cc(ccc1=O)C(=O)N 20507 [0,2,0,0,0,0|2,0,0]=4 52 B11R1.21 c1cc(c(cc1C(=O)O)O)O 14916 [0,2,0,0,0,0|0,0,0]=2 53 B11R1.22 Cc1ccc(cc1)\C(=N\O)\N 13231 [0,2,0,0,0,0|1,0,0]=3 54 B11R1.22 c1cc(ccc1C(=O)CBr)O 19766 [0,2,0,0,0,0|1,0,0]=3 55 B11R1.22 c1cc(ccc1C(=O)NN)N 14845 [0,2,0,0,0,0|1,0,0]=3 56 B11R1.22 c1cc(ccc1C(CN)O)O 14279 [0,2,0,0,0,0|1,0,1]=4 57 B11R1.22 c1cc(ccc1\C(=N\O)\N)N 11053 [0,2,0,0,0,0|1,0,0]=3 58 B11R1.22 c1cc(ncc1\C(=N\O)\N)N 13384 [0,2,0,0,0,0|2,0,0]=4 59 B11R1.7 c1ccc(cc1)S(=O)(=O)NO 10006995 [0,2,0,0,0,0|1,0,0]=3 60 B11R1.12 CCN(c1ccccc1)N=O 21063 [0,2,0,0,0,0|2,0,0]=4 61 B11R1.23 Cc1cccc(c1)\C(=N\O)\N 13057 [0,2,0,0,0,0|1,0,0]=3 62 B11R1.23 c1cc(cc(c1)N)C(=NO)N 11074 [0,2,0,0,0,0|1,0,0]=3 63 B11R1.222 Cc1ccccc1\C(=N\O)\N 13002 [0,2,0,0,0,0|1,0,0]=3 64 B11R1.222 c1ccc(c(c1)\C(=N\O)\N)N 11062 [0,2,0,0,0,0|1,0,0]=3 65 B11R1.156 Cc1cccc(c1C(=O)O)O 19199 [0,2,0,0,0,0|0,0,0]=2 66 B11R1.159 c1cc(c(c(c1)O)N)C(=O)O 20512 [0,2,0,0,0,0|0,0,0]=2 67 B11R1.167 c1cc(c(cc1F)C(=O)O)N 16669 [0,2,0,0,0,0|0,0,0]=2 68 B11R1.167 c1cc(c(cc1N)C(=O)O)O 70265 [0,2,0,0,0,0|0,0,0]=2 69 B11R1.74 c1c(cc(cc1O)Cl)C(=O)O 16795 [0,2,0,0,0,0|0,0,0]=2 70 B11R1.266 COc1cccc(c1)C(=S)N 10553 [0,2,0,0,0,0|1,1,0]=4 71 B11R1.266 [13cH]1[13cH][13c]([13cH][13c]([13cH]1)[N+](=O)[O-])NN 20744 [0,2,0,0,0,0|1,0,1]=4 72 B11R1.91 CC(=N)NCc1ccccc1 13570 [0,0,0,0,0,2|2,0,0]=4 73 B11R1.91 c1cnc(nc1)CCC(=O)O 10007109 [0,0,0,0,0,2|2,0,0]=4