0 B8R1.2 c1ccc(cc1)N=O 21009 [0,0,0,0,0,0|1,0,1]=2 1 B8R1.2 c1cnc(nc1)C#N 10007121 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.2 c1cnc(nc1)CCl 10007122 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.2 c1cnc(nc1)CN 10007106 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.2 c1cnc(nc1)CO 10007112 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.2 c1cncnc1CN 10007124 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.2 c1cncnc1CO 10007111 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.3 c1cnc(cn1)N 10007093 [1,0,0,0,0,0|3,0,0]=4 8 B7R1.3 c1cnccc1N 18511 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.6 c1cc(cnc1)C(=O)N 11127 [0,1,0,0,0,0|1,0,2]=4 10 B9R1.6 c1ccc(cc1)C(=N)N 20651 [0,1,0,0,0,0|1,0,1]=3 11 B9R1.6 c1ccnc(c1)C(=S)N 13043 [0,1,0,0,0,0|1,1,1]=4 12 B9R1.6 c1cnc(nc1)C(=O)O 10007123 [0,1,0,0,0,0|2,0,1]=4 13 B9R1.6 c1cnccc1C(=S)N 13056 [0,1,0,0,0,0|1,1,1]=4 14 B9R1.6 c1cncnc1C(=O)O 10010564 [0,1,0,0,0,0|2,0,1]=4 15 B9R1.8 c1ccc(cc1)CCBr 20087 [0,1,0,0,0,0|1,0,0]=2 16 B9R1.8 c1ccc(cc1)CCN 14206 [0,1,0,0,0,0|1,0,0]=2 17 B9R1.15 COc1ccccc1O 70430 [0,1,0,0,0,0|2,0,0]=3 18 B10R1.1 c1cc(ccc1CCN)O 18601 [0,2,0,0,0,0|1,0,0]=3 19 B10R1.13 Cc1ccc(cc1)C(=S)N 13229 [0,2,0,0,0,0|0,1,1]=4 20 B10R1.13 c1cc(ccc1C(=O)[O-])N 18659 [0,2,0,0,0,0|0,0,2]=4 21 B10R1.13 c1cc(ccc1C(=S)N)N 11063 [0,2,0,0,0,0|0,1,1]=4 22 B10R1.25 c1c(c(=O)[nH]c(=O)[nH]1)CO 89360 [0,2,0,0,0,0|2,0,0]=4 23 B10R1.113 C[n+]1cccc(c1)C(=O)O 11904 [0,2,0,0,0,0|1,0,1]=4 24 B10R1.113 Cc1cccc(c1)C(=S)N 13228 [0,2,0,0,0,0|0,1,1]=4 25 B10R1.113 c1cc(cc(c1)N)C(=O)N 10397 [0,2,0,0,0,0|0,0,2]=4 26 B10R1.113 c1cc(cc(c1)N)C(=S)N 11064 [0,2,0,0,0,0|0,1,1]=4 27 B10R1.15 CC(CN)c1ccccc1 17742 [0,2,0,0,0,0|1,0,0]=3 28 B10R1.15 c1cc(cnc1)\C(=N\O)\N 13004 [0,2,0,0,0,0|1,0,1]=4 29 B10R1.15 c1ccc(cc1)[C@H](CO)N 10007132 [0,2,0,0,0,0|0,0,0]=2 30 B10R1.15 c1ccc(cc1)\C(=N\O)\N 13230 [0,2,0,0,0,0|0,0,1]=3 31 B10R1.15 c1ccnc(c1)\C(=N\O)\N 13003 [0,2,0,0,0,0|1,0,1]=4 32 B10R1.15 c1cnccc1\C(=N\O)\N 13005 [0,2,0,0,0,0|1,0,1]=4 33 B10R1.61 c1cc(c(nc1)C(=O)O)S 20895 [0,2,0,0,0,0|1,0,1]=4 34 B10R1.61 c1ccc(c(c1)C(=O)O)N 18708 [0,2,0,0,0,0|0,0,1]=3 35 B10R1.61 c1cncc(c1N)C(=O)O 20733 [0,2,0,0,0,0|1,0,1]=4 36 B10R1.18 CC(=O)Cc1ccccc1 16103 [0,2,0,0,0,0|0,0,1]=3 37 B10R1.18 CC(=O)Cc1ccccc1 16444 [0,2,0,0,0,0|0,0,1]=3 38 B10R1.18 C[C@@H](Cc1ccccc1)N 14204 [0,2,0,0,0,0|1,0,0]=3 39 B10R1.18 C[C@@H](Cc1ccccc1)N 15650 [0,2,0,0,0,0|1,0,0]=3 40 B10R1.18 c1ccc(cc1)CC(=O)O 18709 [0,2,0,0,0,0|0,0,0]=2 41 B10R1.18 c1cnc(nc1)CC(=O)O 10007116 [0,2,0,0,0,0|2,0,0]=4 42 B6R1.2 Cc1c[nH]nc1 17851 [1,0,0,0,1,0|2,0,0]=4