0 B10R1.18 CC(=O)Cc1ccccc1 16103 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.18 CC(=O)Cc1ccccc1 16444 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.18 C[C@@H](Cc1ccccc1)N 14204 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.18 C[C@@H](Cc1ccccc1)N 15650 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.18 c1ccc(cc1)CC(=O)O 18709 [0,0,0,0,0,0|0,0,0]=0 5 B10R1.18 c1cnc(nc1)CC(=O)O 10007116 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.8 c1ccc(cc1)CCBr 20087 [1,0,0,0,0,0|1,0,1]=3 7 B9R1.8 c1ccc(cc1)CCN 14206 [1,0,0,0,0,0|1,0,1]=3 8 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 16115 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.20 CC(=O)Nc1ccc(cc1)O 10024 [0,1,0,0,0,0|2,0,0]=3 10 B11R1.20 CC(Cc1ccc(cc1)Br)N 9001850 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.20 CC(Cc1ccc(cc1)Cl)N 9001856 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.20 CC(Cc1ccc(cc1)F)N 11156 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.20 CC(Cc1ccc(cc1)I)N 9001853 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.20 CC(Cc1ccc(cc1)O)N 9001830 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.36 CC(c1ncccn1)C(=O)O 10007108 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.36 C[C@@H]([C@H](c1ccccc1)O)N 13868 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.36 C[C@H]([C@@H](c1ccccc1)O)N 15975 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.36 C[C@H]([C@H](c1ccccc1)O)N 14212 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O 10007128 [0,1,0,0,0,0|0,0,0]=1 20 B11R1.40 CCC(Cc1ccccc1)N 9001864 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.40 C[C@@H](Cc1ccccc1)NC 13997 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.40 C[C@H](Cc1ccccc1)NC 13998 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.86 CC(Cc1ccccc1Br)N 9001848 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.86 CC(Cc1ccccc1Cl)N 9001854 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.86 CC(Cc1ccccc1F)N 11419 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.86 CC(Cc1ccccc1I)N 9001851 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.157 CC(Cc1cccc(c1)Br)N 9001849 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.157 CC(Cc1cccc(c1)Cl)N 9001855 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.157 CC(Cc1cccc(c1)F)N 9001191 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.157 CC(Cc1cccc(c1)I)N 9001852 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.509 CC(C)(Cc1ccccc1)N 14207 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.509 c1ccc(cc1)CS(=O)(=O)F 14333 [0,1,0,0,0,0|1,0,1]=3 33 B11R2.4 c1ccc(cc1)[C@H]2C[C@@H]2N 10010494 [0,0,0,1,0,0|2,0,1]=4 34 B11R2.10 c1ccc2c(c1)CC(C2)N 11048 [0,0,0,1,0,0|2,0,1]=4 35 B9R1.6 c1cc(cnc1)C(=O)N 11127 [0,0,0,0,1,0|2,0,0]=3 36 B9R1.6 c1ccc(cc1)C(=N)N 20651 [0,0,0,0,1,0|2,0,0]=3 37 B9R1.6 c1ccnc(c1)C(=S)N 13043 [0,0,0,0,1,0|2,1,0]=4 38 B9R1.6 c1cnc(nc1)C(=O)O 10007123 [0,0,0,0,1,0|2,0,0]=3 39 B9R1.6 c1cnccc1C(=S)N 13056 [0,0,0,0,1,0|2,1,0]=4 40 B9R1.6 c1cncnc1C(=O)O 10010564 [0,0,0,0,1,0|2,0,0]=3 41 B9R1.6 c1cncnc1C(=O)[O-] 10007113 [0,0,0,0,1,0|2,0,1]=4 42 B11R1.91 CC(=N)NCc1ccccc1 13570 [0,0,0,0,0,1|2,0,0]=3 43 B11R1.91 c1cnc(nc1)CCC(=O)O 10007109 [0,0,0,0,0,1|2,0,0]=3 44 B8R1.2 c1ccc(cc1)N=O 21009 [2,0,0,0,0,0|1,0,0]=3 45 B8R1.2 c1cnc(nc1)CO 10007112 [2,0,0,0,0,0|2,0,0]=4 46 B8R1.2 c1cncnc1CO 10007111 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.1 c1cc(ccc1CCN)O 18601 [1,1,0,0,0,0|1,0,1]=4 48 B10R1.15 CC(CN)c1ccccc1 17742 [1,1,0,0,0,0|1,0,1]=4 49 B10R1.15 c1ccc(cc1)[C@H](CO)N 10007132 [1,1,0,0,0,0|0,0,1]=3 50 B10R1.15 c1ccc(cc1)\C(=N\O)\N 13230 [1,1,0,0,0,0|1,0,1]=4 51 B10R1.13 Cc1ccc(cc1)C(=S)N 13229 [0,1,0,0,1,0|1,1,0]=4 52 B10R1.13 c1cc(ccc1C(=O)[O-])N 18659 [0,1,0,0,1,0|0,0,1]=3 53 B10R1.13 c1cc(ccc1C(=S)N)N 11063 [0,1,0,0,1,0|1,1,0]=4 54 B10R1.13 c1cc(ncc1C(=O)N)N 10009315 [0,1,0,0,1,0|2,0,0]=4 55 B10R1.61 c1cc(c(nc1)C(=O)O)S 20895 [0,1,0,0,1,0|1,0,0]=3 56 B10R1.61 c1ccc(c(c1)C(=O)O)N 18708 [0,1,0,0,1,0|0,0,0]=2 57 B10R1.61 c1cncc(c1N)C(=O)O 20733 [0,1,0,0,1,0|1,0,0]=3 58 B10R1.113 C[n+]1cccc(c1)C(=O)N 16604 [0,1,0,0,1,0|2,0,0]=4 59 B10R1.113 C[n+]1cccc(c1)C(=O)O 11904 [0,1,0,0,1,0|1,0,0]=3 60 B10R1.113 Cc1cccc(c1)C(=S)N 13228 [0,1,0,0,1,0|1,1,0]=4 61 B10R1.113 c1cc(cc(c1)N)C(=O)N 10397 [0,1,0,0,1,0|1,0,0]=3 62 B10R1.113 c1cc(cc(c1)N)C(=S)N 11064 [0,1,0,0,1,0|1,1,0]=4 63 B10R1.54 Cn1cc(nc1)CC(=O)O 18815 [0,1,0,0,1,0|2,0,0]=4 64 B12R1.21 c1cc(ccc1\C=C\C(=O)O)O 20929 [0,1,0,0,0,1|0,0,1]=3 65 B12R1.43 CC(Cc1ncccn1)C(=O)O 10007118 [0,1,0,0,0,1|2,0,0]=4 66 B12R1.43 c1ccc(cc1)CC(C(=O)O)S 17261 [0,1,0,0,0,1|0,0,0]=2 67 B12R1.226 c1cc(cc(c1)I)CNC(=N)N 19998 [0,1,0,0,0,1|2,0,0]=4 68 B12R1.226 c1cc(cc(c1)I)CNC(=N)N 19998 [0,1,0,0,0,1|2,0,0]=4 69 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 19522 [0,2,0,0,0,0|1,0,0]=3 70 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 19522 [0,2,0,0,0,0|1,0,0]=3 71 B12R1.20 CC(=O)C(c1ccc(cc1)F)N 9001146 [0,2,0,0,0,0|1,0,0]=3 72 B12R1.106 c1cc(ccc1N)OP(=O)(O)[O-] 17293 [0,2,0,0,0,0|2,0,0]=4 73 B12R1.124 CC(=O)C(c1ccccc1F)N 11607 [0,2,0,0,0,0|1,0,0]=3 74 B12R1.478 CC(=O)C(C#N)c1ccccc1 21105 [0,2,0,0,0,0|1,0,0]=3 75 B12R1.32 CC(Cc1ccccc1)NC=O 18597 [0,2,0,0,0,0|1,0,1]=4 76 B12R1.127 c1cc(c(cc1O)CC(=O)O)O 20045 [0,2,0,0,0,0|0,0,0]=2 77 B10R1.66 c1cscc1\C=C\C(=O)O 10007103 [0,0,1,1,0,0|1,0,1]=4 78 B12R2.606 c1cc2c(cc1Cl)[nH]c(=O)o2 18869 [0,1,0,1,0,0|1,0,0]=3 79 B12R2.606 c1cc2c(cc1Cl)nc(o2)N 17565 [0,1,0,1,0,0|2,0,0]=4 80 B12R1.252 c1ccc(cc1)CCCC(=O)[O-] 11323 [0,0,0,0,0,2|0,0,1]=3