0 B10R1.66 CC(=O)OCC1=CC=CO1 HY-W010321 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.66 O=C(O)CCC1=CN=CN1 HY-W045271 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.12 O=C\C=C\C1=CC=CO1 HY-W012845A [1,0,0,0,0,0|0,0,2]=3 3 B11R1.35 NC(CC1=CC=CS1)C(=O)O HY-W141842 [0,1,0,0,0,0|1,1,0]=3 4 B11R1.35 NC(CC1=CN=CN1)C(=O)O HY-W010209 [0,1,0,0,0,0|3,0,0]=4 5 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O HY-I0393 [0,1,0,0,0,0|1,1,0]=3 6 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O HY-N0832 [0,1,0,0,0,0|3,0,0]=4 7 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O HY-N0832R [0,1,0,0,0,0|3,0,0]=4 8 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O HY-N0833 [0,1,0,0,0,0|3,0,0]=4 9 B11R1.35 N[C@H](CC1=CN=CN1)C(=O)O HY-W012572A [0,1,0,0,0,0|3,0,0]=4 10 B11R1.35 O=C(O)[C@@H](O)CC1=CN=CN1 HY-W203728 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.35 [C@H](N)(CC1=CN=CN1)C(=O)O HY-W014423 [0,1,0,0,0,0|3,0,0]=4 12 B9R1.13 O=C(O)CC1=CC=CS1 HY-W001142 [0,0,0,0,1,0|1,1,0]=3 13 B9R1.13 O=C(O)CC1=CN=CN1 HY-113413 [0,0,0,0,1,0|3,0,0]=4 14 B9R1.13 O=C(O)CC1=CN=CN1 HY-W007686 [0,0,0,0,1,0|3,0,0]=4 15 B9R1.13 O=C(O)CC1=CSC=C1 HY-W001140 [0,0,0,0,1,0|3,0,0]=4 16 B11R1.91 CC(=O)CCC1=CC=CC=C1 HY-W015616 [0,0,0,0,0,1|1,0,0]=2 17 B11R1.91 CC(=O)COC1=CC=CC=C1 HY-116792 [0,0,0,0,0,1|2,0,0]=3 18 B11R1.91 CC(=O)NCC1=CC=CC=C1 HY-W052051 [0,0,0,0,0,1|2,0,0]=3 19 B11R1.91 CC(=O)NNC1=CC=CC=C1 HY-W017425 [0,0,0,0,0,1|3,0,0]=4 20 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 HY-W012595A [0,0,0,0,0,1|1,0,2]=4 21 B11R1.91 CC(N)CCC1=CC=CC=C1 HY-21796 [0,0,0,0,0,1|2,0,1]=4 22 B11R1.91 CN(C)CCC1=CC=CC=N1 HY-W013654 [0,0,0,0,0,1|3,0,0]=4 23 B11R1.91 O=C(O)CCC1=CC=CC=C1 HY-Y1088 [0,0,0,0,0,1|2,0,0]=3 24 B11R1.91 O=C(O)CCC1=NC=CC=N1 HY-W128579 [0,0,0,0,0,1|2,0,0]=3 25 B11R1.91 O=C(O)COC1=CC=CC=C1 HY-Y0267 [0,0,0,0,0,1|3,0,0]=4 26 B11R1.172 CC(=O)NCCC1=CN=CN1 HY-112175 [0,0,0,0,0,1|2,0,0]=3 27 B8R0.9 COC(=O)CCC(C)=O HY-N3272 [1,0,1,0,0,0|1,0,1]=4 28 B8R1.8 CCCN1C=CC=N1 HY-Z1093 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.21 CCCCCC1=CC=CO1 HY-N7398 [1,1,0,0,0,0|0,0,1]=3 30 B10R1.23 [C@H](N)(C(=O)O)C1=CC=CS1 HY-W017256 [0,1,0,0,1,0|1,1,0]=4 31 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 HY-N1426R [0,1,0,0,0,1|1,0,0]=3 32 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 HY-W028185 [0,1,0,0,0,1|2,0,0]=4 33 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 HY-W015346 [0,1,0,0,0,1|2,0,0]=4 34 B12R1.27 COC(=O)CCC1=CC=CC=C1 HY-W007828 [0,1,0,0,0,1|1,0,0]=3 35 B12R1.27 NCC(=O)OCC1=CC=CC=C1 HY-W005117 [0,1,0,0,0,1|2,0,0]=4 36 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O HY-B1732 [0,1,0,0,0,1|2,0,0]=4 37 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O HY-B1732R [0,1,0,0,0,1|2,0,0]=4 38 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O HY-N0215 [0,1,0,0,0,1|2,0,0]=4 39 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O HY-N0215R [0,1,0,0,0,1|2,0,0]=4 40 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O HY-W022405 [0,1,0,0,0,1|2,0,0]=4 41 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O HY-Y0079 [0,1,0,0,0,1|2,0,0]=4 42 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O HY-W022404 [0,1,0,0,0,1|2,0,0]=4 43 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 HY-W017162 [0,1,0,0,0,1|2,0,0]=4 44 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 HY-W017162R [0,1,0,0,0,1|2,0,0]=4 45 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 HY-30219 [0,1,0,0,0,1|2,0,0]=4 46 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(=O)O HY-N0215S5 [0,1,0,0,0,1|2,0,0]=4 47 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 HY-W013607 [0,1,0,0,0,1|1,0,1]=4 48 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 HY-W017189 [0,1,0,0,0,1|2,0,0]=4 49 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 HY-W002039 [0,1,0,0,0,1|2,0,0]=4 50 B12R1.125 O=C(O)CCC1=CC=CC=C1O HY-W017158 [0,1,0,0,0,1|2,0,0]=4 51 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 HY-W005255 [0,1,0,0,0,1|2,0,0]=4 52 B12R1.54 O=C(O)CNC(=O)C1=CC=CO1 HY-113340 [0,1,0,0,0,1|1,0,1]=4 53 B12R1.108 COC(=O)[C@@H](N)CC1=CN=CN1 HY-Y0754 [0,2,0,0,0,0|2,0,0]=4 54 B10R1.61 CC(=O)C1=CC=CC=C1O HY-Y1426 [0,0,1,1,0,0|0,0,2]=4 55 B10R1.113 CC(=O)C1=CC=CC(O)=C1 HY-Y0603 [0,0,1,1,0,0|0,0,2]=4 56 B10R2.7 C1=CC2=C(CCNC2)S1 HY-21089 [1,0,0,1,0,0|1,1,0]=4 57 B12R2.24 O=C1CCC2=CC=CC=C2N1 HY-W002108 [0,0,0,1,0,1|2,0,0]=4 58 B12R2.24 O=C1CCC2=CC=CC=C2O1 HY-N1926 [0,0,0,1,0,1|2,0,0]=4 59 B8R1.7 CC(=O)C1=CC=CO1 HY-W015912 [0,0,0,0,2,0|0,0,0]=2 60 B8R1.7 CC(=O)C1=CC=CS1 HY-20585 [0,0,0,0,2,0|0,1,0]=3 61 B8R1.7 CC(=O)C1=CSC=C1 HY-W007361 [0,0,0,0,2,0|2,0,0]=4 62 B8R1.7 CC(=O)C1=NC=CS1 HY-Y0045 [0,0,0,0,2,0|1,1,0]=4 63 B8R1.7 O=C(O)C1=CC=CO1 HY-W012946 [0,0,0,0,2,0|1,0,0]=3 64 B10R1.17 CNCCC1=CC=CC=C1 HY-30170 [1,0,0,0,0,1|2,0,0]=4 65 B10R1.17 CNCCC1=CC=CC=N1 HY-B0524A [1,0,0,0,0,1|2,0,0]=4 66 B10R1.17 CNCCC1=NC=CC=C1 HY-B0524 [1,0,0,0,0,1|2,0,0]=4 67 B10R1.17 CNCCC1=NC=CC=C1 HY-D0237 [1,0,0,0,0,1|2,0,0]=4 68 B12R1.252 CC(=O)CCCC1=CC=CC=C1 HY-145613 [0,0,0,0,0,2|1,0,0]=3 69 B12R1.252 CC(=O)OCCC1=CC=CC=C1 HY-W102356 [0,0,0,0,0,2|1,0,0]=3 70 B12R1.252 O=C(O)CCCC1=CC=CC=C1 HY-A0281 [0,0,0,0,0,2|2,0,0]=4 71 B12R1.252 O=C(O)CNCC1=CC=CC=C1 HY-W015359 [0,0,0,0,0,2|2,0,0]=4 72 B12R1.252 O=C(O)CNCC1=CC=CC=C1 HY-Y0735 [0,0,0,0,0,2|2,0,0]=4