0 B8R1.2 ClCC1=CC=CC=N1 HY-W007502 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.2 NCC1=NC=NC=C1 HY-W017769 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.2 OCC1=NC=CC=N1 HY-78975 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.2 OCC1=NC=NC=C1 HY-W017825 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.3 ClC1=CC=NC=C1 HY-Y0178 [1,0,0,0,0,0|3,0,0]=4 5 B7R1.3 OC1=CC=NC=C1 HY-W007690 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.1 OCC1=CC=C(O)C=C1 HY-Y0892R [0,1,0,0,0,0|3,0,0]=4 7 B9R1.2 OCC1=CC=CC(O)=C1 HY-78446 [0,1,0,0,0,0|3,0,0]=4 8 B9R1.6 CC(=O)[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 HY-W782153 [0,1,0,0,0,0|2,0,0]=3 9 B9R1.6 NC(=O)C1=NC=CN=C1 HY-B0271R [0,1,0,0,0,0|3,0,0]=4 10 B9R1.6 NC(=S)C1=NC=CN=C1 HY-W129661 [0,1,0,0,0,0|3,0,0]=4 11 B9R1.6 [13CH3]C(=O)C1=CC=CC=C1 HY-Y0989S3 [0,1,0,0,0,0|2,0,0]=3 12 B9R1.8 NCCC1=CC=CC=N1 HY-107565 [0,1,0,0,0,0|1,0,0]=2 13 B9R1.8 OCCC1=CC=CC=C1 HY-B1290R [0,1,0,0,0,0|2,0,0]=3 14 B9R1.8 [Y]OCC1=CC=CC=C1 HY-P1453A [0,1,0,0,0,0|2,0,0]=3 15 B9R1.15 CC1=C([13CH]=O)C=CC=C1 HY-Y0442S [0,1,0,0,0,0|3,0,0]=4 16 B7R0.3 CCC(=O)\C=C\C=O HY-N12851 [0,0,1,0,0,0|3,0,0]=4 17 B7R1.1 O=CC1=CC=CN1 HY-77817 [0,0,0,0,1,0|2,0,1]=4 18 B7R1.1 O=CC1=COC=C1 HY-76224 [0,0,0,0,1,0|3,0,0]=4 19 B8R1.3 ClC1=NC=C(Br)C=N1 HY-76897 [1,1,0,0,0,0|2,0,0]=4 20 B8R1.3 FC1=CN=C(Br)C=C1 HY-32748 [1,1,0,0,0,0|1,0,0]=3 21 B8R1.3 NC1=NC=C(F)C=C1 HY-Y0107 [1,1,0,0,0,0|1,0,0]=3 22 B8R1.4 CC1=CC(Br)=NC=C1 HY-W007579 [1,1,0,0,0,0|1,0,0]=3 23 B8R1.4 ClC1=CN=CC(Cl)=N1 HY-W010260 [1,1,0,0,0,0|2,0,0]=4 24 B8R1.4 FC1=CC=CC(F)=N1 HY-W012911 [1,1,0,0,0,0|1,0,0]=3 25 B8R1.4 NC1=NC(=O)NC=C1 HY-I0626R [1,1,0,0,0,0|1,0,1]=4 26 B8R1.5 NC1=C(O)C=NC=C1 HY-W008188 [1,1,0,0,0,0|2,0,0]=4 27 B8R1.5 OC1=NC=CC=C1Br HY-W003045 [1,1,0,0,0,0|0,0,0]=2 28 B8R1.7 CC(=O)C1=CC=CN1 HY-W012956 [0,1,0,0,1,0|1,0,1]=4 29 B8R1.8 NCCC1=NNC=C1 HY-B1557 [0,1,0,0,1,0|2,0,0]=4 30 B10R1.176 CCC1=CC=C(O)C(O)=C1 HY-W265757 [0,2,0,0,0,0|2,0,0]=4 31 B10R1.176 COC1=CC=C(O)C(N)=C1 HY-W001213 [0,2,0,0,0,0|1,0,0]=3 32 B10R1.2 CC1=C(Cl)C=CN=C1CCl HY-Z3866 [0,2,0,0,0,0|2,0,0]=4 33 B10R1.2 COC1=CC=CC(O)=C1O HY-W116576 [0,2,0,0,0,0|1,0,0]=3 34 B10R1.8 COC1=CC(O)=CC(O)=C1 HY-W015752 [0,2,0,0,0,0|1,0,0]=3 35 B10R1.8 CSC1=NC(Cl)=CC(Cl)=N1 HY-41832 [0,2,0,0,0,0|1,1,0]=4 36 B10R1.30 COC1=C(Cl)C=CC(Br)=C1 HY-W012416 [0,2,0,0,0,0|1,0,0]=3 37 B10R1.30 COC1=C(O)C=CC(O)=C1 HY-W013675 [0,2,0,0,0,0|1,0,0]=3 38 B10R1.113 CC(N)C1=CC(O)=CC=C1 HY-70031 [0,2,0,0,0,0|2,0,0]=4 39 B10R1.15 CNC(=O)C1=NC=CC=C1 HY-Z4481 [0,2,0,0,0,0|1,0,0]=3 40 B10R1.15 COC(=O)C1=CC=CN=C1 HY-B1695 [0,2,0,0,0,0|2,0,0]=4 41 B10R1.15 COC(=O)C1=CC=NC=N1 HY-W043311 [0,2,0,0,0,0|1,0,0]=3 42 B10R1.15 C[C@H](CN)C1=CC=CC=C1 HY-W655727 [0,2,0,0,0,0|2,0,0]=4 43 B10R1.15 N[C@H](CO)C1=CC=CC=C1 HY-41414 [0,2,0,0,0,0|2,0,0]=4 44 B10R1.15 O=C(CO)C1=CC=CC=C1 HY-W002198 [0,2,0,0,0,0|2,0,0]=4 45 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 HY-W012450 [0,2,0,0,0,0|2,0,0]=4 46 B10R1.61 CC(=O)C1=CC=CC=C1C HY-W012658 [0,2,0,0,0,0|2,0,0]=4 47 B10R1.61 CC(=O)C1=CC=CC=C1N HY-I0501 [0,2,0,0,0,0|2,0,0]=4 48 B10R1.61 O=C(O)C1=NC=CC=C1S HY-128923 [0,2,0,0,0,0|2,0,0]=4 49 B10R1.17 CCOCC1=CC=CC=C1 HY-W017613 [0,2,0,0,0,0|1,0,0]=3 50 B10R1.17 NNCCC1=CC=CC=C1 HY-B1018A [0,2,0,0,0,0|2,0,0]=4 51 B10R1.17 OC\C=C\C1=CC=CC=C1 HY-Y0078R [0,2,0,0,0,0|2,0,0]=4 52 B10R1.245 COC1=C(C)N=CC=C1Cl HY-W059074 [0,2,0,0,0,0|2,0,0]=4 53 B10R2.7 C1=CC2=C(C=C1)NCC2 HY-Y0788 [0,1,0,1,0,0|2,0,0]=4 54 B6R1.2 CC1=CNN=C1 HY-B0876 [1,0,0,0,1,0|2,0,0]=4