0 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 HY-78700 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.13 O=C(O)C1=CC=C(O)N=C1 HY-W001996R [0,0,0,0,0,0|1,0,0]=1 2 B10R1.13 O=C(O)[13C]1=[13CH][13CH]=[13C](O)[13CH]=[13CH]1 HY-Y0264S [0,0,0,0,0,0|0,0,0]=0 3 B10R1.13 O=[13C](O)C1=CC=C(O)C=C1 HY-Y0264S2 [0,0,0,0,0,0|0,0,0]=0 4 B9R1.1 OCC1=CC=C(O)C=C1 HY-Y0892R [1,0,0,0,0,0|0,0,1]=2 5 B9R1.6 CC(=O)[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 HY-W782153 [1,0,0,0,0,0|1,0,0]=2 6 B9R1.6 N=C(N)C1=CN=CC=C1 HY-W002264 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.6 NC(=O)C1=NC=CN=C1 HY-B0271R [1,0,0,0,0,0|3,0,0]=4 8 B9R1.6 [13CH3]C(=O)C1=CC=CC=C1 HY-Y0989S3 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.3 COC1=CC=C(B(O)O)C=C1 HY-W002177 [0,1,0,0,0,0|1,0,1]=3 10 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 HY-W100403 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.21 O=C(O)C1=CC=C(Br)C(O)=C1 HY-W003445 [0,1,0,0,0,0|1,0,0]=2 12 B11R1.21 O=[N+]([O-])C1=CC=C(O)C(Cl)=C1 HY-Y0510 [0,1,0,0,0,0|1,0,1]=3 13 B11R1.22 N=C(NO)C1=CC=C(N)C=C1 HY-135200 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.22 NC1=CC=C(C(=O)O[K])C=C1 HY-B1008A [0,1,0,0,0,0|1,0,0]=2 15 B11R1.166 O=C(O)C1=CNC(=S)NC1=O HY-W052750 [0,1,0,0,0,0|2,1,0]=4 16 B9R1.35 CC1=CC(C(=O)O)=NN1 HY-33009 [0,0,0,0,1,0|3,0,0]=4 17 B11R1.20 CC(N)CC1=CC=C(O)C=C1 HY-B1098 [0,0,0,0,0,1|2,0,1]=4 18 B11R1.20 [13CH3][13C](=O)[15NH]C1=CC=C(O)C=C1 HY-66005S4 [0,0,0,0,0,1|1,0,0]=2 19 B10R1.1 O=CCC1=CC=C(O)C=C1 HY-W614925 [1,1,0,0,0,0|0,0,0]=2 20 B10R1.1 [N-]=[N+]=NC1=CC=C(O)C=C1 HY-W178441 [1,1,0,0,0,0|2,0,0]=4 21 B10R1.176 CCC1=CC=C(O)C(O)=C1 HY-W265757 [1,1,0,0,0,0|1,0,1]=4 22 B10R1.176 COC1=CC=C(O)C(N)=C1 HY-W001213 [1,1,0,0,0,0|2,0,0]=4 23 B10R1.15 CNC(=O)C1=NC=CC=C1 HY-Z4481 [1,1,0,0,0,0|2,0,0]=4 24 B10R1.15 COC(=O)C1=CC=CN=C1 HY-B1695 [1,1,0,0,0,0|1,0,0]=3 25 B10R1.15 COC(=O)C1=CC=NC=N1 HY-W043311 [1,1,0,0,0,0|2,0,0]=4 26 B10R1.15 NNC(=S)C1=CC=CC=C1 HY-129943 [1,1,0,0,0,0|1,1,0]=4 27 B10R1.15 N[C@H](CO)C1=CC=CC=C1 HY-41414 [1,1,0,0,0,0|1,0,1]=4 28 B10R1.15 O=C(CO)C1=CC=CC=C1 HY-W002198 [1,1,0,0,0,0|0,0,0]=2 29 B10R1.28 [2H]C([2H])(O)C1=CC=CC=C1 HY-W450789S [1,1,0,0,0,0|1,0,1]=4 30 B10R1.61 CC(=O)C1=CC=CC=C1C HY-W012658 [1,1,0,0,0,0|1,0,0]=3 31 B10R1.61 CC(=O)C1=CC=CC=C1N HY-I0501 [1,1,0,0,0,0|1,0,0]=3 32 B10R1.61 CC1=C([13C](=O)O)C=CC=C1 HY-41494S1 [1,1,0,0,0,0|0,0,0]=2 33 B10R1.61 O=C(O)C1=NC=CC=C1S HY-128923 [1,1,0,0,0,0|1,0,0]=3 34 B10R1.113 C[N+]1=CC(C(=O)[O-])=CC=C1 HY-N0414 [1,1,0,0,0,0|1,0,1]=4 35 B10R1.113 C[N+]1=CC(C(=O)[O-])=CC=C1 HY-N0414R [1,1,0,0,0,0|1,0,1]=4 36 B10R1.113 NC(=S)C1=CC(N)=CC=C1 HY-W128619 [1,1,0,0,0,0|1,1,0]=4 37 B10R1.113 O=C(O)C1=CC(Cl)=NC=N1 HY-W005983 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 HY-Y0188 [1,1,0,0,0,0|0,0,0]=2 39 B10R1.14 COC(=O)C1=CC(Br)=CN1 HY-W007392 [0,1,0,0,1,0|2,0,0]=4 40 B12R1.19 CC(=O)NC1=CC=C(C)C(F)=C1 HY-44481 [0,1,0,0,0,1|2,0,0]=4 41 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 HY-W042008 [0,1,0,0,0,1|1,0,0]=3 42 B12R1.106 CC1=CC=C(OS(=O)(=O)O)C=C1 HY-111431 [0,1,0,0,0,1|2,0,0]=4 43 B12R1.113 NOCC1=CC=C([N+](=O)[O-])C=C1 HY-W012469 [0,2,0,0,0,0|1,0,1]=4 44 B12R1.56 O=CC1=CC([N+](=O)[O-])=CC=C1O HY-75887 [0,2,0,0,0,0|1,0,1]=4 45 B12R1.367 COC(=O)C1=CC(N)=C(C)C=C1 HY-W010106 [0,2,0,0,0,0|1,0,0]=3 46 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 HY-13715 [0,2,0,0,0,0|1,0,1]=4 47 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 HY-13715R [0,2,0,0,0,0|1,0,1]=4 48 B12R1.367 OCC(O)C1=CC(O)=C(O)C=C1 HY-W010066 [0,2,0,0,0,0|0,0,2]=4 49 B12R1.367 [C@@H](O)(CN)C1=CC(O)=C(O)C=C1 HY-W009184 [0,2,0,0,0,0|1,0,1]=4 50 B12R1.893 O=C(O)C1=C(F)C(Cl)=C(F)C=C1 HY-W015082 [0,2,0,0,0,0|1,0,0]=3 51 B12R1.1005 O=C(O)C1=CC(O)=C(O)C(O)=C1 HY-N0523R [0,2,0,0,0,0|0,0,0]=2 52 B8R0.23 [13CH2]=[13C]([13CH2][13C](=O)O)[13C](=O)O HY-Y0520S [0,0,1,0,1,0|1,0,1]=4 53 B8R1.7 CC(=O)C1=CC=CN1 HY-W012956 [1,0,0,0,1,0|2,0,0]=4 54 B8R1.7 O=C(O)C1=CC=CN1 HY-W001963 [1,0,0,0,1,0|1,0,0]=3 55 B8R1.7 O=C(O)C1=CNN=C1 HY-W002065 [1,0,0,0,1,0|2,0,0]=4 56 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 HY-N1426 [0,0,0,0,0,2|1,0,0]=3 57 B12R1.21 NC(=O)\C=C\C1=CC=C(O)C=C1 HY-N1901 [0,0,0,0,0,2|1,0,0]=3 58 B12R1.21 O=C(O)\C=C/C1=CC=C(O)C=C1 HY-N0351A [0,0,0,0,0,2|0,0,0]=2