0 B10R1.15 CNC(=O)C1=NC=CC=C1 HY-Z4481 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.15 COC(=O)C1=CC=CN=C1 HY-B1695 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.15 COC(=O)C1=CC=NC=N1 HY-W043311 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.15 COC(=O)C1=CCCNC1 HY-116490 [0,0,0,0,0,0|1,0,3]=4 4 B10R1.15 COC(=O)C1=CCCNC1 HY-N5016 [0,0,0,0,0,0|1,0,3]=4 5 B10R1.15 C[C@H](CN)C1=CC=CC=C1 HY-W655727 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.15 NNC(=S)C1=CC=CC=C1 HY-129943 [0,0,0,0,0,0|2,1,0]=3 7 B10R1.15 N[C@H](CO)C1=CC=CC=C1 HY-41414 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.15 O=C(CO)C1=CC=CC=C1 HY-W002198 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.6 CC(=O)[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 HY-W782153 [1,0,0,0,0,0|0,0,0]=1 10 B9R1.6 N=C(N)C1=CN=CC=C1 HY-W002264 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.6 NC(=O)C1=NC=CN=C1 HY-B0271R [1,0,0,0,0,0|3,0,0]=4 12 B9R1.6 [13CH3]C(=O)C1=CC=CC=C1 HY-Y0989S3 [1,0,0,0,0,0|0,0,0]=1 13 B9R1.8 OCCC1=CC=CC=C1 HY-B1290R [1,0,0,0,0,0|2,0,1]=4 14 B9R1.8 [Y]OCC1=CC=CC=C1 HY-P1453A [1,0,0,0,0,0|1,0,1]=3 15 B11R1.22 N=C(NO)C1=CC=C(N)C=C1 HY-135200 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.22 NC1=CC=C(C(=O)O[K])C=C1 HY-B1008A [0,1,0,0,0,0|1,0,0]=2 17 B11R2.1 O=C1COC2=C1C=CC=C2 HY-W001165 [0,0,0,1,0,0|2,0,0]=3 18 B9R1.11 COC(=O)C1=NNC=N1 HY-W007685 [0,0,0,0,1,0|3,0,0]=4 19 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 HY-78700 [1,1,0,0,0,0|0,0,0]=2 20 B10R1.13 O=C(O)C1=CC=C(O)N=C1 HY-W001996R [1,1,0,0,0,0|1,0,0]=3 21 B10R1.13 O=C(O)[13C]1=[13CH][13CH]=[13C](O)[13CH]=[13CH]1 HY-Y0264S [1,1,0,0,0,0|0,0,0]=2 22 B10R1.13 O=[13C](O)C1=CC=C(O)C=C1 HY-Y0264S2 [1,1,0,0,0,0|0,0,0]=2 23 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 HY-W012450 [1,1,0,0,0,0|2,0,0]=4 24 B10R1.28 [2H]C([2H])(O)C1=CC=CC=C1 HY-W450789S [1,1,0,0,0,0|1,0,1]=4 25 B10R1.61 CC(=O)C1=CC=CC=C1C HY-W012658 [1,1,0,0,0,0|0,0,0]=2 26 B10R1.61 CC(=O)C1=CC=CC=C1N HY-I0501 [1,1,0,0,0,0|0,0,0]=2 27 B10R1.61 CC1=C([13C](=O)O)C=CC=C1 HY-41494S1 [1,1,0,0,0,0|0,0,0]=2 28 B10R1.61 O=C(O)C1=NC=CC=C1S HY-128923 [1,1,0,0,0,0|1,0,0]=3 29 B10R1.113 CC(N)C1=CC(O)=CC=C1 HY-70031 [1,1,0,0,0,0|1,0,1]=4 30 B10R1.113 C[N+]1=CC(C(=O)[O-])=CC=C1 HY-N0414 [1,1,0,0,0,0|1,0,1]=4 31 B10R1.113 C[N+]1=CC(C(=O)[O-])=CC=C1 HY-N0414R [1,1,0,0,0,0|1,0,1]=4 32 B10R1.113 NC(=S)C1=CC(N)=CC=C1 HY-W128619 [1,1,0,0,0,0|1,1,0]=4 33 B10R1.113 O=C(O)C1=CC(Cl)=NC=N1 HY-W005983 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 HY-Y0188 [1,1,0,0,0,0|0,0,0]=2 35 B10R1.17 CCOCC1=CC=CC=C1 HY-W017613 [1,1,0,0,0,0|0,0,1]=3 36 B10R1.17 OC\C=C\C1=CC=CC=C1 HY-Y0078R [1,1,0,0,0,0|1,0,0]=3 37 B10R1.14 COC(=O)C1=CC(Br)=CN1 HY-W007392 [0,1,0,0,1,0|1,0,0]=3 38 B12R1.43 C=C(C)C(=O)OC1=CC=CC=C1 HY-W017213 [0,1,0,0,0,1|1,0,0]=3 39 B12R1.308 NCCC(=O)C1=C(N)C=CC=C1 HY-119395B [0,2,0,0,0,0|1,0,0]=3 40 B12R1.20 CC(Br)C(=O)C1=CC=C(O)C=C1 HY-Z1044 [0,2,0,0,0,0|1,0,0]=3 41 B12R1.367 COC(=O)C1=CC(N)=C(C)C=C1 HY-W010106 [0,2,0,0,0,0|0,0,0]=2 42 B12R1.358 CNC(=O)C1=NC(Cl)=CC(Cl)=C1 HY-Z3477 [0,2,0,0,0,0|2,0,0]=4 43 B12R1.564 [2H]C([2H])([2H])C(=O)C1=CC=CC=C1 HY-Y0989S4 [0,2,0,0,0,0|2,0,0]=4 44 B12R1.77 COC(=O)C1=CC=CC=C1OC HY-Z0453 [0,2,0,0,0,0|0,0,0]=2 45 B10R2.7 C1=CC2=C(C=C1)NCC2 HY-Y0788 [1,0,0,1,0,0|2,0,0]=4 46 B12R2.18 CC1C2=CC=CC=C2N=C1O HY-W017490 [0,0,0,1,0,1|1,0,1]=4 47 B12R2.24 O=C1C=CC2=CC=CC=C2N1 HY-W005598 [0,0,0,1,0,1|1,0,1]=4 48 B12R2.24 O=C1C=CC2=CC=CC=C2O1 HY-N0709R [0,0,0,1,0,1|1,0,1]=4 49 B12R2.2 C1=CC(C2=NCCO2)=CN=C1 HY-W104177 [0,1,0,1,0,0|2,0,0]=4 50 B12R2.1081 O=C1NC=NC2=C1C=CC=C2 HY-W018800 [0,1,0,1,0,0|1,0,1]=4 51 B8R1.7 CC(=O)C1=CC=CN1 HY-W012956 [1,0,0,0,1,0|1,0,0]=3 52 B8R1.7 O=C(O)C1=CC=CN1 HY-W001963 [1,0,0,0,1,0|1,0,0]=3 53 B8R1.7 O=C(O)C1=CNN=C1 HY-W002065 [1,0,0,0,1,0|2,0,0]=4 54 B12R1.27 NCC(=O)OCC1=CC=CC=C1 HY-W011200 [0,0,0,0,0,2|2,0,0]=4