0 B10R1.119 CC1=C(C)C(C)=C(C)C=C1 HY-W006416 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.119 CC1=C(O)C(=O)C=CN1C HY-B0568 [0,0,0,0,0,0|0,0,0]=0 2 B10R1.119 CC1=C(O)C(=O)C=CN1C HY-B0568R [0,0,0,0,0,0|0,0,0]=0 3 B10R1.119 CN1C=CC(=O)N(C)C1=O HY-W008343 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.119 OC1=CC=C(F)C(O)=C1F HY-124472 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.3 CC1=C(Br)C=CC=C1N HY-50097 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.3 CC1=C(O)C(=O)C=CO1 HY-W012788 [1,0,0,0,0,0|1,0,0]=2 7 B9R1.3 CC1=C(O)C(O)=CC=C1 HY-W012815 [1,0,0,0,0,0|1,0,1]=3 8 B9R1.3 OC1=C(Br)C=CC=C1Br HY-Y1667 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.3 OC1=CC=CC(F)=C1O HY-W007482 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.3 OC1=CC=CC(O)=C1O HY-N1579 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.3 OC1=CC=CC(O)=C1O HY-N1579R [1,0,0,0,0,0|2,0,1]=4 12 B9R1.69 CC1=CC(Br)=C(O)C=C1 HY-W016153 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.69 CC1=CC(O)=C(O)C=C1 HY-W012814 [1,0,0,0,0,0|1,0,1]=3 14 B9R1.69 CC1=CC(O)=CC=C1N HY-W012824 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.69 CC1=CC(O)=CC=C1O HY-W012817 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.69 NC1=C(O)C=C(F)C=C1 HY-W007345 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.69 OC1=CC=C(Cl)C(O)=C1 HY-W015658 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.69 OC1=CC=C(Cl)C=C1O HY-133597 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.69 OC1=CC=C(F)C(O)=C1 HY-W003112 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.69 OC1=CC=C(O)C(O)=C1 HY-W010451 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.32 CC1=C(O)C(C)=C(C)C(O)=C1 HY-W017378 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.278 CC1=NC=C(CO)C(C)=C1O HY-W015210 [0,1,0,0,0,0|3,0,0]=4 23 B8R1.4 CC1=CC(Br)=CC=N1 HY-W007447 [2,0,0,0,0,0|1,0,1]=4 24 B8R1.4 NC1=NC(=O)C=CN1 HY-W002272 [2,0,0,0,0,0|2,0,0]=4 25 B8R1.4 O=C1C=C(O)C=CN1 HY-Y0426 [2,0,0,0,0,0|1,0,1]=4 26 B8R1.4 O=C1C=CNC(=O)N1 HY-I0960 [2,0,0,0,0,0|2,0,0]=4 27 B8R1.4 O=C1C=CNC(=O)N1 HY-I0960R [2,0,0,0,0,0|2,0,0]=4 28 B8R1.4 O=C1C=CNC(=S)N1 HY-B0503 [2,0,0,0,0,0|2,0,0]=4 29 B8R1.4 O=[13C]1[13CH]=[13CH][15NH][13C](=O)[15NH]1 HY-I0960S3 [2,0,0,0,0,0|2,0,0]=4 30 B8R1.4 OC1=CC=CC(I)=C1 HY-W007364 [2,0,0,0,0,0|2,0,0]=4 31 B8R1.5 CC1=NC=CC=C1Br HY-W002494 [2,0,0,0,0,0|1,0,1]=4 32 B8R1.5 CC1=NC=CC=C1O HY-W002339 [2,0,0,0,0,0|0,0,1]=3 33 B8R1.5 NC1=C(O)C=CC=N1 HY-W007794 [2,0,0,0,0,0|1,0,1]=4 34 B8R1.5 O=C1C=COC=C1O HY-N1997 [2,0,0,0,0,0|1,0,0]=3 35 B8R1.5 OC1=C(F)C=CC=C1 HY-41755 [2,0,0,0,0,0|2,0,0]=4 36 B8R1.5 OC1=CC=CN=C1Br HY-20026 [2,0,0,0,0,0|1,0,1]=4 37 B8R1.5 OC1=CC=CN=C1Cl HY-32833 [2,0,0,0,0,0|1,0,1]=4 38 B8R1.5 ON1C=CC=CC1=S HY-B1747 [2,0,0,0,0,0|2,0,0]=4 39 B8R1.3 CC1=CNC(=O)C=C1 HY-W010566 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.2 CC1=C(O)C(C=O)=CC=C1 HY-W007934 [1,1,0,0,0,0|1,0,0]=3 41 B10R1.2 CCC1=C(O)C(=O)C=CO1 HY-W010320 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.2 CCC1=C(O)C(=O)C=CO1 HY-W010320R [1,1,0,0,0,0|1,0,0]=3 43 B10R1.2 CCC1=CC=CC(C)=C1O HY-W089538 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.22 CC1=CC(C)=C(C)C(O)=C1 HY-W015812 [1,1,0,0,0,0|1,0,0]=3 45 B10R1.22 CC1=CC(C)=C(O)C(C)=C1 HY-W038786 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.22 CC1=CC(O)=CC(C)=C1O HY-W004874 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.25 CC1=CC=C(C=O)C(O)=C1 HY-W007888 [1,1,0,0,0,0|1,0,0]=3 48 B10R1.25 O=CC1=CC=C(Br)C=C1O HY-W001114 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.25 O=CC1=CC=C(O)C=C1O HY-W007539 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.30 COC1=CC(C)=CC=C1O HY-W040971 [1,1,0,0,0,0|1,0,1]=4 51 B10R1.118 CC1=CC(=O)C(C)=CC1=O HY-W090317 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.118 O=C1C=C(O)C(=O)C=C1O HY-W010323 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.176 NCC1=CC(O)=C(O)C=C1 HY-N3023 [1,1,0,0,0,0|1,0,1]=4 54 B8R1.50 CC1=C(O)C(=O)CO1 HY-W012927 [1,0,0,0,1,0|1,0,1]=4 55 B8R1.18 CC1=CC(C)=NN1C HY-N7086 [1,0,0,0,1,0|2,0,0]=4