0 B8R0.28 CC(=O)CCC=C(C)C HY-W010435 [0,0,0,0,0,0|0,0,2]=2 1 B8R0.28 CC(=O)O[PbH2]OC(C)=O HY-W115728 [0,0,0,0,0,0|4,0,0]=4 2 B8R0.28 O=C(O)\C=C\CC(=O)O HY-W073501 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.28 O=C(O)\C=C\CC(=O)O HY-W073501A [0,0,0,0,0,0|3,0,1]=4 4 B7R0.4 CCC\C=C\C(=O)O HY-W010531 [1,0,0,0,0,0|1,0,2]=4 5 B7R0.4 CC\C=C\CC(=O)O HY-W010532 [1,0,0,0,0,0|1,0,2]=4 6 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626 [1,0,0,0,0,0|1,0,0]=2 7 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626R [1,0,0,0,0,0|1,0,0]=2 8 B7R0.4 C\C=C\C=C\C(=O)[O-] HY-N0626A [1,0,0,0,0,0|1,0,0]=2 9 B7R0.4 C\C=C\C=C\C(=O)[O-] HY-N0626AR [1,0,0,0,0,0|1,0,0]=2 10 B9R1.35 CC(=O)C1=CC=C(C)S1 HY-W002097 [0,0,0,1,0,0|1,0,0]=2 11 B9R1.35 CN1C=CC(C(=O)O)=N1 HY-34603 [0,0,0,1,0,0|3,0,0]=4 12 B9R1.35 O=C(O)C1=CC=C(Br)S1 HY-30133 [0,0,0,1,0,0|3,0,0]=4 13 B9R1.35 O=C(O)C1=CC=C(Cl)S1 HY-76835 [0,0,0,1,0,0|3,0,0]=4 14 B7R0.6 C(C(=O)O)=CC(=O)O HY-W015883 [0,0,0,0,1,0|3,0,0]=4 15 B7R0.6 CC(=O)NNC(C)=O HY-I0777 [0,0,0,0,1,0|3,0,0]=4 16 B7R0.6 NC(=O)\C=C/C(=O)O HY-128750 [0,0,0,0,1,0|3,0,0]=4 17 B7R0.6 O=C(O)\C=C/C(=O)O HY-Y0367 [0,0,0,0,1,0|3,0,0]=4 18 B7R0.6 O=C(O)\C=C\C(=O)O HY-107829 [0,0,0,0,1,0|3,0,0]=4 19 B7R0.6 O=C(O)\C=C\C(=O)O HY-W015883R [0,0,0,0,1,0|3,0,0]=4 20 B7R0.6 O=C([O-])\C=C\C(=O)[O-] HY-B1651 [0,0,0,0,1,0|3,0,0]=4 21 B9R0.55 O=C(O)\C=C/C=C\C(=O)O HY-W000800 [0,0,0,0,0,1|3,0,0]=4 22 B9R0.55 O=C(O)\C=C\C=C\C(=O)O HY-113247 [0,0,0,0,0,1|3,0,0]=4 23 B6R0.4 CC\C=C\C(=O)O HY-W061674 [2,0,0,0,0,0|1,0,1]=4 24 B6R0.4 C\C=C\CC(=O)O HY-W088501 [2,0,0,0,0,0|1,0,1]=4 25 B6R0.6 CCC\C=C\C=O HY-128429 [2,0,0,0,0,0|0,0,2]=4 26 B6R0.6 C\C=C\C=C\CO HY-W017690 [2,0,0,0,0,0|0,0,2]=4 27 B8R0.5 CCOC(=O)C=C(C)C HY-41314 [1,1,0,0,0,0|1,0,1]=4 28 B8R0.6 C\C=C\C=C\C(=O)OC HY-W068700 [1,1,0,0,0,0|0,0,0]=2 29 B8R0.9 COC(=O)\C=C\C(=O)O HY-103252 [1,1,0,0,0,0|2,0,0]=4 30 B10R0.96 CC(C)=CC(=O)NCC(=O)O HY-113232 [0,1,0,0,0,1|1,0,1]=4 31 B10R0.3 CC(C)=CCC\C(C)=C\C=O HY-N7083 [0,2,0,0,0,0|0,0,2]=4 32 B10R0.3 CC(C)=CCC\C(C)=C\C=O HY-N7083R [0,2,0,0,0,0|0,0,2]=4 33 B8R1.1 CC1=CC=C(C=O)O1 HY-Y0543 [1,0,0,1,0,0|1,0,0]=3 34 B8R1.1 CC1=CC=C(C=O)S1 HY-34465 [1,0,0,1,0,0|1,0,0]=3 35 B8R1.1 O=CC1=CC=C(Br)S1 HY-59174 [1,0,0,1,0,0|2,0,0]=4 36 B8R1.1 O=CC1=CC=C(Cl)S1 HY-W002227 [1,0,0,1,0,0|2,0,0]=4 37 B8R1.4 CC1=CN=CC(C)=N1 HY-W040790 [1,0,0,1,0,0|2,0,0]=4 38 B8R1.4 CC1=NC(Cl)=CC=C1 HY-W001993 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.4 O=C1C=CC=C(O)N1 HY-W036553 [1,0,0,1,0,0|2,0,0]=4 40 B8R1.7 CC(=O)C1=CC=CO1 HY-W015912 [1,0,0,1,0,0|1,0,0]=3 41 B8R1.7 CC(=O)C1=CC=CS1 HY-20585 [1,0,0,1,0,0|1,0,0]=3 42 B8R1.7 CC(=O)C1=CSC=C1 HY-W007361 [1,0,0,1,0,0|1,0,1]=4 43 B8R1.7 CC(=O)C1=NC=CS1 HY-Y0045 [1,0,0,1,0,0|2,0,0]=4 44 B8R1.7 O=C(O)C1=CC=CO1 HY-W012946 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.22 O=C1C=CC=CC=C1 HY-W035904 [1,0,0,1,0,0|0,0,2]=4 46 B8R1.3 CC1=CNC(=O)C=C1 HY-W010566 [0,0,0,1,1,0|1,0,1]=4 47 B8R1.51 CC1(C)C=CC(=O)C1 HY-W024604 [0,0,0,1,1,0|0,0,1]=3 48 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 HY-W014915 [0,0,0,1,0,1|1,0,1]=4 49 B10R1.113 CC(=O)C1=CC(N)=CC=C1 HY-W012637 [0,0,0,1,0,1|1,0,1]=4 50 B10R1.113 CC(=O)C1=CC=CC(O)=C1 HY-Y0603 [0,0,0,1,0,1|1,0,1]=4 51 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 HY-W002593 [0,0,0,1,0,1|2,0,0]=4 52 B10R1.113 CC1=CC(C(=O)O)=CC=C1 HY-78571 [0,0,0,1,0,1|1,0,1]=4 53 B10R1.113 CC1=CC=CC(C(=O)O)=N1 HY-W002139 [0,0,0,1,0,1|2,0,0]=4 54 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 HY-20436 [0,1,0,1,0,0|1,0,1]=4 55 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 HY-60206 [0,1,0,1,0,0|1,0,1]=4 56 B10R1.13 CC(=O)C1=CC=C(C)C=C1 HY-W012653 [0,1,0,1,0,0|0,0,1]=3 57 B10R1.13 CC(=O)C1=CC=C(F)C=C1 HY-Y0779 [0,1,0,1,0,0|1,0,1]=4 58 B10R1.13 CC(=O)C1=CC=C(N)C=C1 HY-W008818 [0,1,0,1,0,0|1,0,1]=4 59 B10R1.13 CC(=O)C1=CC=C(O)C=C1 HY-Y0073 [0,1,0,1,0,0|1,0,1]=4 60 B10R1.13 CC(=O)C1=CC=C(O)C=C1 HY-Y0073R [0,1,0,1,0,0|1,0,1]=4 61 B10R1.13 CC1=CC=C(C(=O)O)C=C1 HY-76547 [0,1,0,1,0,0|1,0,1]=4 62 B10R1.13 CC1=CC=C(C(C)C)CC1 HY-W020182 [0,1,0,1,0,0|1,0,1]=4 63 B10R1.13 CC1=NC=C(C(=O)O)C=C1 HY-W008333 [0,1,0,1,0,0|1,0,1]=4 64 B10R1.13 CC1=NC=C(C(N)=O)C=C1 HY-W015815 [0,1,0,1,0,0|1,0,1]=4 65 B10R1.13 Cc1ccc(C(C)C)cc1 HY-79986 [0,1,0,1,0,0|1,0,1]=4 66 B10R1.31 O=C(O)C1=CC=C(CO)O1 HY-W005241 [0,1,0,1,0,0|2,0,0]=4 67 B10R1.59 CC(=O)C1=C(C)OC(C)=C1 HY-114517 [0,1,0,1,0,0|1,0,1]=4 68 B10R1.329 CC1=CC(=O)CC(C)(C)C1 HY-Y0932 [0,1,0,1,0,0|0,0,2]=4 69 B6R0.2 CC(=O)\C=C(\C)[O-] HY-W020952 [0,0,0,0,2,0|1,0,0]=3