0 B8R0.28 CC(CCC=C(C)C)=O M10003758P [0,0,0,0,0,0|0,0,2]=2 1 B8R0.28 CC(OCC=C(C)C)=O M10028659P [0,0,0,0,0,0|1,0,1]=2 2 B8R0.28 O=C(O)\C=C\CN(C)C M10996972P [0,0,0,0,0,0|2,0,1]=3 3 B7R0.4 O=C(Cl)\C=C\OCC M10084811P [1,0,0,0,0,0|2,0,1]=4 4 B9R0.53 CC(C)=CC(C=C(C)C)=O M10012547P [0,1,0,0,0,0|1,0,0]=2 5 B9R1.35 CC(C1=CC(Br)=CS1)=O M10102448P [0,0,0,1,0,0|2,0,1]=4 6 B9R1.35 CC(C1=NC(C)=CO1)=O M10600566P [0,0,0,1,0,0|2,0,0]=3 7 B9R1.35 CC(C1=NC(C)=CS1)=O M10108448P [0,0,0,1,0,0|2,0,0]=3 8 B9R1.35 O=C(C1=CC(C)=CN1)O M10156935P [0,0,0,1,0,0|2,0,1]=4 9 B9R1.35 O=C(C1=CC=C(Br)N1)O M10202057P [0,0,0,1,0,0|3,0,0]=4 10 B9R1.35 O=C(C1=CC=C(C)O1)O M10037928P [0,0,0,1,0,0|2,0,0]=3 11 B9R1.35 O=C(C1=CC=C(F)S1)O M10062552P [0,0,0,1,0,0|3,0,0]=4 12 B9R1.35 O=C(C1=CN(C)C=C1)O M10232028P [0,0,0,1,0,0|2,0,1]=4 13 B9R1.35 O=C(C1=CN=C(C)N1)O M10031064P [0,0,0,1,0,0|3,0,0]=4 14 B9R1.35 O=C(C1=NC(C)=CO1)O M11111185P [0,0,0,1,0,0|3,0,0]=4 15 B9R1.35 O=C(C1=NC(C)=CS1)O M10131803P [0,0,0,1,0,0|3,0,0]=4 16 B9R1.35 O=C(C1=NC=C(C)S1)O M10327915P [0,0,0,1,0,0|3,0,0]=4 17 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 M10249081P [0,0,0,1,0,0|3,0,0]=4 18 B7R0.6 CC(C)=CC=C(C)C M10020099P [0,0,0,0,1,0|1,0,0]=2 19 B7R0.6 CC(C)\C=C\C(O)=O M10114075P [0,0,0,0,1,0|1,0,1]=3 20 B7R0.6 CC(\C=C\N(C)C)=O M10047810P [0,0,0,0,1,0|1,0,0]=2 21 B7R0.6 O=C(O)\C=C/C(N)=O M10014102P [0,0,0,0,1,0|3,0,0]=4 22 B7R0.6 O=C(O)\C=C/C([O-])=O M10251006P [0,0,0,0,1,0|3,0,0]=4 23 B7R0.6 O=C([O-])\C=C/C(O)=O M10018448P [0,0,0,0,1,0|3,0,0]=4 24 B9R0.55 O=C(O)\C=C\C=C\C(O)=O M10190197P [0,0,0,0,0,1|3,0,0]=4 25 B6R0.4 C=C\C=C\C(O)=O M10016890P [2,0,0,0,0,0|1,0,0]=3 26 B6R0.4 CC(CCC=C)=O M10003621P [2,0,0,0,0,0|0,0,2]=4 27 B6R0.4 CC\C=C\C(O)=O M10016889P [2,0,0,0,0,0|1,0,1]=4 28 B6R0.4 CC\C=C\C([O-])=O M12008293P [2,0,0,0,0,0|1,0,1]=4 29 B6R0.6 C\C=C\C=C\C=O M10005449P [2,0,0,0,0,0|0,0,0]=2 30 B6R0.6 C\C=C\C=C\CO M10147270P [2,0,0,0,0,0|0,0,2]=4 31 B8R0.6 C\C=C\C=C\C(OC)=O M10018450P [1,1,0,0,0,0|0,0,0]=2 32 B8R0.9 O=C(O)\C=C\C(OC)=O M10047363P [1,1,0,0,0,0|2,0,0]=4 33 B8R0.23 CC(C(CC(C)C)=C)=O M10028564P [0,1,0,0,1,0|0,0,2]=4 34 B8R0.23 CC(C(CC(C)C)=O)=O M10125906P [0,1,0,0,1,0|0,0,2]=4 35 B10R0.59 O=C(OC)\C=C\CC(OC)=O M10069263P [0,2,0,0,0,0|1,0,1]=4 36 B8R1.1 CC1=CC=C(CC)S1 M10242382P [1,0,0,1,0,0|0,1,1]=4 37 B8R1.1 CC1=NC(C=O)=CS1 M10168174P [1,0,0,1,0,0|2,0,0]=4 38 B8R1.1 CSC1=CC=C(C)O1 M10125717P [1,0,0,1,0,0|1,0,1]=4 39 B8R1.1 O=CC1=CC=C(Br)N1 M10023412P [1,0,0,1,0,0|2,0,0]=4 40 B8R1.1 O=CC1=COC(C)=N1 M10690619P [1,0,0,1,0,0|2,0,0]=4 41 B8R1.4 O=C1C=CC=C(F)N1 M10254544P [1,0,0,1,0,0|2,0,0]=4 42 B8R1.4 O=C1N=C(C)C=CN1 M10135661P [1,0,0,1,0,0|2,0,0]=4 43 B8R1.7 CC(C1=CC=CO1)C M10116563P [1,0,0,1,0,0|0,0,2]=4 44 B8R1.7 CC(C1=CNC=N1)=O M10353238P [1,0,0,1,0,0|2,0,0]=4 45 B8R1.7 O=C(C1=CC=CO1)O M10193915P [1,0,0,1,0,0|2,0,0]=4 46 B8R1.7 O=C(C1=CC=CS1)N M10080706P [1,0,0,1,0,0|2,0,0]=4 47 B8R1.3 CC1=CN=C(C)C=C1 M10195697P [0,0,0,1,1,0|1,0,1]=4 48 B8R1.3 CC1=NN=C(C)C=C1 M10033961P [0,0,0,1,1,0|2,0,0]=4 49 B8R1.3 O=C1CCC(C)=NN1 M10069197P [0,0,0,1,1,0|2,0,0]=4 50 B10R1.113 CC(C1=CC=CC(C)=C1)=O M10014836P [0,0,0,1,0,1|0,0,1]=3 51 B10R1.113 CC(C1=NC(Br)=CC=C1)=O M10252765P [0,0,0,1,0,1|2,0,0]=4 52 B10R1.113 CC(C1=NC(N)=NC=C1)=O M10662336P [0,0,0,1,0,1|2,0,0]=4 53 B10R1.113 CC1=CC(N(C)C)=CC=C1 M10004438P [0,0,0,1,0,1|2,0,0]=4 54 B10R1.113 O=C(C1=NC(C)=NC=C1)O M10125363P [0,0,0,1,0,1|2,0,0]=4 55 B10R1.113 O=C(O)C1=CC=NC(C)=C1 M10059321P [0,0,0,1,0,1|1,0,1]=4 56 B10R1.13 CC(C1=CC=C(C)N=C1)=O M10230450P [0,1,0,1,0,0|0,0,1]=3 57 B10R1.13 O=C(C1=CN=C(N)C=C1)C M10162833P [0,1,0,1,0,0|1,0,1]=4 58 B10R1.13 O=C(Cl)C1=CN=C(C)C=C1 M10260685P [0,1,0,1,0,0|1,0,1]=4 59 B10R1.14 CCC(C1=CC=C(C)O1)=O M10116566P [0,1,0,1,0,0|1,0,0]=3 60 B10R1.14 O=C(C1=CC=C(Br)O1)OC M10045028P [0,1,0,1,0,0|2,0,0]=4 61 B10R1.31 O=C(C1=CC=C(CC)S1)O M10178972P [0,1,0,1,0,0|2,0,0]=4 62 B10R1.31 O=CC1=CC=C(C(C)=O)S1 M10064480P [0,1,0,1,0,0|1,0,1]=4 63 B10R1.58 O=C(C1=CC(C)=C(C)S1)O M10244028P [0,1,0,1,0,0|2,0,0]=4 64 B10R1.59 CC(C1=C(C)SC(C)=C1)=O M10045050P [0,1,0,1,0,0|1,0,1]=4 65 B10R1.59 O=C(C1=C(C)C=C(C)N1)O M10064053P [0,1,0,1,0,0|2,0,0]=4 66 B6R0.2 CC(CC(C)=O)=O M10123299P [0,0,0,0,2,0|1,0,1]=4 67 B6R0.2 O=C(Cl)C=C(C)C M10053608P [0,0,0,0,2,0|1,0,0]=3