0 B8R0.28 CC(CCC=C(C)C)=O M10003758P [0,0,0,0,0,0|1,0,0]=1 1 B8R0.28 CC(OCC=C(C)C)=O M10028659P [0,0,0,0,0,0|0,1,0]=1 2 B8R0.28 O=C(O)CCCN(C)C M10436635P [0,0,0,0,0,0|3,0,1]=4 3 B7R0.4 CC(OCCOC)=O M10003718P [1,0,0,0,0,0|1,1,1]=4 4 B9R0.53 CC(C)=CC(C=C(C)C)=O M10012547P [0,1,0,0,0,0|2,0,1]=4 5 B9R1.35 CC(C1=NC(C)=CO1)=O M10600566P [0,0,0,1,0,0|3,0,0]=4 6 B9R1.35 CC(C1=NC(C)=CS1)=O M10108448P [0,0,0,1,0,0|3,0,0]=4 7 B9R1.53 CC(OC1CC(C1)=O)=O M10397990P [0,0,0,1,0,0|1,1,1]=4 8 B9R1.66 O=C1CC(C)(C)OCC1 M10028787P [0,0,0,1,0,0|2,0,1]=4 9 B7R0.6 CC(C)=CC=C(C)C M10020099P [0,0,0,0,1,0|1,0,1]=3 10 B7R0.6 CC(C)\C=C\C(O)=O M10114075P [0,0,0,0,1,0|1,0,2]=4 11 B7R0.6 CC(CCC([O-])=O)=O M10183682P [0,0,0,0,1,0|2,0,1]=4 12 B7R0.6 CC(\C=C\N(C)C)=O M10047810P [0,0,0,0,1,0|1,0,1]=3 13 B7R0.6 C[S+](CCC(O)=O)C M10062116P [0,0,0,0,1,0|2,0,1]=4 14 B7R0.6 O=C(C)CCC([O-])=O M10015062P [0,0,0,0,1,0|2,0,1]=4 15 B7R0.6 O=C(Cl)OCC(C)C M10013714P [0,0,0,0,1,0|1,1,1]=4 16 B7R0.6 O=C(O)CCN(C)C M10133339P [0,0,0,0,1,0|2,0,1]=4 17 B6R0.4 C=CCCC(Cl)=O M10240332P [2,0,0,0,0,0|2,0,0]=4 18 B6R0.4 CC(C)CCC=O M10027096P [2,0,0,0,0,0|0,0,2]=4 19 B6R0.4 CC(CCC=C)=O M10003621P [2,0,0,0,0,0|1,0,0]=3 20 B6R0.6 C\C=C\C=C\C=O M10005449P [2,0,0,0,0,0|1,0,1]=4 21 B8R0.6 C\C=C\C=C\C(OC)=O M10018450P [1,1,0,0,0,0|1,0,1]=4 22 B8R0.9 CC(CCC(OC)=O)=O M10016714P [1,1,0,0,0,0|2,0,0]=4 23 B8R0.23 CC(C(CC(C)C)=C)=O M10028564P [0,1,0,0,1,0|1,0,1]=4 24 B8R0.23 CC(C(CC(C)C)=O)=O M10125906P [0,1,0,0,1,0|1,0,1]=4 25 B10R0.3 CC(CCC=C(C)C)CC=O M10203794P [0,2,0,0,0,0|1,0,1]=4 26 B8R1.3 O=C1CCC(C)=NN1 M10069197P [0,0,0,1,1,0|2,0,0]=4 27 B6R0.2 CC(CC(C)=O)=O M10123299P [0,0,0,0,2,0|1,0,0]=3 28 B6R0.2 C[S+](CC([O-])=O)C M10065707P [0,0,0,0,2,0|2,0,0]=4 29 B6R0.2 O=C(Cl)C=C(C)C M10053608P [0,0,0,0,2,0|1,0,0]=3 30 B6R0.2 O=C([O-])CN(C)C M10154757P [0,0,0,0,2,0|2,0,0]=4