0 B8R0.28 CC(=O)CCC=C(C)C M68353 [0,0,0,0,0,0|1,0,0]=1 1 B8R0.28 CC(=O)CCCC(=O)O A41468 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.28 CC(=O)NCCC(=O)O A60540 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.28 CC(=O)OCOC(C)=O M41231 [0,0,0,0,0,0|2,1,0]=3 4 B8R0.28 CN(C)CCCC(=O)O D43497 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.1 C=C(C)CCCC(=O)OC M47085 [0,1,0,0,0,0|1,0,2]=4 6 B9R0.1 COC(=O)CCCC(C)=O M62839 [0,1,0,0,0,0|2,0,1]=4 7 B9R0.53 CC(C)=CC(=O)C=C(C)C D69148 [0,1,0,0,0,0|2,0,1]=4 8 B9R0.56 CC(=O)SCC[N+](C)(C)C A38049 [0,1,0,0,0,0|1,0,1]=3 9 B9R1.35 CC(=O)C1=CC=C(C)S1 A46277 [0,0,0,1,0,0|2,0,1]=4 10 B9R1.35 CC(=O)C1=NC(C)=CO1 M43141 [0,0,0,1,0,0|3,0,0]=4 11 B9R1.35 CC(=O)N1CCC(=O)C1 A38370 [0,0,0,1,0,0|2,0,1]=4 12 B9R1.49 CN1CCNC(=O)CC1 M10175 [0,0,0,1,0,0|2,0,1]=4 13 B9R1.53 CC(=O)OC1CC(=O)C1 X11663 [0,0,0,1,0,0|1,1,1]=4 14 B9R1.53 CC(=O)O[C@H]1CC(=O)N1 A15221 [0,0,0,1,0,0|2,1,0]=4 15 B9R1.66 CC1(C)CC(=O)CCN1 D46484 [0,0,0,1,0,0|2,0,1]=4 16 B9R1.66 CC1(C)CC(=O)CCO1 D17314 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.66 CC1(C)CCCC(=O)C1 D22905 [0,0,0,1,0,0|1,0,2]=4 18 B7R0.6 C=C(Cl)CSC(C)=O C6230 [0,0,0,0,1,0|1,0,1]=3 19 B7R0.6 CC(=O)CCC(C)=O H64912 [0,0,0,0,1,0|1,0,1]=3 20 B7R0.6 CC(=O)CNC(C)=O X41261 [0,0,0,0,1,0|2,0,0]=3 21 B7R0.6 CC(=O)NN=C(C)C A66607 [0,0,0,0,1,0|2,0,0]=3 22 B7R0.6 CC(=O)NNC(C)C P40426 [0,0,0,0,1,0|2,0,1]=4 23 B7R0.6 CC(=O)\C=C\N(C)C D68911 [0,0,0,0,1,0|1,0,1]=3 24 B7R0.6 CC(C)=NNC(N)=O P39156 [0,0,0,0,1,0|3,0,0]=4 25 B7R0.6 CN(C)CCC(=O)O D41335 [0,0,0,0,1,0|2,0,1]=4 26 B9R0.55 CC(=O)CCCOC(C)=O X62778 [0,0,0,0,0,1|1,1,1]=4 27 B6R0.4 C=CCCC(=O)O P37823 [2,0,0,0,0,0|2,0,0]=4 28 B6R0.4 C=CCCC(N)=O P5022 [2,0,0,0,0,0|2,0,0]=4 29 B6R0.4 CC(C)=CCCBr B0351 [2,0,0,0,0,0|1,0,1]=4 30 B6R0.4 CC(C)=CCC[Mg+] M31885 [2,0,0,0,0,0|1,0,1]=4 31 B6R0.4 CN(C)\C=C\C=O D36904 [2,0,0,0,0,0|1,0,1]=4 32 B6R0.4 COC=CC(C)=O M41222 [2,0,0,0,0,0|1,0,1]=4 33 B10R0.57 C=C(COC(C)=O)C(=O)OC M43731 [0,2,0,0,0,0|1,1,0]=4 34 B8R1.7 O=C(O)C1CC=CC1 C11537 [1,0,0,1,0,0|2,0,0]=4 35 B8R1.34 CC(=O)SC1CNC1 T12525 [1,0,0,1,0,0|1,0,1]=4 36 B8R1.3 CC1=NNC(=O)CC1 M41199 [0,0,0,1,1,0|2,0,0]=4 37 B8R1.3 CC1CCC(=O)CC1 M39288 [0,0,0,1,1,0|0,0,2]=4 38 B8R1.3 CN1CCC(=O)CC1 M28326 [0,0,0,1,1,0|1,0,1]=4 39 B8R1.3 C[C@H]1CCC(=O)NC1 P23074 [0,0,0,1,1,0|1,0,1]=4 40 B8R1.3 O=C1CCC(=O)NC1 P24057 [0,0,0,1,1,0|2,0,0]=4 41 B8R1.51 CC1(C)CNC(=O)C1 D6966 [0,0,0,1,1,0|1,0,1]=4 42 B10R1.54 CC(=O)O[C@H]1C=CC(=O)C1 X24459 [0,0,0,1,0,1|1,1,0]=4 43 B6R0.2 CC(=O)C=C(C)N A41256 [0,0,0,0,2,0|1,0,0]=3 44 B6R0.2 CC(=O)NC(C)C P40402 [0,0,0,0,2,0|1,0,1]=4 45 B6R0.2 CN(C)CC(=O)Cl D40251 [0,0,0,0,2,0|2,0,0]=4