0 B8R0.28 CC(=O)CCCC(C)C 5697AC [0,0,0,0,0,0|1,0,2]=3 1 B8R0.28 CC(=O)CCOC(C)=O 0405AA [0,0,0,0,0,0|1,0,1]=2 2 B8R0.28 CC(=O)OCC=C(C)C 3268AA [0,0,0,0,0,0|0,0,0]=0 3 B8R0.28 CC(=O)OCCN(C)C 6940AA [0,0,0,0,0,0|1,0,1]=2 4 B8R0.28 CC(=O)OCOC(C)=O 9512AB [0,0,0,0,0,0|2,0,0]=2 5 B8R0.28 CC(=O)O[Ca]OC(C)=O 7185AF [0,0,0,0,0,0|3,0,0]=3 6 B8R0.28 CC(=O)O[Fe]OC(C)=O 3281AB [0,0,0,0,0,0|3,0,0]=3 7 B8R0.28 CC(=O)O[Ni]OC(C)=O 7210AF [0,0,0,0,0,0|3,0,0]=3 8 B8R0.28 CC(=O)O[Pd]OC(C)=O 8735AL [0,0,0,0,0,0|3,0,0]=3 9 B8R0.28 CC(=O)\C=C\C=C(C)C 8087AA [0,0,0,0,0,0|1,0,1]=2 10 B8R0.28 CC(=O)\C=C\CC(C)C 2964AL [0,0,0,0,0,0|1,0,3]=4 11 B8R0.28 CC(C)CCO[N+](=O)[O-] 7332AF [0,0,0,0,0,0|2,0,2]=4 12 B7R0.4 CCCCSC(C)=O 3195AL [1,0,0,0,0,0|0,1,2]=4 13 B9R0.1 CC(C)=CCCC(C)C=O 5418AL [0,1,0,0,0,0|1,0,1]=3 14 B9R0.1 CCC(C)CCOC(C)=O 6119AL [0,1,0,0,0,0|0,0,2]=3 15 B9R0.1 CCC(C)OCCC(C)=O 6681AL [0,1,0,0,0,0|2,0,1]=4 16 B9R0.53 CC(=O)NC(C)OC(C)C 8305AL [0,1,0,0,0,0|2,0,1]=4 17 B9R0.56 CC(=O)OCC[N+](C)(C)C 0176AC [0,1,0,0,0,0|1,0,1]=3 18 B9R1.35 CC(=O)C1=NC(C)=CS1 0755AQ [0,0,0,1,0,0|3,0,0]=4 19 B9R1.35 CC(=O)C1=NC=C(C)S1 Y9563 [0,0,0,1,0,0|3,0,0]=4 20 B9R1.35 CC(=O)C1=NOC(C)=C1 1733AB [0,0,0,1,0,0|3,0,0]=4 21 B9R1.49 CN1CCNC(=O)CC1 3270AC [0,0,0,1,0,0|2,0,1]=4 22 B9R1.49 CN1CCNC(=O)CC1 W6867 [0,0,0,1,0,0|2,0,1]=4 23 B9R1.66 CC1(C)CC(=O)CCO1 V2429 [0,0,0,1,0,0|2,0,1]=4 24 B9R1.66 CC1(O)CCOC(=O)C1 I616 [0,0,0,1,0,0|1,0,2]=4 25 B7R0.6 C=C(C)CCC(=O)O 0114AA [0,0,0,0,1,0|1,0,2]=4 26 B7R0.6 CC(=O)CNC(C)=O 2096AC [0,0,0,0,1,0|2,0,0]=3 27 B7R0.6 CC(=O)\C=C\N(C)C 3259AA [0,0,0,0,1,0|1,0,1]=3 28 B7R0.6 CC(C)OCC(=O)O 0549AE [0,0,0,0,1,0|2,0,1]=4 29 B7R0.6 C[S+](C)CCC(=O)O 4030AL [0,0,0,0,1,0|2,0,1]=4 30 B9R0.55 CC(=O)CCOCC(C)C 6549AL [0,0,0,0,0,1|1,0,2]=4 31 B9R0.55 CC(=O)NCCNC(C)=O 1171AF [0,0,0,0,0,1|2,0,1]=4 32 B6R0.4 C=COCC(C)C 8720AJ [2,0,0,0,0,0|0,0,2]=4 33 B6R0.4 CCCOC(N)=O 9471AB [2,0,0,0,0,0|1,0,1]=4 34 B6R0.4 CCCSC(C)=O R568 [2,0,0,0,0,0|0,1,1]=4 35 B6R0.4 CSCCC(C)=O L760 [2,0,0,0,0,0|1,0,1]=4 36 B8R0.6 COCCOC(=O)CCl 7354AL [1,1,0,0,0,0|1,0,1]=4 37 B8R0.7 C=CCCCOC(C)=O 6663AL [1,1,0,0,0,0|0,0,2]=4 38 B8R0.7 CC(=O)OCCCCBr 7492AF [1,1,0,0,0,0|0,0,2]=4 39 B8R0.9 CNC(=O)CNC(C)=O 4960AH [1,1,0,0,0,0|2,0,0]=4 40 B8R0.23 CC(=O)CC(=O)C(C)C 8868AE [0,1,0,0,1,0|0,0,1]=3 41 B8R0.29 CC(=O)OC[Si](C)(C)C 9323AL [0,1,0,0,1,0|0,1,0]=3 42 B10R0.3 CC(C)=CCCC(C)CC=O S555 [0,2,0,0,0,0|1,0,1]=4 43 B10R0.3 CC(C)=CCC\C(C)=C\CBr 9201AB [0,2,0,0,0,0|2,0,0]=4 44 B10R0.77 CC(=O)OCOC(CCl)CCl 4737AC [0,2,0,0,0,0|1,0,1]=4 45 B10R0.31 CC(=O)OC(C)C[N+](C)(C)C 7985AF [0,2,0,0,0,0|1,0,1]=4 46 B8R1.1 COC1=CC(=O)OC1 1405AQ [1,0,0,1,0,0|1,0,1]=4 47 B8R1.4 CN1CCOC(=O)C1 9637AA [1,0,0,1,0,0|1,0,1]=4 48 B8R1.22 O=C1CCOCCO1 4654AL [1,0,0,1,0,0|1,0,1]=4 49 B8R1.51 CC1(C)CNC(=O)C1 0268AC [0,0,0,1,1,0|1,0,1]=4 50 B10R1.54 CC(=O)O[C@H]1C=C[C@@H](O)C1 X6355 [0,0,0,1,0,1|1,0,1]=4 51 B10R1.13 C=C(C)C1CC=C(C)CC1 8591AJ [0,1,0,1,0,0|2,0,0]=4 52 B10R1.13 CC(=O)C1CC=C(C)CC1 Z4935 [0,1,0,1,0,0|1,0,0]=3 53 B10R1.13 CC1=CCC(C(=O)O)CC1 6606AL [0,1,0,1,0,0|2,0,0]=4 54 B6R0.2 CC(=O)NC(C)=O 7247AF [0,0,0,0,2,0|2,0,0]=4 55 B6R0.2 CC(=O)NC(C)C X8984 [0,0,0,0,2,0|1,0,1]=4 56 B6R0.2 CC(C)OC(N)=O 7274AF [0,0,0,0,2,0|1,0,1]=4