0 B8R0.28 CC(=O)CCCC(=O)O SY015106 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.28 CC(=O)CCCC(C)=O SY253771 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.28 CC(=O)CCCN(C)C SY147772 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.28 CC(=O)NCCC(=O)O SY025089 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.28 CC(=O)O[Sr]OC(C)=O SY006682 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.28 CC(C)CCOC(=O)Cl SY032117 [0,0,0,0,0,0|1,0,2]=3 6 B8R0.28 CN(C)CCCC(=O)O SY058453 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.4 CC(=O)OCCCCl SY106444 [1,0,0,0,0,0|1,0,2]=4 8 B9R0.1 COC(=O)CCCC(C)=O SY113736 [0,1,0,0,0,0|2,0,1]=4 9 B9R0.56 CC(=O)SCC[N+](C)(C)C SY022189 [0,1,0,0,0,0|1,1,1]=4 10 B9R1.35 CC(=O)C1=CC=C(C)O1 SY013987 [0,0,0,1,0,0|2,0,1]=4 11 B9R1.35 CC(=O)C1=CC=C(C)S1 SY016983 [0,0,0,1,0,0|2,0,1]=4 12 B9R1.35 CC(C)[C@@H]1COC(=O)N1 SY021565 [0,0,0,1,0,0|1,0,2]=4 13 B9R1.35 CC(C)[C@H]1COC(=O)N1 SY007944 [0,0,0,1,0,0|1,0,2]=4 14 B9R1.49 CN1CCCC(=O)CC1 SY002715 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.49 CN1CCNC(=O)CC1 SY022083 [0,0,0,1,0,0|2,0,1]=4 16 B9R1.53 CC(=O)OC1CC(=O)C1 SY025795 [0,0,0,1,0,0|1,0,1]=3 17 B9R1.66 CC1(C)CC(=O)CCN1 SY030979 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.66 CC1(C)CC(=O)CCO1 SY006372 [0,0,0,1,0,0|2,0,1]=4 19 B9R1.66 CC1(O)CCOC(=O)C1 SY032939 [0,0,0,1,0,0|1,0,2]=4 20 B7R0.6 C=C(Br)CNC(C)=O SY264197 [0,0,0,0,1,0|2,0,1]=4 21 B7R0.6 CC(=O)C=CC(C)=O SY233697 [0,0,0,0,1,0|1,0,1]=3 22 B7R0.6 CC(=O)CCC(N)=O SY273013 [0,0,0,0,1,0|2,0,1]=4 23 B7R0.6 CC(=O)NCC(=O)O SY013515 [0,0,0,0,1,0|3,0,0]=4 24 B7R0.6 CC(=O)OCC(C)O SY272306 [0,0,0,0,1,0|1,0,1]=3 25 B7R0.6 CC(C)CCC(=O)O SY001693 [0,0,0,0,1,0|1,0,2]=4 26 B7R0.6 CN(C)CCC(=O)O SY031864 [0,0,0,0,1,0|2,0,1]=4 27 B9R0.55 CC(=O)NCCCN(C)C SY028365 [0,0,0,0,0,1|2,0,1]=4 28 B9R0.55 CC(C)=CCCCC(=O)O SY253607 [0,0,0,0,0,1|2,0,0]=3 29 B6R0.4 CC(C)OCC=O SY269035 [2,0,0,0,0,0|1,0,1]=4 30 B6R0.4 CCCOC(N)=O SY114484 [2,0,0,0,0,0|1,0,1]=4 31 B6R0.4 CN(C)CCC=O SY022382 [2,0,0,0,0,0|1,0,1]=4 32 B6R0.4 CO\C=C\C(C)=O SY029615 [2,0,0,0,0,0|1,0,1]=4 33 B8R0.6 C\C=C\C=C\C(=O)OC SY115509 [1,1,0,0,0,0|1,0,1]=4 34 B8R0.7 CC(=O)OCCCCBr SY048653 [1,1,0,0,0,0|0,0,2]=4 35 B8R0.7 CC(=O)OCCCCO SY294143 [1,1,0,0,0,0|0,0,2]=4 36 B8R0.9 COC(=O)CCC(C)=O SY048239 [1,1,0,0,0,0|2,0,0]=4 37 B8R0.23 CC(=O)CC(=O)C(C)C SY021087 [0,1,0,0,1,0|0,0,1]=3 38 B8R0.29 CC(=O)CCC(C)(C)C SY200187 [0,1,0,0,1,0|0,0,2]=4 39 B10R0.98 CC(=O)OCCC(Cl)C(C)=O SY019538 [0,1,0,0,0,1|1,0,1]=4 40 B8R1.7 O=C(O)C1CC=CC1 SY003813 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.19 CC1(C)CCOC1=O SY029932 [1,0,0,1,0,0|0,0,2]=4 42 B8R1.3 CC1=NNC(=O)CC1 SY023987 [0,0,0,1,1,0|2,0,0]=4 43 B8R1.3 CC1C=CC(=O)CC1 SY100224 [0,0,0,1,1,0|0,0,2]=4 44 B8R1.3 O=C1CCC(=O)CC1 SY002914 [0,0,0,1,1,0|1,0,1]=4 45 B8R1.51 CC1(C)CCC(=O)C1 SY043145 [0,0,0,1,1,0|0,0,2]=4 46 B8R1.51 CC1(C)CNC(=O)C1 SY015235 [0,0,0,1,1,0|1,0,1]=4 47 B10R1.54 CC(=O)O[C@H]1C=C[C@@H](O)C1 SY096978 [0,0,0,1,0,1|1,0,1]=4 48 B10R1.54 CC(=O)O[C@H]1C=C[C@H](O)C1 SY291850 [0,0,0,1,0,1|1,0,1]=4 49 B6R0.2 CC(=O)NC(C)C SY107538 [0,0,0,0,2,0|1,0,1]=4 50 B6R0.2 CC(=O)OC(C)Br SY067153 [0,0,0,0,2,0|1,0,1]=4 51 B6R0.2 CC(=O)\C=C(\C)[O-] SY008855 [0,0,0,0,2,0|1,0,0]=3 52 B6R0.2 CC(=O)\C=C(\C)[O-] SY010105 [0,0,0,0,2,0|1,0,0]=3 53 B6R0.2 CC(=O)\C=C(\C)[O-] SY010217 [0,0,0,0,2,0|1,0,0]=3 54 B6R0.2 CC(=O)\C=C(\C)[O-] SY010282 [0,0,0,0,2,0|1,0,0]=3 55 B6R0.2 CC(=O)\C=C(\C)[O-] SY011804 [0,0,0,0,2,0|1,0,0]=3 56 B6R0.2 CC(=O)\C=C(\C)[O-] SY072898 [0,0,0,0,2,0|1,0,0]=3 57 B6R0.2 CC(=O)\C=C(\C)[O-] SY107884 [0,0,0,0,2,0|1,0,0]=3 58 B6R0.2 CN(C)CC(=O)O SY001194 [0,0,0,0,2,0|2,0,0]=4 59 B6R0.2 CN(C)CC(=O)O SY005006 [0,0,0,0,2,0|2,0,0]=4 60 B10R0.97 CC(C)=CCCCCC(=O)O SY253608 [0,0,0,0,0,2|2,0,0]=4