0 B8R0.28 CC(=O)NCCC(C)C S10520 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.28 CC(=O)OCCC(=O)O C77559 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.28 CC(C)=CCCC(=O)O F16793 [0,0,0,0,0,0|2,0,0]=2 3 B8R0.28 CC(C)=CCNC(=N)N D81045 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.28 CC(C)OCOC(C)C D93413 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.4 CC(=O)OCCCBr C75766 [1,0,0,0,0,0|1,0,2]=4 6 B7R0.4 C\C=C/C=C/C(=O)O D86563 [1,0,0,0,0,0|2,0,1]=4 7 B9R0.7 CC(=O)OC[C@H](N)C(=O)O 50434 [0,1,0,0,0,0|2,0,1]=4 8 B9R0.56 CC(=O)OCC[N+](C)(C)C C74167 [0,1,0,0,0,0|1,0,1]=3 9 B9R0.56 CC(=O)SCC[Si](C)(C)C 74845 [0,1,0,0,0,0|0,2,1]=4 10 B9R1.35 CC(=O)C1=NC(C)=CO1 36487 [0,0,0,1,0,0|3,0,0]=4 11 B9R1.35 CC(=O)C1=NC=C(C)S1 78720 [0,0,0,1,0,0|3,0,0]=4 12 B9R1.35 CC(=O)C1=NOC(C)=C1 72215 [0,0,0,1,0,0|3,0,0]=4 13 B9R1.35 CC(C)C1=NNC(=O)C1 W16000 [0,0,0,1,0,0|2,0,1]=4 14 B9R1.49 CN1CCNC(=O)CC1 Y10078 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.53 CC(=O)OC1CC(=O)C1 38846 [0,0,0,1,0,0|1,0,1]=3 16 B7R0.6 CC(=O)NNC(C)C F19849 [0,0,0,0,1,0|2,0,1]=4 17 B7R0.6 CC(=O)ON=C(C)C F19954 [0,0,0,0,1,0|1,0,0]=2 18 B7R0.6 CC(C)=CCC(=O)O 24307 [0,0,0,0,1,0|1,0,0]=2 19 B7R0.6 C[S+](C)CCC(=O)O T70554 [0,0,0,0,1,0|2,0,1]=4 20 B9R0.55 CC(=O)CCCOC(C)=O D74850 [0,0,0,0,0,1|1,0,1]=3 21 B6R0.4 C=CCCC(=O)Cl F16765 [2,0,0,0,0,0|2,0,0]=4 22 B6R0.4 CC(=O)CCC=O P17049 [2,0,0,0,0,0|1,0,1]=4 23 B6R0.4 CC(=O)OCCN W11955 [2,0,0,0,0,0|1,0,1]=4 24 B6R0.4 CC(C)CCC=O 31143 [2,0,0,0,0,0|0,0,2]=4 25 B8R0.23 C=C(CC(C)C)C(C)=O H11904 [0,1,0,0,1,0|1,0,1]=4 26 B8R0.23 CC(=O)O[C@@H](C)C(=O)O T70471 [0,1,0,0,1,0|2,0,0]=4 27 B8R0.23 CC(=O)O[C@@H](C)C(C)=O H10680 [0,1,0,0,1,0|1,0,0]=3 28 B8R0.29 CC(=O)ONC(C)(C)C 77604 [0,1,0,0,1,0|1,0,1]=4 29 B8R0.29 CC(C)=CCC(C)(C)C D93076 [0,1,0,0,1,0|1,0,1]=4 30 B8R0.29 CC(C)COS(C)(=O)=O A12119 [0,1,0,0,1,0|1,0,1]=4 31 B10R0.57 C=C(COC(C)=O)C(=O)OC C74591 [0,2,0,0,0,0|1,0,0]=3 32 B10R0.77 CC(=O)OCOC(CCl)CCl D82493 [0,2,0,0,0,0|1,0,1]=4 33 B10R0.31 CC(=O)O[C@@H](C)C[N+](C)(C)C C75939 [0,2,0,0,0,0|1,0,1]=4 34 B8R1.1 C=C[C@@H]1COC(=O)C1 88423 [1,0,0,1,0,0|0,0,2]=4 35 B8R1.4 CC1=CC(=O)OCC1 D93039 [1,0,0,1,0,0|0,0,2]=4 36 B8R1.4 CC1=CN=NC(=O)C1 78530 [1,0,0,1,0,0|2,0,0]=4 37 B8R1.34 CC(=O)OC1CNC1 C72427 [1,0,0,1,0,0|1,0,1]=4 38 B8R1.34 CC(=O)OC1CNC1 C76369 [1,0,0,1,0,0|1,0,1]=4 39 B8R1.3 C[C@@H]1C=CC(=O)CC1 P17313 [0,0,0,1,1,0|0,0,2]=4 40 B8R1.3 C[C@H]1CCC(=O)NC1 P11593 [0,0,0,1,1,0|1,0,1]=4 41 B8R1.3 O=C1CCC(=O)OC1 P20160 [0,0,0,1,1,0|1,0,0]=3 42 B8R1.3 O=C1CC[C@H](O)CO1 F13840 [0,0,0,1,1,0|1,0,1]=4 43 B8R1.23 CC(=O)N1CC(=O)C1 D96529 [0,0,0,1,1,0|2,0,0]=4 44 B8R1.23 CC(C)[C@@H]1CC(=O)N1 P18338 [0,0,0,1,1,0|1,0,1]=4 45 B8R1.51 CC1(C)C=CC(=O)C1 S10959 [0,0,0,1,1,0|0,0,2]=4 46 B8R1.51 CC1(C)CCC(=O)C1 55299 [0,0,0,1,1,0|0,0,2]=4 47 B8R1.51 CC1(C)COC(=O)C1 82056 [0,0,0,1,1,0|0,0,1]=3 48 B8R1.51 CC1(C)COC(=O)N1 38028 [0,0,0,1,1,0|1,0,1]=4 49 B10R1.54 CC(=O)O[C@@H]1C=CC(=O)C1 A10073 [0,0,0,1,0,1|1,0,0]=3 50 B10R1.54 CC(=O)O[C@@H]1C=CC(=O)C1 P15221 [0,0,0,1,0,1|1,0,0]=3 51 B10R1.71 O=C1CCC(=O)OCCO1 D93050 [0,0,0,1,0,1|1,0,1]=4 52 B10R1.13 CC(=O)[C@@H]1CC=C(C)CC1 25854 [0,1,0,1,0,0|1,0,0]=3 53 B10R1.13 CC1=CCC(C(=O)O)=CC1 A12608 [0,1,0,1,0,0|2,0,0]=4 54 B10R1.13 CC1=CC[C@@H](C(=O)O)CC1 71380 [0,1,0,1,0,0|2,0,0]=4 55 B6R0.2 CC(=O)CC(=O)[O-] T70807 [0,0,0,0,2,0|2,0,0]=4 56 B6R0.2 CC(=O)\C=C(\C)[O-] F16607 [0,0,0,0,2,0|1,0,0]=3 57 B6R0.2 CC(=O)\C=C(\C)[O-] T70322 [0,0,0,0,2,0|1,0,0]=3 58 B6R0.2 CC(=O)\C=C(\C)[O-] T71766 [0,0,0,0,2,0|1,0,0]=3 59 B6R0.2 CC(=O)\C=C(\C)[O-] T71857 [0,0,0,0,2,0|1,0,0]=3 60 B6R0.2 CC(C)CC(N)=O C75541 [0,0,0,0,2,0|1,0,1]=4