0 B8R0.19 CC[C@H](N)CC(=O)OC N12944 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.19 CC[C@H](O)CC(=O)OC C15791 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.2 COC(=O)CC(=N)N AC2408 [1,0,0,0,0,0|3,0,0]=4 3 B7R0.2 COC(=O)C[C@H](C)N FD10418 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.2 COC(=O)C[C@H](C)N S11691 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.2 CO\C(C)=C/C(C)=O D93418 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.3 CNCCC(=O)OC AB11809 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.3 COC(=O)\C=C\CCl AT12623 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.3 COC(=O)\C=C\CN AT20770 [1,0,0,0,0,0|3,0,0]=4 9 B9R0.22 CNS(=O)(=O)CC(=O)OC AC5814 [0,1,0,0,0,0|3,0,0]=4 10 B9R0.34 CCOC(=O)NC(=O)CCl D75421 [0,1,0,0,0,0|3,0,0]=4 11 B9R0.42 COC(=O)CC(=O)C(=O)O 78060 [0,1,0,0,0,0|3,0,0]=4 12 B9R1.37 CC1=C(Br)C(=O)OC1=O D86617 [0,0,0,1,0,0|3,0,0]=4 13 B9R1.37 C[C@H]1C(=O)CC(=O)N1C 79650 [0,0,0,1,0,0|3,0,0]=4 14 B9R1.37 C[C@H]1C(=O)OC(=O)N1C P14136 [0,0,0,1,0,0|2,0,0]=3 15 B9R1.48 O=C1CCCNC(=O)C1 F12567 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.69 CN1CCC(=O)CC1=O P13026 [0,0,0,1,0,0|3,0,0]=4 17 B9R1.69 C[C@H]1CCC(=O)NC1=O W17200 [0,0,0,1,0,0|3,0,0]=4 18 B7R0.10 C=C(CCl)C(=O)OC 36746 [0,0,0,0,1,0|3,0,0]=4 19 B7R0.10 CC[C@H](Br)C(=O)OC D86786 [0,0,0,0,1,0|2,0,1]=4 20 B7R0.10 CC[C@H](O)C(=O)OC 98375 [0,0,0,0,1,0|1,0,2]=4 21 B7R0.10 CN[C@@H](C)C(=O)OC D84514 [0,0,0,0,1,0|2,0,1]=4 22 B9R0.24 CCC(=O)CCC(=O)CC Y14693 [0,0,0,0,0,1|3,0,0]=4 23 B9R0.24 COC(=O)CCC(=O)CBr D72688 [0,0,0,0,0,1|3,0,0]=4 24 B6R0.1 C=C=CC(=O)OC F20885 [2,0,0,0,0,0|1,0,1]=4 25 B6R0.1 COC(=O)OCCl R10013 [2,0,0,0,0,0|1,0,1]=4 26 B6R0.1 COC(=O)\C=C\I C10406 [2,0,0,0,0,0|2,0,0]=4 27 B6R0.2 CC(=O)CC(=O)[O-] T70807 [2,0,0,0,0,0|1,0,1]=4 28 B6R0.2 CC(=O)\C=C(\C)[O-] F16607 [2,0,0,0,0,0|1,0,1]=4 29 B6R0.2 CC(=O)\C=C(\C)[O-] T70322 [2,0,0,0,0,0|1,0,1]=4 30 B6R0.2 CC(=O)\C=C(\C)[O-] T71766 [2,0,0,0,0,0|1,0,1]=4 31 B6R0.2 CC(=O)\C=C(\C)[O-] T71857 [2,0,0,0,0,0|1,0,1]=4 32 B6R0.2 NC(=O)CC(=O)O F20599 [2,0,0,0,0,0|2,0,0]=4 33 B6R0.4 COC=CC(=O)O D97266 [2,0,0,0,0,0|1,0,0]=3 34 B8R0.2 COC(=O)[C@@H](C)C(=O)O C74590 [1,1,0,0,0,0|1,0,0]=3 35 B8R0.2 COC(=O)[C@@H](N)C(C)=O C75090 [1,1,0,0,0,0|1,0,0]=3 36 B8R0.5 CCCC(=O)CC(C)=O 79568 [1,1,0,0,0,0|2,0,0]=4 37 B8R0.5 CCOC(=O)CC(=O)[O-] C15698 [1,1,0,0,0,0|1,0,1]=4 38 B8R0.5 COCC(=O)OC(C)C C11794 [1,1,0,0,0,0|1,0,1]=4 39 B8R0.3 COC[C@H](N)C(=O)OC C73433 [1,1,0,0,0,0|1,0,1]=4 40 B8R0.6 COC\C=C\C(=O)OC P17071 [1,1,0,0,0,0|1,0,0]=3 41 B10R0.108 CCOC(=O)CNC(=O)OC 74367 [0,1,0,0,0,1|1,0,0]=3 42 B10R0.108 CCOC(=O)NCC(=O)OC AB7223 [0,1,0,0,0,1|1,0,0]=3 43 B10R0.35 CCOC(=O)[C@@H](C)C(=O)CC AB10080 [0,2,0,0,0,0|2,0,0]=4 44 B10R0.2 CCOC(=O)\C=C(/C)OCC AC2253 [0,2,0,0,0,0|2,0,0]=4 45 B10R0.2 O=C(CCCl)OC(=O)CCCl AC9354 [0,2,0,0,0,0|2,0,0]=4 46 B10R0.18 C#CCCC(=O)CC(=O)OC N11412 [0,2,0,0,0,0|2,0,0]=4 47 B10R0.18 COCCC(=O)CC(=O)OC T72723 [0,2,0,0,0,0|1,0,0]=3 48 B10R0.44 COC(=O)CC(=O)CC(C)=O C74527 [0,2,0,0,0,0|2,0,0]=4 49 B8R1.1 COC1=CC(=O)CC1 63697 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.4 C=C1CCCC(=O)O1 D93802 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.4 CC1=CC(=O)OCC1 D93039 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [1,0,0,1,0,0|1,0,1]=4 53 B8R1.18 CN1CC(=O)OC1=O Y11634 [1,0,0,1,0,0|1,0,0]=3 54 B8R1.18 N[C@H]1CC(=O)OC1=O 51906 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.18 N[C@H]1CC(=O)OC1=O 51907 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.22 O=C1OCCCCO1 D93115 [1,0,0,1,0,0|1,0,1]=4 57 B8R1.38 COC(=O)C1COC1 81275 [1,0,0,1,0,0|1,0,1]=4 58 B10R1.14 COC(=O)C1=CC(=O)CC1 24403 [0,0,0,1,0,1|2,0,0]=4 59 B10R1.14 COC(=O)[C@@H]1COC(=O)N1 74856 [0,0,0,1,0,1|1,0,0]=3 60 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 P10176 [0,0,0,1,0,1|2,0,0]=4 61 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 P12477 [0,0,0,1,0,1|2,0,0]=4 62 B10R1.71 O=C1CCC(=O)OCCO1 D93050 [0,0,0,1,0,1|1,0,0]=3 63 B10R1.149 COC(=O)C1=C(C)OCC1 W15954 [0,1,0,1,0,0|2,0,0]=4 64 B10R1.149 COC(=O)[C@@H]1CCNC1=O 36442 [0,1,0,1,0,0|2,0,0]=4 65 B10R1.149 COC(=O)[C@@H]1CCOC1=O F31228 [0,1,0,1,0,0|1,0,0]=3 66 B10R1.149 COC(=O)[C@@H]1SCCC1=O 84770 [0,1,0,1,0,0|2,0,0]=4 67 B10R1.8 COC1=CC(=O)OC(C)=C1 A10838 [0,1,0,1,0,0|2,0,0]=4 68 B10R2.42 O=C1OC(=O)C2CCC12 59945 [0,0,0,2,0,0|2,0,0]=4 69 B6R0.3 COC(=O)N(C)C D93880 [1,0,0,0,1,0|2,0,0]=4 70 B10R0.59 COC(=O)COCC(=O)OC C16251 [0,0,0,0,0,2|0,0,0]=2