0 B8R0.5 CCOC(=O)CC(C)=O T15254 [0,0,0,0,0,0|0,0,0]=0 1 B8R0.5 CCOC(=O)CC(C)O T19314 [0,0,0,0,0,0|0,0,2]=2 2 B8R0.5 CCOC(=O)CC(O)=O T4773 [0,0,0,0,0,0|1,0,0]=1 3 B8R0.5 CCOC(=O)CC([O-])=O T22328 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.2 CCC(C)CC(O)=O T19122 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.2 CCC(O)CC(O)=O T19121 [1,0,0,0,0,0|1,0,2]=4 6 B7R0.2 COC(=O)CC(C)=O T4851 [1,0,0,0,0,0|0,0,0]=1 7 B9R0.6 CCOC(=O)C(Cl)C(C)=O T26408 [0,1,0,0,0,0|0,0,0]=1 8 B9R1.66 CC1(O)CCOC(=O)C1 T1353 [0,0,0,1,0,0|0,0,2]=3 9 B7R0.5 CC/C=C(\C)C(O)=O T8052 [0,0,0,0,1,0|3,0,0]=4 10 B7R0.5 CCCC(=O)C(O)=O T13484 [0,0,0,0,1,0|2,0,0]=3 11 B7R0.5 CCOC(=O)C(C)=O T8030 [0,0,0,0,1,0|0,0,0]=1 12 B9R0.48 CCOC(=O)/C=C/C(O)=O TN6813 [0,0,0,0,0,1|1,0,1]=3 13 B6R0.1 COC(=O)CCN T8097 [2,0,0,0,0,0|1,0,1]=4 14 B6R0.2 CC(=O)CC([O-])=O T13528 [2,0,0,0,0,0|0,0,1]=3 15 B6R0.2 CC(=O)CC([O-])=O T4854 [2,0,0,0,0,0|0,0,1]=3 16 B6R0.2 CC(C)=CC(O)=O T5305 [2,0,0,0,0,0|1,0,1]=4 17 B6R0.2 CC(C)CC(O)=O T5609 [2,0,0,0,0,0|1,0,1]=4 18 B6R0.2 CC(CC(O)=O)N TN6756 [2,0,0,0,0,0|1,0,1]=4 19 B6R0.2 CC(O)CC(O)=O T4947 [2,0,0,0,0,0|0,0,2]=4 20 B6R0.2 CN(C)CC(O)=O T4120 [2,0,0,0,0,0|2,0,0]=4 21 B6R0.2 C[C@@H](O)CC(O)=O T5248 [2,0,0,0,0,0|0,0,2]=4 22 B6R0.2 C[C@H](O)CC(O)=O T13979 [2,0,0,0,0,0|0,0,2]=4 23 B6R0.2 OC(=O)CC(O)=O T5291 [2,0,0,0,0,0|1,0,0]=3 24 B6R0.2 [O-]C(=O)CC([O-])=O T28870 [2,0,0,0,0,0|1,0,1]=4 25 B6R0.4 CCOCC(O)=O T37501 [2,0,0,0,0,0|1,0,0]=3 26 B6R0.4 COCCC(O)=O T20899 [2,0,0,0,0,0|1,0,1]=4 27 B6R0.6 CCC/C=C/C=O T8099 [2,0,0,0,0,0|1,0,1]=4 28 B8R0.19 CCC(C)CC(=O)CC TN3128 [1,1,0,0,0,0|1,0,1]=4 29 B8R0.19 COC(=O)CC(=O)OC T5695 [1,1,0,0,0,0|0,0,0]=2 30 B8R0.7 CCCCCCC(C)=O TN6693 [1,1,0,0,0,0|1,0,1]=4 31 B8R0.7 NCCOCCC(O)=O T14222 [1,1,0,0,0,0|1,0,1]=4 32 B8R0.7 OC(=O)CCOCCBr T14783 [1,1,0,0,0,0|1,0,1]=4 33 B8R0.7 OCCOCCC(O)=O T15510 [1,1,0,0,0,0|1,0,1]=4 34 B10R0.26 CCOC(=O)CC(=C)C(O)=O T9511 [0,1,0,0,0,1|1,0,0]=3 35 B10R0.26 CCOC(=O)CC(=O)C([O-])=O T34673 [0,1,0,0,0,1|1,0,0]=3 36 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C T31711 [0,1,0,0,0,1|1,0,1]=4 37 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C T31711L [0,1,0,0,0,1|1,0,1]=4 38 B10R0.96 CC(C)CC(=O)NCC(O)=O T5245 [0,1,0,0,0,1|2,0,0]=4 39 B10R0.35 CCOC(=O)[C@@H](N)[C@@H](C)CC T31710 [0,2,0,0,0,0|1,0,1]=4 40 B8R1.4 O=C1CCNC(=O)N1 T4886 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.18 CC1OC(C)=CC1=O T22309 [1,0,0,1,0,0|0,0,2]=4 42 B8R1.18 CN1CC(=O)NC1=O T5236 [1,0,0,1,0,0|2,0,0]=4 43 B8R1.18 O=C1NC(CN1C)=O T28222 [1,0,0,1,0,0|2,0,0]=4 44 B10R1.64 CC(=O)NC1CCSC1=O T0316 [0,0,0,1,0,1|0,1,0]=3 45 B10R1.64 CC(NC1CCSC1=O)=O T6807 [0,0,0,1,0,1|0,1,0]=3 46 B10R1.64 NC(=O)CN1CCCC1=O T0426 [0,0,0,1,0,1|2,0,0]=4 47 B10R1.475 CCC1(C)CC(=O)NC1=O T0728 [0,1,0,1,0,0|2,0,0]=4 48 B10R1.329 C1(OC(CC(O1)=O)=O)(C)C T21221 [0,1,0,1,0,0|1,0,0]=3 49 B6R0.3 CCC(=O)C(O)=O T5060 [1,0,0,0,1,0|1,0,0]=3 50 B6R0.3 OC(=O)C(=O)CBr T5882 [1,0,0,0,1,0|2,0,0]=4 51 B6R0.3 OCC(=O)C(O)=O T19365 [1,0,0,0,1,0|2,0,0]=4