0 B7R0.5 CC/C=C(\C)C(O)=O T8052 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.5 CCCC(=O)C(O)=O T13484 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.5 CCCC(C)C(O)=O T5685 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.5 CCCC(N)C(O)=O T11054 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.5 CCC[C@H](N)C(O)=O T4788 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.5 CCOC(=O)C(C)=O T8030 [0,0,0,0,0,0|0,0,0]=0 6 B6R0.1 COC(=O)CCN T8097 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.3 C/C=C(/C)C(O)=O T3328 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.3 C/C=C(\C)C(O)=O T5542 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.3 CC(=O)C(/C)=N/O T2176 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.3 CCC(=O)C(O)=O T5060 [1,0,0,0,0,0|1,0,0]=2 11 B6R0.3 CCC(N)C(O)=O TN6936 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.3 CCC(O)C([O-])=O T4738 [1,0,0,0,0,0|1,0,2]=4 13 B6R0.3 CC[C@@H](N)C(O)=O T19302 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.3 CC[C@H](N)C(O)=O T5306 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.3 OC(=O)C(=O)CBr T5882 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.3 OCC(=O)C(O)=O T19365 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.4 CCOCC(O)=O T37501 [1,0,0,0,0,0|1,0,1]=3 18 B6R0.4 NC/C=C/C(O)=O T23414 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.4 OC/C=C/C(O)=O T23473 [1,0,0,0,0,0|3,0,0]=4 20 B8R0.2 CCC(C)C(=O)C(O)=O T8264 [0,1,0,0,0,0|2,0,0]=3 21 B8R0.8 CCCOC(=O)C(C)=C T20387 [0,1,0,0,0,0|1,0,0]=2 22 B8R0.8 CSCCC(=O)C([O-])=O T33519 [0,1,0,0,0,0|2,0,0]=3 23 B8R0.23 CC(C)CC(=O)C(O)=O T5071 [0,1,0,0,0,0|2,0,0]=3 24 B8R1.5 CC1CCCCC1=O T36789 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.5 NC1CCCNC1=O T13495 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.18 C=C1CC(=O)OC1=O T5321 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.18 CC1=CC(=O)OC1=O TN6957 [0,0,0,1,0,0|2,0,1]=4 28 B8R1.18 CC1=C[C@@H](O)NC1=O T32272 [0,0,0,1,0,0|3,0,0]=4 29 B8R0.5 CCOC(=O)CC(C)=O T15254 [0,0,0,0,0,1|0,0,0]=1 30 B8R0.5 CCOC(=O)CC(C)O T19314 [0,0,0,0,0,1|0,0,2]=3 31 B8R0.5 CCOC(=O)CC(O)=O T4773 [0,0,0,0,0,1|1,0,0]=2 32 B8R0.5 CCOC(=O)CC([O-])=O T22328 [0,0,0,0,0,1|1,0,0]=2 33 B5R0.1 C/C=C/C(O)=O T5301 [2,0,0,0,0,0|1,0,1]=4 34 B5R0.1 CC(C)=CCO T4747 [2,0,0,0,0,0|2,0,0]=4 35 B5R0.1 CCCC([O-])=O T1393 [2,0,0,0,0,0|1,0,1]=4 36 B5R0.1 CCOC(N)=O T0051 [2,0,0,0,0,0|1,0,0]=3 37 B5R0.3 CCC(C)C=O T5090 [2,0,0,0,0,0|1,0,1]=4 38 B5R0.5 CC(=C)C(N)=O TN7113 [2,0,0,0,0,0|2,0,0]=4 39 B5R0.5 CC(=O)C(O)=O T4804 [2,0,0,0,0,0|0,0,0]=2 40 B5R0.5 CC(=O)C([O-])=O T7717 [2,0,0,0,0,0|0,0,1]=3 41 B5R0.5 CC(O)C(O)=O TN6945 [2,0,0,0,0,0|0,0,2]=4 42 B5R0.5 CN(C)C(C)=O T19439 [2,0,0,0,0,0|2,0,0]=4 43 B5R0.5 C[C@@H](N)C(O)=O T4811 [2,0,0,0,0,0|1,0,1]=4 44 B5R0.5 C[C@@H](O)C(O)=O T10943 [2,0,0,0,0,0|0,0,2]=4 45 B5R0.5 C[C@H](N)C(O)=O TJO2729 [2,0,0,0,0,0|1,0,1]=4 46 B5R0.5 C[C@H](N)C(O)=O TN1003 [2,0,0,0,0,0|1,0,1]=4 47 B5R0.5 C[C@H](O)C(O)=O T4845 [2,0,0,0,0,0|0,0,2]=4 48 B5R0.5 NC(=O)C([O-])=O T19831 [2,0,0,0,0,0|1,0,1]=4 49 B5R0.5 O=C(O)[C@H](C)N T34103 [2,0,0,0,0,0|1,0,1]=4 50 B5R0.5 OC(=O)C(O)=O T2O2680 [2,0,0,0,0,0|1,0,0]=3 51 B5R0.5 OC(=O)C(O)=O T5064 [2,0,0,0,0,0|1,0,0]=3 52 B7R0.3 COC(=O)CCCN T22364 [1,1,0,0,0,0|2,0,0]=4 53 B7R0.10 CCC(O)C(=O)CC T20376 [1,1,0,0,0,0|1,0,1]=4 54 B7R0.16 CC(C)C(=O)C(O)=O T5232 [1,1,0,0,0,0|1,0,0]=3 55 B7R0.4 OC(=O)COCCBr T14786 [1,1,0,0,0,0|1,0,1]=4 56 B9R0.6 CCOC(=O)C(Cl)C(C)=O T26408 [0,1,0,0,0,1|0,0,0]=2 57 B9R0.7 CC(O)CNC(=O)C(C)=C T12137 [0,2,0,0,0,0|2,0,0]=4 58 B7R1.3 O=C1CCCCO1 T4821 [1,0,0,1,0,0|0,0,1]=3 59 B7R1.3 O=C1NCCC=C1 TN3081 [1,0,0,1,0,0|1,0,1]=4 60 B7R1.3 O=C1OCCCO1 T21150 [1,0,0,1,0,0|1,0,0]=3 61 B7R1.4 C=C1CCOC1=O T5320 [1,0,0,1,0,0|0,0,1]=3 62 B7R1.4 CC1OCCC1=O T8050 [1,0,0,1,0,0|1,0,1]=4 63 B7R1.4 CN1CCCC1=O T5851 [1,0,0,1,0,0|2,0,0]=4 64 B9R1.66 CC1(O)CCOC(=O)C1 T1353 [0,0,0,1,0,1|0,0,2]=4 65 B9R1.37 CC1OC(=O)C(O)=C1C TN7031 [0,1,0,1,0,0|0,0,1]=3 66 B9R1.37 CC1OC(C)=C(O)C1=O T5547 [0,1,0,1,0,0|2,0,0]=4 67 B9R1.106 C[C@@]1(O)[C@H](O)COC1=O TN2750 [0,1,0,1,0,0|0,0,2]=4 68 B9R0.48 CCOC(=O)/C=C/C(O)=O TN6813 [0,0,0,0,0,2|1,0,0]=3