0 B8R0.8 C(=O)([C@@H](N)CCCN)O T0737 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.8 CCCCC(C)C(O)=O T8080 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.8 CCCCC(O)C(O)=O T5224 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.8 CCCC[C@H](N)C(O)=O T4765 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.8 CCCOC(=O)C(C)=C T20387 [0,0,0,0,0,0|2,0,0]=2 5 B8R0.8 COCCC(N)C(O)=O T33328 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.8 CSCCC(=O)C([O-])=O T33519 [0,0,0,0,0,0|2,0,0]=2 7 B8R0.8 CSCCC(N)C(O)=O TJO2742 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.8 CSCCC(O)C(O)=O T20705 [0,0,0,0,0,0|2,0,2]=4 9 B8R0.8 CSCCC(O)C([O-])=O T5082 [0,0,0,0,0,0|2,0,2]=4 10 B8R0.8 CSCC[C@H](N)C(O)=O T32390 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.8 CSCC[C@H](N)C(O)=O T4844 [0,0,0,0,0,0|3,0,1]=4 12 B8R0.8 C[75Se]CC[C@H](N)C(O)=O T34608 [0,0,0,0,0,0|3,0,1]=4 13 B8R0.8 C[Se]CCC(N)C(O)=O T1658 [0,0,0,0,0,0|3,0,1]=4 14 B8R0.8 C[Se]CC[C@H](N)C(O)=O T5372 [0,0,0,0,0,0|3,0,1]=4 15 B8R0.8 NCCC[C@@H](N)C(O)=O T0551 [0,0,0,0,0,0|3,0,1]=4 16 B8R0.8 NCCC[C@H](N)C(O)=O T2O2701 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.3 COC(=O)CCCN T22364 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.4 NCCCCC(O)=O T5089 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.5 CC/C=C(\C)C(O)=O T8052 [1,0,0,0,0,0|2,0,1]=4 20 B7R0.5 CCCC(=O)C(O)=O T13484 [1,0,0,0,0,0|1,0,0]=2 21 B7R0.5 CCCC(C)C(O)=O T5685 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.5 CCCC(N)C(O)=O T11054 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.5 CCC[C@H](N)C(O)=O T4788 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.5 CCOC(=O)C(C)=O T8030 [1,0,0,0,0,0|1,0,0]=2 25 B9R0.7 CC(O)CNC(=O)C(C)=C T12137 [0,1,0,0,0,0|2,0,0]=3 26 B9R0.7 O=C([O-])C(CCC([O-])=O)=O T9259 [0,1,0,0,0,0|2,0,1]=4 27 B9R0.7 OC(=O)CCC(=O)C(O)=O T21024 [0,1,0,0,0,0|2,0,1]=4 28 B9R0.7 OC(=O)CCC(=O)C(O)=O T5980 [0,1,0,0,0,0|2,0,1]=4 29 B9R0.7 OC(=O)CCC(=O)C([O-])=O T4920 [0,1,0,0,0,0|2,0,1]=4 30 B9R0.7 [O-]C(=O)CCC(=O)C([O-])=O T10664 [0,1,0,0,0,0|2,0,1]=4 31 B9R0.47 CCCCCC(C)C(O)=O T8008 [0,1,0,0,0,0|2,0,1]=4 32 B9R0.47 CCCCOC(=O)C(Cl)Cl T30633 [0,1,0,0,0,0|2,0,1]=4 33 B9R0.47 CCSCC[C@@H](C(O)=O)N T20128 [0,1,0,0,0,0|2,0,1]=4 34 B9R0.47 NCCCCC(N)C(O)=O T19290 [0,1,0,0,0,0|2,0,1]=4 35 B9R0.47 NCCCC[C@@H](N)C(O)=O T21054 [0,1,0,0,0,0|2,0,1]=4 36 B9R0.47 NCCCC[C@@H](N)C(O)=O T33065 [0,1,0,0,0,0|2,0,1]=4 37 B9R0.47 NCCCC[C@H](N)C(N)=O T32814 [0,1,0,0,0,0|2,0,1]=4 38 B9R0.47 NCCCC[C@H](N)C(O)=O T21053 [0,1,0,0,0,0|2,0,1]=4 39 B9R0.47 NCCCC[C@H](N)C(O)=O T21055 [0,1,0,0,0,0|2,0,1]=4 40 B9R0.47 NCCCC[C@H](N)C(O)=O T2A2498 [0,1,0,0,0,0|2,0,1]=4 41 B9R0.47 NCCCC[C@H](N)C(O)=O T2A2498L2 [0,1,0,0,0,0|2,0,1]=4 42 B9R0.47 NCCCC[C@H](N)C(O)=O T32815 [0,1,0,0,0,0|2,0,1]=4 43 B9R0.47 NCCCC[C@H](N)C(O)=O T32819 [0,1,0,0,0,0|2,0,1]=4 44 B9R0.47 NCCCC[C@H](N)C(O)=O T33047 [0,1,0,0,0,0|2,0,1]=4 45 B9R0.47 NCCCC[C@H](N)C(O)=O T33050 [0,1,0,0,0,0|2,0,1]=4 46 B9R0.47 NCCCC[C@H](N)C(O)=O T33051 [0,1,0,0,0,0|2,0,1]=4 47 B9R0.47 NCCCC[C@H](N)C(O)=O T33054 [0,1,0,0,0,0|2,0,1]=4 48 B9R0.47 NCCCC[C@H](N)C(O)=O T33056 [0,1,0,0,0,0|2,0,1]=4 49 B9R0.47 NCCCC[C@H](N)C(O)=O T33057 [0,1,0,0,0,0|2,0,1]=4 50 B9R0.47 NCCCC[C@H](N)C(O)=O T33060 [0,1,0,0,0,0|2,0,1]=4 51 B9R0.47 NCCCC[C@H](N)C(O)=O T33061 [0,1,0,0,0,0|2,0,1]=4 52 B9R0.47 NCCCC[C@H](N)C(O)=O T33063 [0,1,0,0,0,0|2,0,1]=4 53 B9R0.47 NCCCC[C@H](N)C(O)=O T33089 [0,1,0,0,0,0|2,0,1]=4 54 B9R0.47 NCCCC[C@H](N)C(O)=O T8071 [0,1,0,0,0,0|2,0,1]=4 55 B9R0.47 NCCCC[C@H]([NH3+])C(O)=O T2A2498L [0,1,0,0,0,0|2,0,1]=4 56 B9R0.47 N[C@@H](CCCCN)C(O)=O T24153 [0,1,0,0,0,0|2,0,1]=4 57 B9R0.47 N[C@@H](CCCCN)C(O)=O T2A2498L3 [0,1,0,0,0,0|2,0,1]=4 58 B9R1.6 OC(=O)C1=CCCNC1 T7557 [0,0,0,1,0,0|3,0,0]=4 59 B9R1.6 OC(=O)C1=CCCNC1 TN1717 [0,0,0,1,0,0|3,0,0]=4 60 B9R1.6 OC(=O)C1=CCNCC1 T11684 [0,0,0,1,0,0|3,0,0]=4 61 B9R1.6 OC(=O)C1CCCCC1 T5563 [0,0,0,1,0,0|2,0,1]=4 62 B9R1.6 OC(=O)C1CCCCN1 T4819 [0,0,0,1,0,0|2,0,1]=4 63 B9R1.6 OC(=O)[C@@H]1CCCCN1 T4762 [0,0,0,1,0,0|2,0,1]=4 64 B9R1.6 OC(=O)[C@H]1CCCCN1 T13634 [0,0,0,1,0,0|2,0,1]=4 65 B9R1.35 OC1CCC(=C1)C(O)=O T24146 [0,0,0,1,0,0|3,0,0]=4 66 B9R1.163 NC1(CCCC1)C(O)=O T9626 [0,0,0,1,0,0|2,0,1]=4 67 B6R0.1 COC(=O)CCN T8097 [2,0,0,0,0,0|2,0,0]=4 68 B6R0.4 CCOCC(O)=O T37501 [2,0,0,0,0,0|1,0,1]=4 69 B6R0.4 COCCC(O)=O T20899 [2,0,0,0,0,0|1,0,1]=4 70 B6R0.4 CSCCC(O)=O T5285 [2,0,0,0,0,0|1,0,1]=4 71 B6R0.4 NCCCC(O)=O T0508 [2,0,0,0,0,0|1,0,1]=4 72 B6R0.6 CCC/C=C/C=O T8099 [2,0,0,0,0,0|0,0,1]=3 73 B6R0.3 CCC(=O)C(O)=O T5060 [2,0,0,0,0,0|1,0,0]=3 74 B6R0.3 OC(=O)C(=O)CBr T5882 [2,0,0,0,0,0|2,0,0]=4 75 B6R0.3 OCC(=O)C(O)=O T19365 [2,0,0,0,0,0|2,0,0]=4 76 B8R0.9 COC(=O)CCC(C)=O TN4548 [1,1,0,0,0,0|1,0,1]=4 77 B8R0.19 CCC(C)CC(=O)CC TN3128 [1,1,0,0,0,0|0,0,1]=3 78 B8R0.5 CCCC(C)OC(N)=O T32052 [1,1,0,0,0,0|2,0,0]=4 79 B8R0.7 CC(=O)NCCCCN T7508 [1,1,0,0,0,0|1,0,0]=3 80 B8R0.7 CCCCCCC(C)=O TN6693 [1,1,0,0,0,0|0,0,1]=3 81 B8R0.7 NCCCCCC(O)=O T0881 [1,1,0,0,0,0|1,0,1]=4 82 B8R0.28 CC(=O)CC/C=C(/C)C TN6832 [1,1,0,0,0,0|1,0,1]=4 83 B8R0.2 CCC(C)C(=O)C(O)=O T8264 [1,1,0,0,0,0|1,0,0]=3 84 B8R0.23 CC(C)CC(=O)C(O)=O T5071 [1,1,0,0,0,0|1,0,0]=3 85 B10R0.96 CC(=O)CC(=O)CCC(O)=O T8273 [0,1,0,0,0,1|1,0,1]=4 86 B10R0.83 CCCCOC(=O)C(=C)C#N T15220 [0,2,0,0,0,0|1,0,1]=4 87 B10R0.83 NCCCC[C@H](N)C(=O)CCl T33052 [0,2,0,0,0,0|1,0,1]=4 88 B10R0.26 CCOC(=O)CC(=O)C([O-])=O T34673 [0,2,0,0,0,0|1,0,1]=4 89 B10R0.98 CN(C)CCOC(=O)C(C)=C T31739 [0,2,0,0,0,0|2,0,0]=4 90 B10R0.98 OC(=O)CCCC(=O)C(O)=O T4921 [0,2,0,0,0,0|1,0,1]=4 91 B8R1.1 CCC1CCC(=O)O1 T8098 [1,0,0,1,0,0|1,0,1]=4 92 B8R1.1 OC[C@H]1CCC(=O)C1 TN2951 [1,0,0,1,0,0|1,0,1]=4 93 B8R1.5 CC1CCCCC1=O T36789 [1,0,0,1,0,0|0,0,1]=3 94 B8R1.22 O=C1CCCCCN1 T20386 [1,0,0,1,0,0|1,0,0]=3 95 B8R1.22 O=C1NCCCCC1 T20195 [1,0,0,1,0,0|1,0,0]=3 96 B8R1.22 O=C1NCCCCC1 T32363 [1,0,0,1,0,0|1,0,0]=3 97 B8R1.4 CC1CC=CC(=O)O1 TN3177 [1,0,0,1,0,0|1,0,1]=4 98 B8R1.4 CC1CCN=C(N)C1 T21700 [1,0,0,1,0,0|2,0,0]=4 99 B10R1.190 OC(=O)C(=O)CC1CC1=C T25572 [0,1,0,1,0,0|1,0,1]=4 100 B10R1.205 CC(=C)C(=O)OCC1CO1 T20009 [0,1,0,1,0,0|2,0,0]=4 101 B10R1.15 COC(=O)C1=CCCNC1 T5805 [0,1,0,1,0,0|2,0,0]=4 102 B10R1.15 COC(=O)C1CCCCC1 T22366 [0,1,0,1,0,0|1,0,1]=4