0 B14R0.351 CC(C)(CO)C(O)C(=O)NCCC(O)=O Amb17749051 [0,0,0,0,0,0|0,0,0]=0 1 B14R0.351 CC(C)(CO)C(O)C(=O)NCCC(O)=O Amb22350195 [0,0,0,0,0,0|0,0,0]=0 2 B14R0.351 CC(C)(CO)C(O)C(=O)NCCC([O-])=O Amb22001059 [0,0,0,0,0,0|0,0,1]=1 3 B14R0.351 OCC(C(C(=O)NCCC(=O)O)O)(C)C Amb17595973 [0,0,0,0,0,0|0,0,0]=0 4 B14R0.351 OCC([C@H](C(=O)NCCC(=O)O)O)(C)C Amb10241342 [0,0,0,0,0,0|0,0,0]=0 5 B14R0.351 OCC([C@H](C(=O)NCCC(=O)[O-])O)(C)C Amb17619117 [0,0,0,0,0,0|0,0,1]=1 6 B13R0.255 CCC(C)C(C)C(=O)NCCC(O)=O Amb25387400 [1,0,0,0,0,0|2,0,0]=3 7 B13R0.1422 CC(C(=O)NCCC(O)=O)C(C)(C)C Amb25387588 [1,0,0,0,0,0|1,0,0]=2 8 B15R0.1220 CC(C)(CO)C(O)C(=O)NCCS(O)(=O)=O Amb22349861 [0,1,0,0,0,0|1,0,0]=2 9 B15R0.1219 CC(C)(CO)C(O)C(=O)NCCCC([O-])=O Amb22492207 [0,0,0,0,0,1|0,0,1]=2 10 B15R0.1219 CC(C)(CO)[C@@H](O)C(=O)NCCCC([O-])=O Amb22799973 [0,0,0,0,0,1|0,0,1]=2 11 B12R0.686 CC(C)[C@@H](N)C(=O)NCCC(O)=O Amb19059724 [2,0,0,0,0,0|1,0,0]=3 12 B12R0.686 CC(O)C(N)C(=O)NCCC(O)=O Amb22350341 [2,0,0,0,0,0|1,0,0]=3 13 B12R0.140 CC(=O)CCNC(=O)OC(C)(C)C Amb17205168 [2,0,0,0,0,0|2,0,0]=4 14 B12R0.140 CC(C)(C)OC(=O)NCCC(=C)O Amb24496570 [2,0,0,0,0,0|2,0,0]=4 15 B12R0.140 CC(C)(C)OC(=O)NCCC(=O)F Amb24073358 [2,0,0,0,0,0|2,0,0]=4 16 B12R0.140 CC(C)(C)OC(=O)NNCC(O)=O Amb18129835 [2,0,0,0,0,0|2,0,0]=4 17 B12R0.140 O=C(CC(C)(C)C)NCCC(=O)O Amb1133472 [2,0,0,0,0,0|0,0,0]=2 18 B12R0.140 O=C(NC(C)(C)C)CCCC(=O)O Amb1839811 [2,0,0,0,0,0|2,0,0]=4 19 B12R0.140 O=C(OC(C)(C)C)CCCC(=O)O Amb16232622 [2,0,0,0,0,0|2,0,0]=4 20 B12R0.140 O=C(OC(C)(C)C)NCCC(=O)N Amb10608820 [2,0,0,0,0,0|2,0,0]=4 21 B12R0.140 O=C(OC(C)(C)C)NCCC(=O)O Amb1154596 [2,0,0,0,0,0|1,0,0]=3 22 B12R0.140 O=C(OC(C)(C)C)NOCC(=O)O Amb1994930 [2,0,0,0,0,0|2,0,0]=4 23 B14R0.21 CC(CC)C(N)C(=O)NCCC(=O)OC Amb24770601 [1,1,0,0,0,0|2,0,0]=4 24 B14R0.2137 CC(C(CC)CC)C(=O)NCCC(O)=O Amb25617865 [1,1,0,0,0,0|2,0,0]=4 25 B14R0.2137 CCC(CO)N(C)C(=O)NCCC(O)=O Amb25520621 [1,1,0,0,0,0|2,0,0]=4 26 B14R0.1576 CCCC(C)(C)NC(=O)NCCC(O)=O Amb25391830 [1,1,0,0,0,0|2,0,0]=4 27 B14R0.3114 CC(CC)(CC)NC(=O)NCCC(O)=O Amb24775283 [1,1,0,0,0,0|2,0,0]=4 28 B14R0.19 COC(=O)CCNC(=O)[C@@H](N)C(C)(C)C Amb24770616 [1,1,0,0,0,0|1,0,0]=3 29 B16R0.18603 [2H][13C]([2H])(CC([O-])=O)NC(=O)[C@@H](O)C(C)(C)CO Amb19133592 [0,2,0,0,0,0|0,0,1]=3 30 B14R1.14388 CC1C(C)C(C)N(CCC(O)=O)C1=O Amb24585492 [1,0,0,1,0,0|2,0,0]=4 31 B14R1.4226 CC(=O)CCN1CCC(C)(C)CC1=O Amb24373435 [1,0,0,1,0,0|2,0,0]=4 32 B14R1.4226 CC1(C)CC(=O)C(CC1)CCC(O)=O Amb24521767 [1,0,0,1,0,0|2,0,0]=4 33 B14R1.11834 CCC1(CC1)NC(=O)NCCC(O)=O Amb25616607 [1,0,0,1,0,0|2,0,0]=4 34 B14R1.14181 CC1(C)CC(=O)N(CCC(O)=O)C1=O Amb25793442 [1,0,0,1,0,0|0,0,2]=4 35 B14R1.12 CC(C)(C)C1CC(CCC1=O)C(O)=O Amb24566134 [1,0,0,1,0,0|2,0,0]=4 36 B14R1.12 CC(C)(C)N1CC(CNC1=O)C(O)=O Amb25083340 [1,0,0,1,0,0|2,0,0]=4 37 B14R1.12 CC(C)(C)[C@@H]1C[C@@H](CCC1=O)C(O)=O Amb25201496 [1,0,0,1,0,0|2,0,0]=4 38 B14R1.12 CC(C)(C)[C@@H]1C[C@H](CCC1=O)C(O)=O Amb25274944 [1,0,0,1,0,0|2,0,0]=4 39 B14R1.310 CC(C)(CO)N1CC(CC1=O)C(O)=O Amb20414228 [0,0,0,1,1,0|2,0,0]=4 40 B14R1.3347 CC1(C)CCCC1C(=O)NCC(O)=O Amb24605021 [0,0,0,1,1,0|2,0,0]=4 41 B12R0.88 C[C@@H](CC)[C@H](N)C(=O)NCC(O)=O Amb18324097 [1,0,0,0,1,0|2,0,0]=4 42 B14R0.642 CCC(C)C(C)NC(=O)NCCC(O)=O Amb24771207 [1,0,0,0,0,1|2,0,0]=4 43 B14R0.1847 CC(C)(CF)NC(=O)NCCCC(O)=O Amb24996928 [1,0,0,0,0,1|2,0,0]=4 44 B14R0.1847 CCC(C)(C)NC(=O)NCCCC(O)=O Amb24770456 [1,0,0,0,0,1|2,0,0]=4 45 B14R0.1889 CCC(C)(C)CNC(=O)NCCC(O)=O Amb24773714 [1,0,0,0,0,1|1,0,0]=3 46 B14R0.1889 CSC(C)(C)CNC(=O)NCCC(O)=O Amb25392275 [1,0,0,0,0,1|2,0,0]=4 47 B14R0.1422 CC(C)(O)CC(O)C(=O)NCCC([O-])=O Amb22167601 [1,0,0,0,0,1|0,0,1]=3 48 B14R0.1435 CC(=O)NCCNC(=O)[C@@H](N)C(C)(C)C Amb24770225 [1,0,0,0,0,1|2,0,0]=4