0 B12R0.42 CC(C(=O)CCCCCC(=O)O)N CHEBI:15830 [0,0,0,0,0,0|0,0,0]=0 1 B12R0.42 CC(C(=O)CCCCCC(=O)[O-])N CHEBI:12266 [0,0,0,0,0,0|0,0,1]=1 2 B12R0.42 CC(C(=O)CCCCCC(=O)[O-])[NH3+] CHEBI:57532 [0,0,0,0,0,0|0,0,2]=2 3 B12R0.42 CC(C(CCCCCC(=O)O)N)N CHEBI:2247 [0,0,0,0,0,0|1,0,1]=2 4 B12R0.42 CC(C(CCCCCC(=O)[O-])N)N CHEBI:17830 [0,0,0,0,0,0|1,0,2]=3 5 B12R0.42 CC(C(CCCCCC(=O)[O-])[NH3+])[NH3+] CHEBI:58500 [0,0,0,0,0,0|1,0,3]=4 6 B12R0.42 C[C@@H]([C@@H](CCCCCC(=O)O)N)N CHEBI:42085 [0,0,0,0,0,0|1,0,1]=2 7 B11R0.30 C(CCC(=O)O)CCNC(=N)N CHEBI:74123 [1,0,0,0,0,0|2,0,1]=4 8 B11R0.30 C[C@H](CCCCCCC(=O)O)O CHEBI:78839 [1,0,0,0,0,0|1,0,1]=3 9 B13R0.51 C[C@H](C(=O)NCC(=O)NCC(=O)O)N CHEBI:73837 [0,1,0,0,0,0|2,0,1]=4 10 B13R1.350 C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N CHEBI:73393 [0,0,0,1,0,0|1,0,0]=2 11 B11R0.29 C(CCC(=O)O)CC(=O)C(=O)O CHEBI:72700 [0,0,0,0,1,0|2,0,1]=4 12 B10R0.4 C(CCCC(=O)O)CCCO CHEBI:79162 [2,0,0,0,0,0|1,0,1]=4 13 B10R0.4 CCCCCCCCC(=O)C CHEBI:77929 [2,0,0,0,0,0|1,0,1]=4 14 B10R0.4 CCCCCCCCC(=O)O CHEBI:29019 [2,0,0,0,0,0|0,0,1]=3 15 B10R0.4 CCCCCCCCC(=O)[O-] CHEBI:32361 [2,0,0,0,0,0|0,0,2]=4 16 B10R0.74 CCCCCCCC(=O)CC CHEBI:87309 [2,0,0,0,0,0|1,0,1]=4 17 B10R0.97 C(CCC(=O)O)CCC(=O)O CHEBI:30531 [2,0,0,0,0,0|1,0,0]=3 18 B10R0.97 C(CCC(=O)O)CCC(=O)[O-] CHEBI:17774 [2,0,0,0,0,0|1,0,0]=3 19 B10R0.97 C(CCC(=O)[O-])CCC(=O)[O-] CHEBI:36165 [2,0,0,0,0,0|1,0,1]=4 20 B10R0.97 CC(=O)NCCCCC(=O)O CHEBI:2024 [2,0,0,0,0,0|1,0,0]=3 21 B10R0.97 CC(=O)NCCCCC(=O)[O-] CHEBI:79193 [2,0,0,0,0,0|1,0,1]=4 22 B10R0.97 CC(C)CCCCCC(=O)O CHEBI:37108 [2,0,0,0,0,0|1,0,1]=4 23 B10R0.97 C[C@H](CCCCCC(=O)O)O CHEBI:78949 [2,0,0,0,0,0|0,0,2]=4 24 B12R0.44 CC(C)CCCC(C)CCC(=O)O CHEBI:63864 [1,1,0,0,0,0|1,0,1]=4 25 B12R0.270 C[C@H](CCCC[C@H](CC(=O)O)O)O CHEBI:79224 [1,1,0,0,0,0|1,0,1]=4 26 B12R1.368 C1C[C@H](N(C1)C(=O)CN)C(=O)O CHEBI:70744 [1,0,0,1,0,0|1,0,0]=3 27 B12R1.368 CCC(=O)N1CCCC1C(=O)O CHEBI:86343 [1,0,0,1,0,0|1,0,0]=3 28 B14R1.1004 C1C[C@H](N(C1)C(=O)[C@H](CO)N)C(=O)O CHEBI:74820 [0,1,0,1,0,0|1,0,0]=3 29 B14R1.1004 C1C[C@H](N(C1)C(=O)[C@H](CS)N)C(=O)O CHEBI:73461 [0,1,0,1,0,0|1,0,0]=3 30 B14R1.1004 C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O CHEBI:3380 [0,1,0,1,0,0|2,0,0]=4 31 B10R0.55 COC(=O)CCCCC(=O)O CHEBI:70855 [1,0,0,0,1,0|1,0,0]=3 32 B12R0.268 C[C@H](CCCCCCCC(=O)O)O CHEBI:78951 [1,0,0,0,0,1|1,0,1]=4