0 B9R1.35 O=C(O)C1CC(O)CN1 Amb5718663 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.35 O=C1CCC(C(=O)O)N1 Amb2694994 [0,0,0,0,0,0|0,0,0]=0 2 B8R1.1 COC1CCC(=O)N1 Amb17617087 [1,0,0,0,0,0|2,0,0]=3 3 B8R1.7 O=C(O)C1CCCN1 Amb2542766 [1,0,0,0,0,0|0,0,1]=2 4 B8R1.7 O=C(O)C1CCCN1 Amb2720569 [1,0,0,0,0,0|0,0,1]=2 5 B8R1.7 O=C(O)C1NCCS1 Amb25920370 [1,0,0,0,0,0|1,0,1]=3 6 B8R0.8 CSCCC(N)C(=O)O Amb2720567 [0,0,1,0,0,0|2,0,0]=3 7 B8R0.8 CSCCC(N)C(=O)O Amb5720611 [0,0,1,0,0,0|2,0,0]=3 8 B8R0.8 NCCCC(N)C(=O)O Amb6600152 [0,0,1,0,0,0|1,0,1]=3 9 B8R0.8 NCCCC(N)C(=O)O Amb8513279 [0,0,1,0,0,0|1,0,1]=3 10 B8R0.9 COC(=O)CCC(=O)O Amb6538024 [0,0,1,0,0,0|2,0,0]=3 11 B8R0.23 CC(CC(=O)O)C(=O)O Amb1935053 [0,0,1,0,0,0|2,0,0]=3 12 B8R0.23 NC(=O)CC(N)C(=O)O Amb17749060 [0,0,1,0,0,0|3,0,0]=4 13 B8R0.23 NC(=O)CC(N)C(=O)O Amb3940760 [0,0,1,0,0,0|3,0,0]=4 14 B8R0.23 NC(CC(=O)O)C(=O)O Amb3940320 [0,0,1,0,0,0|3,0,0]=4 15 B8R0.23 NC(CC(=O)O)C(=O)O Amb6599992 [0,0,1,0,0,0|3,0,0]=4 16 B8R0.23 NC(CC(=O)O)C(=O)O Amb9825326 [0,0,1,0,0,0|3,0,0]=4 17 B8R0.23 O=C(O)CC(O)C(=O)O Amb4166311 [0,0,1,0,0,0|3,0,0]=4 18 B8R0.23 O=C(O)CC(O)C(=O)O Amb6599993 [0,0,1,0,0,0|3,0,0]=4 19 B8R0.23 O=C(O)CC(O)C(=O)O Amb9702775 [0,0,1,0,0,0|3,0,0]=4 20 B8R0.28 O=C(O)CCCC(=O)O Amb4037276 [0,0,1,0,0,0|1,0,0]=2 21 B7R0.4 CCCCCC(=O)O Amb3939846 [1,0,1,0,0,0|1,0,1]=4 22 B7R0.4 NCCCCC(=O)O Amb3941646 [1,0,1,0,0,0|0,0,1]=3 23 B7R0.5 CCCC(N)C(=O)O Amb8514700 [1,0,1,0,0,0|0,0,1]=3 24 B7R0.5 CCCC(N)C(=O)O Amb8514701 [1,0,1,0,0,0|0,0,1]=3 25 B7R0.5 NC(CCO)C(=O)O Amb6600040 [1,0,1,0,0,0|0,0,1]=3 26 B7R0.5 NC(CCO)C(=O)O Amb8514287 [1,0,1,0,0,0|0,0,1]=3 27 B7R0.5 NC(CCS)C(=O)O Amb6600039 [1,0,1,0,0,0|0,1,0]=3 28 B7R0.6 CC(=O)CCC(=O)O Amb534169 [1,0,1,0,0,0|1,0,0]=3 29 B7R0.6 N=C(N)NCC(=O)O Amb2781642 [1,0,1,0,0,0|2,0,0]=4 30 B7R1.1 OCC1CCCN1 Amb2237182 [2,0,0,0,0,0|0,0,2]=4 31 B9R0.7 CC(=O)OCC(N)C(=O)O Amb22756697 [0,1,1,0,0,0|1,0,0]=3 32 B9R0.7 CS(=O)CCC(N)C(=O)O Amb19133021 [0,1,1,0,0,0|1,0,0]=3 33 B9R0.7 NC(=O)CCC(N)C(=O)O Amb2688618 [0,1,1,0,0,0|0,0,0]=2 34 B9R0.7 NC(CCC(=O)O)C(=O)O Amb22338524 [0,1,1,0,0,0|0,0,0]=2 35 B9R0.7 NC(CCC(=O)O)C(=O)O Amb2720565 [0,1,1,0,0,0|0,0,0]=2 36 B9R0.7 NC(CCC(=O)O)C(=O)O Amb3940322 [0,1,1,0,0,0|0,0,0]=2 37 B9R0.47 C=CCSCC(N)C(=O)O Amb22231426 [0,1,1,0,0,0|1,0,0]=3 38 B9R0.47 NCCCCC(N)C(=O)O Amb3940874 [0,1,1,0,0,0|1,0,1]=4 39 B9R1.163 [NH3+]C1(C(=O)O)CC[NH2+]C1 Amb22583868 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.74 O=C1CC(C(=O)O)NC(=O)N1 Amb6296191 [0,1,0,0,0,1|0,0,1]=3 41 B9R1.6 O=C(O)C1CCCCN1 Amb2690345 [0,0,1,1,0,0|1,0,1]=4 42 B9R1.6 O=C(O)C1CCCCN1 Amb8515100 [0,0,1,1,0,0|1,0,1]=4 43 B9R1.6 O=C(O)C1CCCCN1 Amb9703161 [0,0,1,1,0,0|1,0,1]=4 44 B9R0.55 CC(=O)CCCNC(C)=O Amb28194645 [0,0,1,0,0,1|2,0,0]=4 45 B9R0.55 NC(=O)NCCCC(=O)O Amb1104859 [0,0,1,0,0,1|0,0,0]=2 46 B9R0.55 O=C(O)CCCCC(=O)O Amb2793031 [0,0,1,0,0,1|1,0,0]=3