0 B8R1.7 O=C(O)[C@@H]1CCCN1 BBP00795 [0,0,0,0,0,0|0,0,0]=0 1 B8R1.7 O=C(O)[C@@H]1CCCN1 T2O2683 [0,0,0,0,0,0|0,0,0]=0 2 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 T2A2476 [0,1,0,0,0,0|0,0,0]=1 3 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 T4712 [0,1,0,0,0,0|0,0,0]=1 4 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 T0507 [0,1,0,0,0,0|0,0,1]=2 5 B9R1.35 O=C1CC[C@H](C(=O)O)N1 T4814 [0,1,0,0,0,0|0,0,1]=2 6 B7R0.4 CCCCCC(=O)O T3944 [0,0,1,0,0,0|1,0,0]=2 7 B7R0.4 NCCCCC(=O)O T5089 [0,0,1,0,0,0|0,0,0]=1 8 B7R0.5 CCC[C@H](N)C(=O)O T4788 [0,0,1,0,0,0|0,0,0]=1 9 B7R0.5 NC(CCS)C(=O)O T4863 [0,0,1,0,0,0|1,0,0]=2 10 B7R0.5 N[C@@H](CCO)C(=O)O T4757 [0,0,1,0,0,0|1,0,0]=2 11 B9R1.6 O=C(O)C1CCCCN1 T4819 [0,0,0,0,0,1|0,0,0]=1 12 B9R1.6 O=C(O)[C@@H]1CCCCN1 T4762 [0,0,0,0,0,1|0,0,0]=1 13 B6R0.4 CCCCC(=O)O T4792 [1,0,1,0,0,0|0,0,0]=2 14 B6R0.4 NCCCC(=O)O T0508 [1,0,1,0,0,0|0,0,0]=2 15 B6R0.6 NCCCCCN T4895 [1,0,1,0,0,0|1,0,1]=4 16 B6R0.6 OCCNCCO T4796 [1,0,1,0,0,0|1,0,1]=4 17 B6R0.3 CC(CN)C(=O)O T4887 [1,0,1,0,0,0|1,0,0]=3 18 B6R0.3 CCC(=O)C(=O)O T5060 [1,0,1,0,0,0|1,0,1]=4 19 B6R0.3 CCC(O)C(=O)[O-] T4738 [1,0,1,0,0,0|1,0,1]=4 20 B6R0.3 C\C=C(\C)C(=O)O T3328 [1,0,1,0,0,0|0,0,2]=4 21 B6R0.3 NCC(N)C(=O)O T4755 [1,0,1,0,0,0|1,0,0]=3 22 B6R0.3 N[C@@H](CO)C(=O)O T2O2730 [1,0,1,0,0,0|1,0,0]=3 23 B6R0.3 N[C@@H](CS)C(=O)O T2O2721 [1,0,1,0,0,0|1,0,0]=3 24 B6R1.2 O=C1CCCC1 T4800 [2,0,0,0,0,0|1,0,1]=4 25 B8R0.5 CCOC(=O)CC(=O)O T4773 [0,1,1,0,0,0|2,0,0]=4 26 B8R0.7 CCCCCCC(=O)O T3945 [0,1,1,0,0,0|1,0,0]=3 27 B8R0.7 N=C(N)NCCCCN T4808 [0,1,1,0,0,0|2,0,0]=4 28 B8R0.8 CCCC[C@H](N)C(=O)O T4765 [0,1,1,0,0,0|1,0,0]=3 29 B8R0.8 CSCCC(N)C(=O)O TJO2742 [0,1,1,0,0,0|2,0,0]=4 30 B8R0.8 CSCC[C@H](N)C(=O)O T4844 [0,1,1,0,0,0|2,0,0]=4 31 B8R0.8 C[Se]CCC(N)C(=O)O T1658 [0,1,1,0,0,0|2,0,0]=4 32 B8R0.8 NCCC[C@@H](N)C(=O)O T0551 [0,1,1,0,0,0|0,0,0]=2 33 B8R0.8 NCCC[C@H](N)C(=O)O T0737 [0,1,1,0,0,0|0,0,0]=2 34 B8R0.8 NCCC[C@H](N)C(=O)O T2O2701 [0,1,1,0,0,0|0,0,0]=2 35 B8R0.9 NCC(=O)CCC(=O)O T1662 [0,1,1,0,0,0|0,0,1]=3 36 B8R0.28 NC(=O)NCCC(=O)O T4919 [0,1,1,0,0,0|1,0,1]=4 37 B8R0.28 O=C(O)CCCC(=O)O T4794 [0,1,1,0,0,0|1,0,1]=4 38 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O T0063 [0,1,1,0,0,0|0,0,0]=2 39 B8R0.23 CC(=O)N[C@@H](C)C(=O)O T4839 [0,1,1,0,0,0|0,0,1]=3 40 B8R0.23 CC(C)CC(=O)C(=O)O T5071 [0,1,1,0,0,0|1,0,1]=4 41 B8R0.23 CC(C)CC(N)C(=O)O T4772 [0,1,1,0,0,0|0,0,0]=2 42 B8R0.23 CC(C)C[C@H](N)C(=O)O T3O2749 [0,1,1,0,0,0|0,0,0]=2 43 B8R0.23 NC(=O)C[C@H](N)C(=O)O T2O2774 [0,1,1,0,0,0|1,0,1]=4 44 B8R0.23 N[C@@H](CC(=O)O)C(=O)O T2O2731 [0,1,1,0,0,0|1,0,1]=4 45 B8R0.23 N[C@H](CC(=O)O)C(=O)O T4885 [0,1,1,0,0,0|1,0,1]=4 46 B10R1.113 CC1=NCCC(C(=O)O)N1 BBP04055 [0,1,0,0,0,1|0,0,1]=3 47 B10R1.113 CC1=N[C@H](C(=O)O)CCN1 T4038 [0,1,0,0,0,1|0,0,2]=4 48 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 BBP03108 [0,2,0,0,0,0|0,0,1]=3 49 B10R1.128 C[N+]1(C)CCC[C@H]1C(=O)O BBP03936 [0,2,0,0,0,0|0,0,1]=3 50 B10R1.128 C[N+]1(C)CCC[C@H]1C(=O)O T3251 [0,2,0,0,0,0|0,0,1]=3