0 B10R1.194 O=C(O)[C@H]1NC[C@@H](O)[C@H]1O 4259AF [0,0,0,0,0,0|2,0,2]=4 1 B9R1.35 CN1CCC(C(=O)O)C1 W6581 [1,0,0,0,0,0|2,0,0]=3 2 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 4596AF [1,0,0,0,0,0|2,1,0]=4 3 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 4247AH [1,0,0,0,0,0|1,0,2]=4 4 B9R1.35 O=C1CN[C@H](C(=O)O)C1 6009AB [1,0,0,0,0,0|1,0,0]=2 5 B9R1.35 O=C1CN[C@H](C(=O)O)C1 8316AF [1,0,0,0,0,0|1,0,0]=2 6 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O 7397AJ [1,0,0,0,0,0|1,0,1]=3 7 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 4857AB [1,0,0,0,0,0|1,0,1]=3 8 B9R1.41 O=C(O)C1CCCC1=O 4522AE [1,0,0,0,0,0|1,0,2]=4 9 B9R0.1 C=CC(=O)OCCC(=O)O 7898AJ [0,0,1,0,0,0|1,0,2]=4 10 B9R0.13 CCCCC(CC)C(=O)[O-] O131 [0,0,1,0,0,0|1,0,2]=4 11 B9R0.13 CNC(CCCN)C(=O)O 0555AP [0,0,1,0,0,0|2,0,1]=4 12 B9R0.13 CN[C@@H](CCCN)C(=O)O Z5680 [0,0,1,0,0,0|2,0,1]=4 13 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O Z5970 [0,0,1,0,0,0|2,0,1]=4 14 B9R0.79 CC(C(=O)O)[C@@H](N)C(=O)O 5973AB [0,0,1,0,0,0|2,0,0]=3 15 B9R0.79 NC(C(=O)O)C(N)C(=O)O E645 [0,0,1,0,0,0|3,0,0]=4 16 B9R0.79 NC(C(=O)O)C(N)C(=O)O Z5348 [0,0,1,0,0,0|3,0,0]=4 17 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O 1525AB [0,0,1,0,0,0|3,0,0]=4 18 B9R0.79 O=C(O)C(O)C(O)C(=O)O V0484 [0,0,1,0,0,0|3,0,0]=4 19 B9R0.79 O=C(O)C(S)C(S)C(=O)O 9660AJ [0,0,1,0,0,0|3,0,0]=4 20 B9R0.79 O=C(O)[C@@H](O)[C@@H](O)C(=O)O 7225AF [0,0,1,0,0,0|3,0,0]=4 21 B9R0.79 O=C(O)[C@H](Br)[C@H](Br)C(=O)O 9097AB [0,0,1,0,0,0|3,0,0]=4 22 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O 5598AL [0,0,1,0,0,0|3,0,0]=4 23 B8R0.28 CN(C)CCCC(=O)O Y1714 [1,0,1,0,0,0|2,0,0]=4 24 B8R0.28 O=C([O-])COCC(=O)O 7181AF [1,0,1,0,0,0|2,0,0]=4 25 B8R0.15 CCCC(NC)C(=O)O 0624AP [1,0,1,0,0,0|1,0,1]=4 26 B8R0.9 CCN(C)CCC(=O)O 8627AC [1,0,1,0,0,0|2,0,0]=4 27 B8R0.9 NCC(=O)CCC(=O)O 1451AA [1,0,1,0,0,0|1,0,0]=3 28 B8R0.9 NCC(=O)NCC(=O)O 7998AL [1,0,1,0,0,0|2,0,0]=4 29 B8R0.23 CC(CC(=O)Cl)C(=O)Cl E091 [1,0,1,0,0,0|2,0,0]=4 30 B8R0.2 CCC(C)[C@H](Cl)C(=O)O Z6070 [1,0,1,0,0,0|1,0,1]=4 31 B8R0.18 CC(C)[C@@H](CN)C(=O)O 0446AB [1,0,1,0,0,0|1,0,1]=4 32 B8R1.1 C=CC1COC(=O)C1 3286AH [2,0,0,0,0,0|2,0,0]=4 33 B8R1.50 CC1CCC(=O)N1C 0337AQ [2,0,0,0,0,0|1,0,1]=4 34 B10R0.133 CCCCC(N)(CC)C(=O)O 1471AJ [0,1,1,0,0,0|1,0,1]=4 35 B10R1.14 COC(=O)[C@H]1CC[C@H](O)C1 8420AH [1,1,0,0,0,0|0,0,2]=4 36 B10R1.470 O=C1CC(O)(C(=O)O)CO1 0234AP [1,1,0,0,0,0|1,0,0]=3 37 B10R1.149 COC(=O)C1CCCC1O N538 [1,1,0,0,0,0|1,0,1]=4 38 B12R1.24 COC(=O)[C@@H]1CCN[C@H](C)[C@@H]1C 8552AH [0,1,0,0,0,1|1,0,1]=4 39 B10R1.13 O=C(O)C1CCC(F)CC1 5665AD [0,0,1,1,0,0|1,0,1]=4 40 B10R1.408 COC(=O)[C@H]1O[C@@H]1C(=O)O 9814AJ [0,0,1,1,0,0|2,0,0]=4 41 B10R1.61 C[C@@H]1NCCC[C@@H]1C(=O)O 5119AH [0,0,1,1,0,0|1,0,1]=4 42 B10R1.61 C[C@@H]1NCCC[C@H]1C(=O)O 5118AH [0,0,1,1,0,0|1,0,1]=4 43 B10R1.361 O=C(O)[C@H]1CC[C@H]1C(=O)O 7241AA [0,0,1,1,0,0|1,0,0]=3 44 B10R2.32 [C@@H]12C=CCN1C(=O)OC2 5840AE [1,0,0,1,0,0|1,0,1]=4 45 B10R2.344 O=C(O)C12CC1CCN2 5311AA [1,0,0,1,0,0|1,0,1]=4 46 B8R1.23 C=C1CC(C(=O)O)C1 Y3148 [1,0,0,0,1,0|1,0,0]=3 47 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 9958AB [1,0,0,0,0,1|0,0,0]=2