0 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O BC209913 [0,0,0,0,0,0|0,0,0]=0 1 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O BC640487 [0,0,0,0,0,0|4,0,0]=4 2 B8R0.23 C([C@@H](C(=O)O)O)C(=O)O BC676689 [1,0,0,0,0,0|2,1,0]=4 3 B8R0.23 C([C@H](C(=O)O)O)C(=O)O BC208474 [1,0,0,0,0,0|2,1,0]=4 4 B8R0.23 CC(=O)CC(C(=O)O)O BC657254 [1,0,0,0,0,0|1,1,0]=3 5 B10R0.23 CC(=O)NC(COC)C(=O)O BC204992 [0,1,0,0,0,0|0,1,0]=2 6 B10R1.113 C1C(NC(=O)CN1)C(=O)O BC600006 [0,0,0,1,0,0|1,0,0]=2 7 B10R1.113 C1CC(NC(=O)C1)C(=O)O BC215498 [0,0,0,1,0,0|1,0,0]=2 8 B10R1.113 C1[C@H](NC(=O)CN1)C(=O)O BC600023 [0,0,0,1,0,0|1,0,0]=2 9 B10R1.359 CC1(NC(CS1)C(=O)O)C BC205685 [0,0,0,1,0,0|1,0,1]=3 10 B10R1.359 CC1(NC(CS1)C(=O)O)C BC600048 [0,0,0,1,0,0|1,0,1]=3 11 B10R1.359 CC1(NC(CS1)C(=O)O)C BC600235 [0,0,0,1,0,0|1,0,1]=3 12 B7R0.6 CC(=O)CCC(=O)C BC676318 [2,0,0,0,0,0|2,0,0]=4 13 B7R0.6 CC(=O)CCC(=O)O BC216409 [2,0,0,0,0,0|1,0,0]=3 14 B7R0.6 CC(=O)CNC(=O)C BC220001 [2,0,0,0,0,0|1,0,0]=3 15 B7R0.6 CC(=O)\C=C\C(=O)O BC214213 [2,0,0,0,0,0|1,0,1]=4 16 B9R0.11 CC(=O)OC(C)(C)C(=O)Br BC203938 [1,1,0,0,0,0|2,0,0]=4 17 B9R0.11 CC(=O)OC(C)(C)C(=O)Cl BC215380 [1,1,0,0,0,0|2,0,0]=4 18 B9R0.42 COC(=O)CC(C(=O)O)N BC215082 [1,1,0,0,0,0|2,0,0]=4 19 B9R0.42 COC(=O)C[C@H](C(=O)O)N BC204898 [1,1,0,0,0,0|2,0,0]=4 20 B9R0.79 [C@@H]([C@@H](C(=O)O)S)(C(=O)O)S BC219408 [1,1,0,0,0,0|2,0,0]=4 21 B11R0.115 CCC(C)[C@@H](C(=O)O)NC(=O)C BC254136 [0,2,0,0,0,0|1,0,0]=3 22 B11R0.56 CCOC(=O)C(C#N)NC(=O)C BC220431 [0,2,0,0,0,0|1,0,1]=4 23 B9R1.6 C1CCNC(C1)C(=O)O BC200281 [1,0,0,1,0,0|1,0,1]=4 24 B9R1.6 C1CCNC(C1)C(=O)O BC226798 [1,0,0,1,0,0|1,0,1]=4 25 B9R1.6 C1CCN[C@H](C1)C(=O)O BC208985 [1,0,0,1,0,0|1,0,1]=4 26 B9R1.6 C1CNC(CN1)C(=O)O BC200169 [1,0,0,1,0,0|1,0,1]=4 27 B9R1.6 C1CN[C@@H](CN1)C(=O)O BC204205 [1,0,0,1,0,0|1,0,1]=4 28 B9R1.6 C1CN[C@@H](CN1)C(=O)O BC204999 [1,0,0,1,0,0|1,0,1]=4 29 B9R1.6 C1COCC(N1)C(=O)O BC217600 [1,0,0,1,0,0|0,1,1]=4 30 B9R1.6 C1COC[C@H](N1)C(=O)O BC222631 [1,0,0,1,0,0|0,1,1]=4 31 B9R1.35 C1C(N=C(S1)N)C(=O)O BC200189 [1,0,0,1,0,0|1,0,1]=4 32 B9R1.35 C1CC(=O)CC1C(=O)O BC223612 [1,0,0,1,0,0|2,0,0]=4 33 B9R1.35 C1CC(=O)N[C@@H]1C(=O)N BC683023 [1,0,0,1,0,0|2,0,0]=4 34 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O BC689086 [1,0,0,1,0,0|1,0,0]=3 35 B9R1.35 C1CC(=O)N[C@@H]1C(=O)[O-] BC223766 [1,0,0,1,0,0|1,0,1]=4 36 B9R1.35 C1CC(=O)N[C@H]1C(=O)O BC204542 [1,0,0,1,0,0|1,0,0]=3 37 B9R1.35 C1CC(=O)O[C@H]1C(=O)O BC225732 [1,0,0,1,0,0|2,0,0]=4 38 B9R1.35 CC1CC[C@H](N1)C(=O)O BC209434 [1,0,0,1,0,0|1,0,1]=4 39 B9R1.168 C1CC1(C(=O)O)C(=O)O BC211365 [0,0,0,1,1,0|2,0,0]=4 40 B9R1.168 CC(=O)C1(CC1)C(=O)O BC654781 [0,0,0,1,1,0|1,0,0]=3 41 B11R1.74 C1C(CC(=O)CC1=O)C(=O)O BC677522 [0,1,0,1,0,0|1,1,0]=4 42 B11R1.23 COC(=O)C1CNCC(=O)N1 BC600239 [0,1,0,1,0,0|1,0,0]=3 43 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 BC600240 [0,1,0,1,0,0|1,0,0]=3 44 B11R1.23 COC(=O)[C@H]1CNCC(=O)N1 BC600238 [0,1,0,1,0,0|1,0,0]=3 45 B9R0.7 CC(=O)OC[C@@H](C(=O)O)N BC657158 [1,0,0,0,0,1|2,0,0]=4