0 B7R0.16 CC(C(=O)O)C(=O)O LS41650 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.2 B(CC(C)C)(O)O LS40457 [1,0,0,0,0,0|1,0,1]=3 2 B6R0.2 CC(C)CC(C)N LS41472 [1,0,0,0,0,0|2,0,1]=4 3 B6R0.2 C[C@@H](CC(=O)O)N LS30205 [1,0,0,0,0,0|1,0,0]=2 4 B6R0.2 C[C@H](CC(=O)O)N LS30206 [1,0,0,0,0,0|1,0,0]=2 5 B6R0.3 B(C(C)CC)(O)O LS11154 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.3 C=C[C@@H](C(=O)O)N LS30533 [1,0,0,0,0,0|0,0,2]=3 7 B6R0.3 CCC(=O)C(=O)O LS41883 [1,0,0,0,0,0|1,0,1]=3 8 B6R0.3 CCC(=O)C(=O)[O-] LS41889 [1,0,0,0,0,0|1,0,2]=4 9 B6R0.3 CCN(C)C(=O)Cl LS40081 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.3 CC[C@@H](C(=O)O)O LS30082 [1,0,0,0,0,0|1,0,0]=2 11 B8R0.27 [C@@H](C(=O)O)(C(F)(F)F)N LS41961 [0,1,0,0,0,0|2,0,0]=3 12 B5R0.1 B(CCC)(O)O LS11148 [2,0,0,0,0,0|1,0,1]=4 13 B5R0.1 C(CCl)C(=O)Cl LS40026 [2,0,0,0,0,0|2,0,0]=4 14 B5R0.1 C(CO)C(=O)O LS40008 [2,0,0,0,0,0|1,0,0]=3 15 B5R0.1 CC#CC(=O)O LS40078 [2,0,0,0,0,0|0,0,2]=4 16 B5R0.1 CC(CCO)N LS41893 [2,0,0,0,0,0|1,0,1]=4 17 B5R0.1 CCC[C@@H](C)O LS30259 [2,0,0,0,0,0|1,0,1]=4 18 B5R0.1 CCC[C@H](C)O LS30258 [2,0,0,0,0,0|1,0,1]=4 19 B5R0.1 C[C@@H](CCO)N LS30207 [2,0,0,0,0,0|1,0,1]=4 20 B5R0.1 C[C@H](CCO)N LS30127 [2,0,0,0,0,0|1,0,1]=4 21 B5R0.3 C(C(CO)N)O LS41161 [2,0,0,0,0,0|1,0,1]=4 22 B5R0.3 CCC(CO)N LS40333 [2,0,0,0,0,0|0,0,1]=3 23 B5R0.3 CC[C@@H](CO)O LS30248 [2,0,0,0,0,0|1,0,1]=4 24 B5R0.3 CC[C@H](CO)O LS30249 [2,0,0,0,0,0|1,0,1]=4 25 B5R0.5 B(C(C)C)(O)O LS11150 [2,0,0,0,0,0|2,0,0]=4 26 B5R0.5 CC(=O)C(=O)O LS41153 [2,0,0,0,0,0|1,0,1]=4 27 B5R0.5 CC(C(=O)O)Br LS40410 [2,0,0,0,0,0|1,0,0]=3 28 B5R0.5 C[C@@H](C(=O)O)Br LS30293 [2,0,0,0,0,0|1,0,0]=3 29 B5R0.5 C[C@@H](C(=O)O)Cl LS30117 [2,0,0,0,0,0|1,0,0]=3 30 B7R0.2 CC(C)NC(=O)CBr LS40529 [1,1,0,0,0,0|2,0,0]=4 31 B7R0.2 COC(=O)CC(=O)O LS41603 [1,1,0,0,0,0|1,0,1]=4 32 B7R0.2 C[C@@H](CC(=O)OC)N LS30208 [1,1,0,0,0,0|1,0,0]=3 33 B7R0.2 C[C@@H](CC(=O)OC)O LS30199 [1,1,0,0,0,0|1,0,0]=3 34 B7R0.2 C[C@H](CC(=O)OC)N LS30209 [1,1,0,0,0,0|1,0,0]=3 35 B7R0.2 C[C@H](CC(=O)OC)O LS30200 [1,1,0,0,0,0|1,0,0]=3 36 B7R0.9 C(C(=O)O)C(F)(F)F LS40953 [1,1,0,0,0,0|2,0,0]=4 37 B7R0.5 C(CN)C(C(=O)O)N LS40104 [1,1,0,0,0,0|0,0,0]=2 38 B7R0.5 CCC[C@@H](C(=O)O)N LS30304 [1,1,0,0,0,0|0,0,0]=2 39 B7R0.13 CCC(C)(C)C(=O)Cl LS41205 [1,1,0,0,0,0|2,0,0]=4 40 B7R0.13 CCC(C)(C)C(=O)O LS41203 [1,1,0,0,0,0|1,0,0]=3 41 B7R0.15 CCC(CC)C(=O)[O-] LS00031 [1,1,0,0,0,0|1,0,1]=4 42 B9R0.23 CC(C)C[C@@H](C(=O)OC)N LS30189 [0,1,0,0,0,1|0,0,0]=2 43 B9R0.25 COC(=O)C(C(F)(F)F)N LS41963 [0,2,0,0,0,0|2,0,0]=4 44 B7R1.2 C1C(OC(=O)O1)F LS40377 [1,0,0,1,0,0|2,0,0]=4 45 B7R1.2 C1[C@@H](CNC1=O)O LS30539 [1,0,0,1,0,0|2,0,0]=4 46 B7R1.2 C1[C@@H](COC1=O)O LS30540 [1,0,0,1,0,0|1,0,0]=3 47 B7R1.2 C[C@@H]1COC(=O)O1 LS30247 [1,0,0,1,0,0|1,0,0]=3 48 B7R1.2 C[C@H]1COC(=O)O1 LS30246 [1,0,0,1,0,0|1,0,0]=3 49 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O LS30221 [1,0,0,1,0,0|1,0,0]=3 50 B7R1.4 C1COC(=O)C1Br LS40518 [1,0,0,1,0,0|1,0,0]=3 51 B7R1.18 C1C(CN1)C(=O)O LS41152 [1,0,0,1,0,0|2,0,0]=4 52 B7R1.19 C1CC1(C(=O)O)N LS41411 [1,0,0,1,0,0|0,0,0]=2 53 B7R1.19 C1CC1(C(=O)O)N LS41412 [1,0,0,1,0,0|0,0,0]=2 54 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O LS30143 [0,0,0,1,0,1|1,0,0]=3 55 B9R1.138 CC1(CNC(=O)C1O)C LS40982 [0,1,0,1,0,0|2,0,0]=4 56 B7R0.6 CC(=O)CCC(=O)O LS41171 [1,0,0,0,0,1|1,0,1]=4