0 B7R0.16 C=C(C)[C@@H](N)C(=O)O 4357-5-R0 [0,0,0,0,0,0|1,0,3]=4 1 B7R0.16 CC(C)C(F)C(=O)O 2121-3-0K [0,0,0,0,0,0|1,0,1]=2 2 B7R0.16 C[C@H](O)[C@H](N)C(=O)O 4157-1-44 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.2 CC(=O)OC(C)Cl 2123-5-21 [1,0,0,0,0,0|3,0,0]=4 4 B6R0.3 CCC(F)C(=O)O 2121-3-0L [1,0,0,0,0,0|1,0,1]=3 5 B6R0.3 NC(CF)C(=O)O 4157-3-01 [1,0,0,0,0,0|2,0,1]=4 6 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O 4157-1-0Y [0,1,0,0,0,0|1,0,1]=3 7 B8R0.18 CC(C)=C(C#N)C(=O)O 4337-1-08 [0,1,0,0,0,0|1,0,1]=3 8 B8R1.31 CN1CC[C@@H]1C(=O)O 4H21-1-R6 [0,0,0,1,0,0|2,0,1]=4 9 B8R1.31 CN1CC[C@H]1C(=O)O 4H21-1-S6 [0,0,0,1,0,0|2,0,1]=4 10 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O 4H21-1-AR [0,0,0,1,0,0|1,0,1]=3 11 B8R1.54 NC(C(=O)O)C1CC1 4257-1-23 [0,0,0,1,0,0|1,0,1]=3 12 B8R1.54 N[C@H](C(=O)O)C1CC1 4257-1-S8 [0,0,0,1,0,0|1,0,1]=3 13 B8R0.23 CC(=O)C(=O)OC(C)C 2129-1-0H [0,0,0,0,0,1|1,0,0]=2 14 B8R0.23 CC(C)NC(=O)C(=O)O 4157-1-54 [0,0,0,0,0,1|0,0,0]=1 15 B5R0.1 O=C(O)\C=C\Br 2321-9-E0 [2,0,0,0,0,0|1,0,1]=4 16 B5R0.5 CC(C)C(C)O 2102-1-03 [2,0,0,0,0,0|1,0,1]=4 17 B7R0.2 CC(C)CC(=O)CBr 2117-9-09 [1,1,0,0,0,0|1,0,1]=4 18 B7R0.2 CC(C)NC(=O)CBr 4148-9-0A [1,1,0,0,0,0|2,0,0]=4 19 B7R0.2 CC(CCl)CC(=O)Cl 2116-5-20 [1,1,0,0,0,0|1,0,1]=4 20 B7R0.5 NCCC(F)C(=O)O 4157-3-06 [1,1,0,0,0,0|1,0,1]=4 21 B7R0.10 CN[C@H](C)C(=O)OC 4158-5-RJ [1,1,0,0,0,0|2,0,0]=4 22 B7R0.10 COC(=O)[C@H](C)CO 2129-1-RC [1,1,0,0,0,0|2,0,0]=4 23 B9R0.11 CC(C)CC(C)(O)C(=O)O 2129-1-0Z [0,1,0,0,0,1|0,0,2]=4 24 B9R0.11 CC(C)S(=O)(=O)CC(=O)O 6163-1-0E [0,1,0,0,0,1|1,0,0]=3 25 B9R0.6 C=C(C)C(=O)C(=O)OCC 2329-1-14 [0,2,0,0,0,0|0,0,2]=4 26 B9R0.6 CCOC(=O)[C@@H](N)C(C)C 4158-1-56 [0,2,0,0,0,0|1,0,1]=4 27 B9R0.28 COC(=O)C(C)(N)C(C)C 4158-1-0X [0,2,0,0,0,0|1,0,1]=4 28 B9R0.72 CNC(C(=O)O)C(C)(C)O 4157-1-56 [0,2,0,0,0,0|1,0,1]=4 29 B9R0.80 CC(C)(O)C(F)(F)C(=O)O 2129-3-45 [0,2,0,0,0,0|1,0,1]=4 30 B7R1.2 CC1COC(=O)N1 4H56-1-0P2 [1,0,0,1,0,0|1,0,0]=3 31 B7R1.12 CC1CC1C(N)=O 4248-1-12 [1,0,0,1,0,0|1,0,1]=4 32 B7R1.12 C[C@@H]1C[C@H]1C(=O)O 2221-1-31 [1,0,0,1,0,0|0,0,1]=3 33 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 2221-1-12 [1,0,0,1,0,0|0,0,1]=3 34 B7R1.16 CC1(C)CC(=O)C1 2217-1-0K [1,0,0,1,0,0|1,0,1]=4 35 B7R1.4 O=C1OCC[C@@H]1O 2H29-1-S0 [1,0,0,1,0,0|0,0,2]=4 36 B7R1.17 CC1(C)CCC1=O 2217-1-0L [1,0,0,1,0,0|1,0,1]=4 37 B7R1.18 O=C(O)C1CCO1 2H21-1-68 [1,0,0,1,0,0|0,0,2]=4 38 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 4H56-5-W8 [0,0,0,1,0,1|1,0,1]=4 39 B9R1.69 CN1CCC(=O)NC1=O 4H18-1-33 [0,0,0,1,0,1|2,0,0]=4 40 B9R1.69 O=C1CCC(Br)C(=O)N1 4H48-9-99 [0,0,0,1,0,1|2,0,0]=4 41 B9R1.112 NC(CC1CC1)C(=O)O 4257-1-26 [0,0,0,1,0,1|1,0,1]=4 42 B9R1.112 N[C@@H](CC1CC1)C(=O)O 4257-1-S7 [0,0,0,1,0,1|1,0,1]=4 43 B9R1.112 N[C@H](CC1CC1)C(=O)O 4257-1-R7 [0,0,0,1,0,1|1,0,1]=4 44 B9R1.112 O=C(O)[C@H](O)CC1CC1 2229-1-R4 [0,0,0,1,0,1|0,0,2]=4 45 B9R1.164 CC1(C)C=C(C(=O)O)C1 2421-1-09 [0,0,0,1,0,1|1,0,0]=3 46 B9R1.96 CCC1CN[C@@H]1C(=O)O 4H21-1-S7 [0,1,0,1,0,0|1,0,1]=4 47 B9R1.101 COC(=O)C(Cl)=C1CC1 2223-5-0A [0,1,0,1,0,0|1,0,1]=4 48 B9R1.101 CON(C)C(=O)C1CC1 4256-1-24 [0,1,0,1,0,0|2,0,0]=4 49 B9R1.110 N[C@@H](C(=O)O)C1CCC1 4257-1-R4 [0,1,0,1,0,0|1,0,1]=4 50 B9R1.110 N[C@@H](C(=O)O)C1COC1 4H57-1-74 [0,1,0,1,0,0|1,0,1]=4 51 B9R1.110 N[C@H](C(=O)O)C1CCC1 4257-1-S4 [0,1,0,1,0,0|1,0,1]=4 52 B9R1.110 N[C@H](C(=O)O)C1COC1 4H57-1-S4 [0,1,0,1,0,0|1,0,1]=4 53 B9R1.52 CC1CN(C)[C@@H]1C(=O)O 4H21-1-SC [0,1,0,1,0,0|1,0,1]=4 54 B9R1.166 CC1(C)CN[C@@H]1C(=O)O 4H21-1-SA [0,1,0,1,0,0|1,0,1]=4 55 B9R2.143 O=C(O)C1CC12CC2 2221-1-46 [0,0,0,2,0,0|1,0,1]=4