0 B7R0.16 C=C(C)[C@@H](N)C(=O)O 4357-5-R0 [0,0,0,0,0,0|0,0,2]=2 1 B7R0.16 CC(C)C(F)C(=O)O 2121-3-0K [0,0,0,0,0,0|1,0,0]=1 2 B7R0.16 C[C@H](O)[C@H](N)C(=O)O 4157-1-44 [0,0,0,0,0,0|1,0,0]=1 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|1,0,0]=2 5 B6R0.3 CNC(C)C(C)C 3131-1-0B [1,0,0,0,0,0|3,0,0]=4 6 B6R0.3 NC(CF)C(=O)O 4157-3-01 [1,0,0,0,0,0|1,0,0]=2 7 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O 4157-1-0Y [0,1,0,0,0,0|0,0,0]=1 8 B8R0.18 CC(C)=C(C#N)C(=O)O 4337-1-08 [0,1,0,0,0,0|0,0,3]=4 9 B8R1.31 CN1CC[C@@H]1C(=O)O 4H21-1-R6 [0,0,0,1,0,0|2,0,0]=3 10 B8R1.31 CN1CC[C@H]1C(=O)O 4H21-1-S6 [0,0,0,1,0,0|2,0,0]=3 11 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O 4H21-1-AR [0,0,0,1,0,0|0,0,0]=1 12 B8R1.54 NC(C(=O)O)C1CC1 4257-1-23 [0,0,0,1,0,0|0,0,0]=1 13 B8R1.54 N[C@H](C(=O)O)C1CC1 4257-1-S8 [0,0,0,1,0,0|0,0,0]=1 14 B8R0.23 C=C(C)C[C@H](N)C(=O)O 4357-1-S3 [0,0,0,0,0,1|0,0,2]=3 15 B8R0.23 CC(=O)C(=O)OC(C)C 2129-1-0H [0,0,0,0,0,1|2,0,1]=4 16 B8R0.23 CC(C)C(N)CN(C)C 3132-1-0B [0,0,0,0,0,1|3,0,0]=4 17 B8R0.23 CC(C)NC(=O)C(=O)O 4157-1-54 [0,0,0,0,0,1|1,0,1]=3 18 B8R0.23 CC(C)[C@H](N)CN(C)C 3132-5-S1 [0,0,0,0,0,1|3,0,0]=4 19 B5R0.1 C=CCC(C)N 3230-5-0A [2,0,0,0,0,0|2,0,0]=4 20 B5R0.1 NCCC(N)=O 4148-5-0C [2,0,0,0,0,0|2,0,0]=4 21 B5R0.5 CC(C)C(C)O 2102-1-03 [2,0,0,0,0,0|1,0,0]=3 22 B7R0.2 CC(C)CC(=O)CBr 2117-9-09 [1,1,0,0,0,0|1,0,0]=3 23 B7R0.2 CC(C)NC(=O)CBr 4148-9-0A [1,1,0,0,0,0|2,0,0]=4 24 B7R0.2 CC(CCl)CC(=O)Cl 2116-5-20 [1,1,0,0,0,0|1,0,0]=3 25 B7R0.2 O=C(O)CC(=O)CCl 2129-5-0F [1,1,0,0,0,0|1,0,1]=4 26 B7R0.5 CC(CCCl)C(=O)Cl 2116-5-21 [1,1,0,0,0,0|2,0,0]=4 27 B7R0.5 CCCC(C)C(C)=O 2117-1-0J [1,1,0,0,0,0|2,0,0]=4 28 B7R0.5 NCCC(F)C(=O)O 4157-3-06 [1,1,0,0,0,0|1,0,0]=3 29 B7R0.10 CN[C@H](C)C(=O)OC 4158-5-RJ [1,1,0,0,0,0|2,0,0]=4 30 B7R0.10 COC(=O)C(O)CN 4158-5-50 [1,1,0,0,0,0|2,0,0]=4 31 B7R0.10 COC(=O)[C@H](C)CO 2129-1-RC [1,1,0,0,0,0|2,0,0]=4 32 B7R0.14 C[C@@H](CO)C(C)(C)O 2103-1-S2 [1,1,0,0,0,0|1,0,1]=4 33 B9R0.11 CC(C)CC(C)(O)C(=O)O 2129-1-0Z [0,1,0,0,0,1|1,0,0]=3 34 B9R0.11 CC(C)S(=O)(=O)CC(=O)O 6163-1-0E [0,1,0,0,0,1|2,0,0]=4 35 B9R0.6 CCOC(=O)[C@@H](N)C(C)C 4158-1-56 [0,2,0,0,0,0|0,0,0]=2 36 B9R0.28 COC(=O)C(C)(N)C(C)C 4158-1-0X [0,2,0,0,0,0|0,0,0]=2 37 B9R0.72 CNC(C(=O)O)C(C)(C)O 4157-1-56 [0,2,0,0,0,0|0,0,0]=2 38 B9R0.80 CC(C)(O)C(F)(F)C(=O)O 2129-3-45 [0,2,0,0,0,0|1,0,0]=3 39 B7R1.2 CC1COC(=O)N1 4H56-1-0P2 [1,0,0,1,0,0|1,0,0]=3 40 B7R1.2 NC1CNC(=O)C1 4H48-1-6A [1,0,0,1,0,0|2,0,0]=4 41 B7R1.2 N[C@@H]1CNC(=O)C1 4H48-5-S0 [1,0,0,1,0,0|2,0,0]=4 42 B7R1.12 CC(C)C1ON1C 4H56-1-03P [1,0,0,1,0,0|2,0,0]=4 43 B7R1.12 CC1CC1C(N)=O 4248-1-12 [1,0,0,1,0,0|1,0,0]=3 44 B7R1.12 C[C@@H]1C[C@H]1C(=O)O 2221-1-31 [1,0,0,1,0,0|0,0,0]=2 45 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 2221-1-12 [1,0,0,1,0,0|0,0,0]=2 46 B7R1.16 CC1(C)CC(=O)C1 2217-1-0K [1,0,0,1,0,0|1,0,0]=3 47 B7R1.16 CC1(C)CC(O)C1 2202-1-0F [1,0,0,1,0,0|1,0,1]=4 48 B7R1.16 CC1(N)CC(=O)C1 4256-5-0F [1,0,0,1,0,0|2,0,0]=4 49 B7R1.20 NC(=S)CC1CC1 7267-1-05 [1,0,0,1,0,0|1,1,0]=4 50 B7R1.4 N[C@@H]1CCC[C@@H]1O 4256-5-30 [1,0,0,1,0,0|1,0,1]=4 51 B7R1.4 N[C@@H]1COC[C@@H]1O 4H56-5-8A [1,0,0,1,0,0|1,0,1]=4 52 B7R1.4 N[C@@H]1COC[C@H]1O 4H56-5-8E [1,0,0,1,0,0|1,0,1]=4 53 B7R1.4 O=C1CCCC1Br 2215-9-00 [1,0,0,1,0,0|2,0,0]=4 54 B7R1.4 O=C1OCC[C@@H]1O 2H29-1-S0 [1,0,0,1,0,0|1,0,0]=3 55 B7R1.18 NC(=O)C1CCN1 4H48-5-2R [1,0,0,1,0,0|1,0,0]=3 56 B7R1.18 O=C(O)C1CCO1 2H21-1-68 [1,0,0,1,0,0|1,0,0]=3 57 B7R1.18 O=C(O)C1CSC1 6H66-1-63 [1,0,0,1,0,0|2,0,0]=4 58 B7R1.19 CC1(C(N)=O)CC1 4248-1-0B [1,0,0,1,0,0|2,0,0]=4 59 B7R1.22 NC(CO)C1CC1 4256-5-54 [1,0,0,1,0,0|0,0,1]=3 60 B7R1.22 N[C@@H](CO)C1CC1 4256-5-R2 [1,0,0,1,0,0|0,0,1]=3 61 B7R1.22 N[C@H](CO)C1CC1 4256-5-S2 [1,0,0,1,0,0|0,0,1]=3 62 B9R1.35 CN1CC[C@H](C(=O)O)C1 4H58-1-ST [0,0,0,1,0,1|2,0,0]=4 63 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 4H56-5-W8 [0,0,0,1,0,1|0,0,0]=2 64 B9R1.35 [C@H]1(N)CN[C@@H](C(=O)O)C1 4H57-5-X3 [0,0,0,1,0,1|1,0,0]=3 65 B9R1.112 NC(CC1CC1)C(=O)O 4257-1-26 [0,0,0,1,0,1|0,0,0]=2 66 B9R1.112 N[C@@H](CC1CC1)C(=O)O 4257-1-S7 [0,0,0,1,0,1|0,0,0]=2 67 B9R1.112 N[C@H](CC1CC1)C(=O)O 4257-1-R7 [0,0,0,1,0,1|0,0,0]=2 68 B9R1.112 O=C(O)[C@H](O)CC1CC1 2229-1-R4 [0,0,0,1,0,1|1,0,0]=3 69 B9R1.164 CC1(C)C=C(C(=O)O)C1 2421-1-09 [0,0,0,1,0,1|1,0,1]=4 70 B9R1.164 CC1(F)CC(C(=O)O)C1 2221-3-21 [0,0,0,1,0,1|2,0,0]=4 71 B9R1.164 CC1(O)CC(C(=O)O)C1 2229-1-57 [0,0,0,1,0,1|2,0,0]=4 72 B9R1.164 C[C@]1(F)C[C@@H](C(=O)O)C1 2221-3-Z1 [0,0,0,1,0,1|2,0,0]=4 73 B9R1.164 C[C@]1(F)C[C@H](C(=O)O)C1 2221-3-E1 [0,0,0,1,0,1|2,0,0]=4 74 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 4257-5-00 [0,1,0,1,0,0|2,0,0]=4 75 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O 4H58-3-1H [0,1,0,1,0,0|1,0,0]=3 76 B9R1.81 COC(=O)[C@H]1CC[C@@H]1N 4258-5-E1 [0,1,0,1,0,0|2,0,0]=4 77 B9R1.96 CCC1CN[C@@H]1C(=O)O 4H21-1-S7 [0,1,0,1,0,0|0,0,0]=2 78 B9R1.96 CCN1CC[C@H]1C(=O)O 4H21-1-SD [0,1,0,1,0,0|2,0,0]=4 79 B9R1.110 N[C@@H](C(=O)O)C1CCC1 4257-1-R4 [0,1,0,1,0,0|0,0,0]=2 80 B9R1.110 N[C@@H](C(=O)O)C1COC1 4H57-1-74 [0,1,0,1,0,0|0,0,0]=2 81 B9R1.110 N[C@H](C(=O)O)C1CCC1 4257-1-S4 [0,1,0,1,0,0|0,0,0]=2 82 B9R1.110 N[C@H](C(=O)O)C1COC1 4H57-1-S4 [0,1,0,1,0,0|0,0,0]=2 83 B9R1.52 CC1CN(C)[C@@H]1C(=O)O 4H21-1-SC [0,1,0,1,0,0|0,0,0]=2 84 B9R1.166 CC1(C)CN[C@@H]1C(=O)O 4H21-1-SA [0,1,0,1,0,0|0,0,0]=2 85 B9R2.143 O=C(O)C1CC12CC2 2221-1-46 [0,0,0,2,0,0|1,0,0]=3 86 B9R0.7 CC(C)=CC[C@@H](N)C(=O)O 4357-1-R0 [0,0,0,0,0,2|0,0,1]=3 87 B9R0.7 CC(C)=CC[C@H](N)C(=O)O 4357-1-S0 [0,0,0,0,0,2|0,0,1]=3