0 B6R0.4 C=CCCC(C)Br 1300-9-21 [1,0,0,0,0,0|2,0,1]=4 1 B8R0.23 C=C(C)C[C@H](N)C(=O)O 4357-1-S3 [0,1,0,0,0,0|1,0,0]=2 2 B8R0.29 CC(C)(S)CCC(=O)O 6161-1-10 [0,1,0,0,0,0|0,1,1]=3 3 B8R0.29 CS(C)(=O)=NCC(=O)O 8169-1-0A [0,1,0,0,0,0|2,0,0]=3 4 B8R1.3 N[C@H]1CCC(=O)NC1 4H48-5-SH [0,0,0,1,0,0|2,0,1]=4 5 B8R1.3 O=C1CCC(Br)CC1 2217-9-01 [0,0,0,1,0,0|2,0,1]=4 6 B8R1.3 O=C1CCC(F)CC1 2217-3-06 [0,0,0,1,0,0|2,0,1]=4 7 B8R1.23 CC(=O)C1CC(O)C1 2229-1-0T [0,0,0,1,0,0|1,0,1]=3 8 B8R1.23 CC(C)C1CC(=O)N1 4H48-1-019 [0,0,0,1,0,0|2,0,1]=4 9 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 2221-1-30 [0,0,0,1,0,0|1,0,1]=3 10 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 4257-1-27 [0,0,0,1,0,0|1,0,1]=3 11 B8R1.23 O=C(O)C1CC(Cl)C1 2221-5-05 [0,0,0,1,0,0|1,0,1]=3 12 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 2221-3-Z2 [0,0,0,1,0,0|1,0,1]=3 13 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 2221-5-E0 [0,0,0,1,0,0|1,0,1]=3 14 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 2221-3-E2 [0,0,0,1,0,0|1,0,1]=3 15 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 2229-1-E2 [0,0,0,1,0,0|0,0,2]=3 16 B8R1.23 O=C1CC(C(F)F)C1 2217-3-01 [0,0,0,1,0,0|2,0,1]=4 17 B8R1.51 O=C1CCS(=O)(=O)C1 6H63-1-09 [0,0,0,1,0,0|1,0,1]=3 18 B5R0.1 NCCC(N)=O 4148-5-0C [2,0,0,0,0,0|2,0,0]=4 19 B5R0.1 O=C(O)\C=C\Br 2321-9-E0 [2,0,0,0,0,0|1,0,1]=4 20 B7R0.4 CNCCOC(C)=O 4133-5-03 [1,1,0,0,0,0|2,0,0]=4 21 B7R0.4 O=C(O)CCCCO 2120-1-00 [1,1,0,0,0,0|0,0,1]=3 22 B7R0.5 CCCC(C)C(C)=O 2117-1-0J [1,1,0,0,0,0|1,0,1]=4 23 B7R0.5 NCCC(F)C(=O)O 4157-3-06 [1,1,0,0,0,0|1,0,1]=4 24 B7R0.9 CS(=O)(=O)CC(N)=O 8163-1-00 [0,1,0,0,1,0|2,0,0]=4 25 B7R0.16 C=C(C)[C@@H](N)C(=O)O 4357-5-R0 [0,1,0,0,1,0|1,0,0]=3 26 B7R0.16 CC(C)C(F)C(=O)O 2121-3-0K [0,1,0,0,1,0|1,0,1]=4 27 B7R0.16 C[C@H](O)[C@H](N)C(=O)O 4157-1-44 [0,1,0,0,1,0|0,0,2]=4 28 B9R0.1 O=C(O)CCNC(=O)CBr 4158-9-04 [0,1,0,0,0,1|0,0,0]=2 29 B9R0.7 CC(C)=CC[C@@H](N)C(=O)O 4357-1-R0 [0,1,0,0,0,1|1,0,0]=3 30 B9R0.7 CC(C)=CC[C@H](N)C(=O)O 4357-1-S0 [0,1,0,0,0,1|1,0,0]=3 31 B9R0.24 COC(=O)CCS(=O)OC 6165-1-07 [0,2,0,0,0,0|1,0,0]=3 32 B9R0.48 CCOC(=O)\C=C\C(C)=O 2329-1-07 [0,2,0,0,0,0|0,0,2]=4 33 B9R0.11 CC(C)CC(C)(O)C(=O)O 2129-1-0Z [0,2,0,0,0,0|1,0,1]=4 34 B9R0.39 CNC(CC(=O)O)C(=O)O 4157-1-46 [0,2,0,0,0,0|1,0,0]=3 35 B7R1.10 COC1CC(=O)C1 2217-1-0B [1,0,0,1,0,0|2,0,0]=4 36 B7R1.10 O=C1CC(CCl)C1 2217-5-07 [1,0,0,1,0,0|1,0,1]=4 37 B7R1.12 CC1CC1C(N)=O 4248-1-12 [1,0,0,1,0,0|1,0,1]=4 38 B7R1.12 C[C@@H]1C[C@H]1C(=O)O 2221-1-31 [1,0,0,1,0,0|0,0,1]=3 39 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 2221-1-12 [1,0,0,1,0,0|0,0,1]=3 40 B7R1.17 CC1(C)CCC1=O 2217-1-0L [1,0,0,1,0,0|1,0,1]=4 41 B7R1.18 O=C(O)C1CCO1 2H21-1-68 [1,0,0,1,0,0|0,0,2]=4 42 B7R1.18 O=C(O)C1CSC1 6H66-1-63 [1,0,0,1,0,0|1,0,0]=3 43 B9R1.35 CN1CC[C@H](C(=O)O)C1 4H58-1-ST [0,0,0,1,0,1|2,0,0]=4 44 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 45 B9R1.35 O=C1CCC(C(=O)Cl)N1 4H48-5-DJ [0,0,0,1,0,1|2,0,0]=4 46 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 2229-1-R2 [0,0,0,1,0,1|0,0,0]=2 47 B9R1.35 O=C1CC[C@H](C(=O)O)C1 2229-1-S2 [0,0,0,1,0,1|0,0,0]=2 48 B9R1.35 [C@H]1(N)CN[C@@H](C(=O)O)C1 4H57-5-X3 [0,0,0,1,0,1|1,0,1]=4 49 B9R1.53 NC1CC(CC(=O)O)C1 4257-1-16 [0,0,0,1,0,1|1,0,1]=4 50 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 4257-5-12 [0,0,0,1,0,1|1,0,1]=4 51 B9R1.53 O=C(O)CC1CC(=O)C1 2229-1-0N [0,0,0,1,0,1|0,0,0]=2 52 B9R1.85 O=C(O)CCNC1CC1 4257-1-33 [0,0,0,1,0,1|1,0,1]=4 53 B9R1.166 CC1(C)CN[C@@H]1C(=O)O 4H21-1-SA [0,0,0,1,0,1|1,0,1]=4 54 B9R1.69 CN1CCC(=O)NC1=O 4H18-1-33 [0,1,0,1,0,0|2,0,0]=4 55 B9R1.82 COC(=O)C1CC(Br)C1 2223-9-05 [0,1,0,1,0,0|1,0,1]=4 56 B9R1.82 COC(=O)[C@H]1C[C@H](Br)C1 2223-9-00 [0,1,0,1,0,0|1,0,1]=4 57 B9R1.95 COC1CC(C(=O)O)C1 2221-1-37 [0,1,0,1,0,0|0,0,2]=4 58 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 2221-1-E0 [0,1,0,1,0,0|0,0,2]=4 59 B9R1.95 O=C(O)C1CC(CO)C1 2229-1-88 [0,1,0,1,0,0|0,0,2]=4 60 B9R1.112 NC(CC1CC1)C(=O)O 4257-1-26 [0,1,0,1,0,0|1,0,1]=4 61 B9R1.112 N[C@@H](CC1CC1)C(=O)O 4257-1-S7 [0,1,0,1,0,0|1,0,1]=4 62 B9R1.112 N[C@H](CC1CC1)C(=O)O 4257-1-R7 [0,1,0,1,0,0|1,0,1]=4 63 B9R1.112 O=C(O)[C@H](O)CC1CC1 2229-1-R4 [0,1,0,1,0,0|1,0,1]=4 64 B9R1.152 C=C1CC(C)(C(=O)O)C1 2321-1-0A [0,1,0,1,0,0|1,0,0]=3 65 B9R1.164 CC1(F)CC(C(=O)O)C1 2221-3-21 [0,1,0,1,0,0|1,0,1]=4 66 B9R1.164 CC1(O)CC(C(=O)O)C1 2229-1-57 [0,1,0,1,0,0|0,0,2]=4 67 B9R1.164 C[C@]1(F)C[C@@H](C(=O)O)C1 2221-3-Z1 [0,1,0,1,0,0|1,0,1]=4 68 B9R1.164 C[C@]1(F)C[C@H](C(=O)O)C1 2221-3-E1 [0,1,0,1,0,0|1,0,1]=4 69 B9R2.145 O=C(O)C12CC(C1)C2 2221-1-35 [0,0,0,2,0,0|1,0,1]=4 70 B9R2.143 O=C(O)C1CC12CC2 2221-1-46 [0,0,0,2,0,0|1,0,1]=4