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rdkit/Code/GraphMol/Wrap/test_data/easy_smiles.txt
2019-10-10 20:18:43 +09:00

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test1 CCC
test2 C1CCC1
test3 C1CCC1.CCC
test4 C1CCC1.C=CC
test5 C1CC=C1.CCC
test6 C(CC)CCC
test7 C(CO)CCC
test8 C(C=O)CCC
test9 C(C=O)CCC.[Na+].[Cl-]
test10 C(C=O)CCC.CCC.C(CC)C
TR435 C(C)(C)(C)c1cc(Sc2cc(c(O)cc2C)C(C)(C)C)c(C)cc1O
dbl1 C/C=C\C
dbl2 C\C=C/C
dbl3 C/C=C/C
dbl4 C\C=C\C