b3clf_hf / sample_input_smiles.csv
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Update config.toml and sample input SMILES file
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OC(=O)CCCN1CCC(OC(c2ncccc2)c2ccc(Cl)cc2)CC1
OC(c1ccccc1)(c1ccccc1)C1CN2CCC1CC2
c1nc2c(cc1)CCc1cc(Cl)ccc1C2=C1CCN(Cc2cncc(C)c2)CC1
C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N
CC(=O)Oc1ccccc1C(=O)O
CC(=O)Oc1c(cc(cc1)Cl)C(=O)OC(=O)c1c(ccc(c1)Cl)OC(=O)C