smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#[N+]C1=C2C(=CC=CC2[N+](=O)[O-])c2ccccc21 ZINC000040568551 183317579 /nfs/dbraw/zinc/31/75/79/183317579.db2.gz AYZOVBBYOVINNS-UHFFFAOYSA-N 1 2 237.218 2.642 1 10 BFCFLO COc1ccc(N(Cc2c[nH+]c[nH]2)C(C)C)cc1 ZINC000095561872 175137528 /nfs/dbraw/zinc/13/75/28/175137528.db2.gz WVVVJKFSBIWQSW-UHFFFAOYSA-N 1 2 245.326 2.833 1 10 BFCFLO COc1ccc(N(Cc2c[nH]c[nH+]2)C(C)C)cc1 ZINC000095561872 175137530 /nfs/dbraw/zinc/13/75/30/175137530.db2.gz WVVVJKFSBIWQSW-UHFFFAOYSA-N 1 2 245.326 2.833 1 10 BFCFLO