smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]C(=O)c2c1cccc2NC=C1C(=O)[N-]C(=O)NC1=O ZINC000008514777 382660896 /nfs/dbraw/zinc/66/08/96/382660896.db2.gz RWCOLTHQQJQXSX-UHFFFAOYSA-N -2 3 300.230 -0.768 50 10 DBCAHL NC(=O)n1[n-]c(-c2ccccc2[O-])c(CN2CCOCC2)c1=O ZINC000261492204 203073891 /nfs/dbraw/zinc/07/38/91/203073891.db2.gz VCJXFPPETSMWBA-NSHDSACASA-N -2 3 318.333 -0.034 50 10 DBCAHL NC(=O)n1[n-]c(-c2ccccc2[O-])c(CN2CCOCC2)c1=O ZINC000019912755 376088105 /nfs/dbraw/zinc/08/81/05/376088105.db2.gz VCJXFPPETSMWBA-LLVKDONJSA-N -2 3 318.333 -0.034 50 10 DBCAHL