smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CC(C#N)=CNc1nn[n-]n1 307233921 1424180560 /nfs/dbraw/zinc/18/05/60/1424180560.db2.gz DJUBAOHVWGFBRG-UHFFFAOYSA-N -1 1 161.128 -0.457 20 50 ABGDMM O=C(CCl)NCc1nnn[n-]1 44931102 1424399780 /nfs/dbraw/zinc/39/97/80/1424399780.db2.gz IZLRCIYLHDWRHD-UHFFFAOYSA-N -1 1 175.579 -0.945 20 50 ABGDMM