smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CCCc1ccc(C#N)cc1)c1nc(N2CC[NH2+]CC2)nc(NCCc2ccc(O)cc2)[nH+]1 ZINC000013492572 562969767 /nfs/dbraw/zinc/96/97/67/562969767.db2.gz CXAWVEXUZCTTKM-UHFFFAOYSA-N 2 1 472.597 2.582 1 30 JFEFMP