smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(/C=N\N=C2/NC(=O)C(CC(=O)Nc3ccccc3)S2)cc1OC ZINC000033432120 523459650 /nfs/dbraw/zinc/45/96/50/523459650.db2.gz FBOVZDZFQJZSDN-CTPANLQCSA-N 0 2 412.471 2.654 1 30 HFEFLN COc1ccc(/C=N\N=C2/NC(=O)[C@@H](CC(=O)Nc3ccccc3)S2)cc1OC ZINC000033432120 523459659 /nfs/dbraw/zinc/45/96/59/523459659.db2.gz FBOVZDZFQJZSDN-CTPANLQCSA-N 0 2 412.471 2.654 1 30 HFEFLN