smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(OCCCO[NH+]=C(N)N)cc(C(=O)N(Cc2ccoc2)CC2CC2)c1 ZINC000027202699 581093161 /nfs/dbraw/zinc/09/31/61/581093161.db2.gz NAWLBHDYCGRLJX-UHFFFAOYSA-N 1 1 400.479 2.614 1 30 HFEFMO Cc1cc(OCCCO[NH+]=C(N)N)cc(C(=O)N(Cc2ccoc2)C2CCC2)c1 ZINC000027204821 581093091 /nfs/dbraw/zinc/09/30/91/581093091.db2.gz LXICDNRAGBGHCP-UHFFFAOYSA-N 1 1 400.479 2.757 1 30 HFEFMO