smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1c(C[NH+]2CCCCC2)cc(C23CC4CC(CC(C4)C2)C3)cc1C[NH+]1CCCCC1 ZINC000005248451 557641562 /nfs/dbraw/zinc/64/15/62/557641562.db2.gz KOHWVONKUXEYSI-UHFFFAOYSA-N 2 1 422.657 5.832 10 10 HKCEMP