smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=Cc1ccc(N(CCCC)CCCC)cc1 ZINC000034742749 351234397 /nfs/dbraw/zinc/23/43/97/351234397.db2.gz KAVBRFJCUBOPFC-UHFFFAOYSA-N 1 0 231.383 4.736 10 10 BJCERO