smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc2c(sc3c2c(C)ccc3C)c(C)[nH+]1 ZINC000000495702 178292644 /nfs/dbraw/zinc/29/26/44/178292644.db2.gz YYBFSCFEAVLXTB-UHFFFAOYSA-N 1 2 241.359 4.683 3 0 BJAFLO