smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(Nc2nc3c(s2)CCC[C@@H]3c2ccccc2)ccc1-n1c[nH+]c(C)c1 ZINC000068249161 558809785 /nfs/dbraw/zinc/80/97/85/558809785.db2.gz VFSGAZRYSCNFDF-LJQANCHMSA-N 1 2 416.550 5.858 30 0 HKACLO COc1cc(Nc2nc3c(s2)CCC[C@H]3c2ccccc2)ccc1-n1c[nH+]c(C)c1 ZINC000068249164 569399101 /nfs/dbraw/zinc/39/91/01/569399101.db2.gz VFSGAZRYSCNFDF-IBGZPJMESA-N 1 2 416.550 5.858 30 0 HKACLO