smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CC[NH+](CCNC(=O)c3noc4ncnc(N5CCOCC5)c34)CC2)cc1 ZINC000063655444 569615802 /nfs/dbraw/zinc/61/58/02/569615802.db2.gz GVWFLGTZJKGAGS-UHFFFAOYSA-N 1 1 467.530 1.015 10 10 JDCEMO