smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1nc(NC([O-])=NS(=O)(=O)c2c(Cl)ccc3cccnc32)nc(OC)n1 ZINC000034595031 524977731 /nfs/dbraw/zinc/97/77/31/524977731.db2.gz RKHQQBDCBSITDT-UHFFFAOYSA-N -1 1 424.826 1.805 10 30 HDEEMM COc1nc(NC(=O)[N-]S(=O)(=O)c2c(Cl)ccc3cccnc32)nc(OC)n1 ZINC000034595031 524977738 /nfs/dbraw/zinc/97/77/38/524977738.db2.gz RKHQQBDCBSITDT-UHFFFAOYSA-N -1 1 424.826 1.805 10 30 HDEEMM