smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1cccc2n1C[C@H]1C[C@@H]2CN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000217563536 206364769 /nfs/dbraw/zinc/36/47/69/206364769.db2.gz XVGKXIMOGBSQGX-NWDGAFQWSA-N -1 0 354.435 1.766 40 70 FDIBRM