smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2ccc(OC)c(C=C3C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)c2c1 ZINC000033316873 525647411 /nfs/dbraw/zinc/64/74/11/525647411.db2.gz AYBHIURUOCQREW-BKUYFWCQSA-N 0 2 430.460 4.981 10 10 IJCELN O=S(=O)(Nc1cc(Sc2nc[nH]n2)c(O)c2ccccc12)c1cccc2ccccc21 ZINC000008859979 562965282 /nfs/dbraw/zinc/96/52/82/562965282.db2.gz HYZADLMPLQVWJU-UHFFFAOYSA-N 0 2 448.529 4.769 10 10 IJCELN