smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+]1(CC#CCOC(=O)CCCC(=O)OCC#CC[N+]2(C)CCCCC2)CCCCC1 ZINC000005530218 525357313 /nfs/dbraw/zinc/35/73/13/525357313.db2.gz ISZLVOYEBLJMDM-UHFFFAOYSA-N 2 0 432.605 2.511 40 30 IFEBRP OCC/[NH+]=C(\c1ccc(Cl)cc1)N1CCN(/C(=[NH+]/CCO)c2ccc(Cl)cc2)CC1 ZINC000008893920 569292072 /nfs/dbraw/zinc/29/20/72/569292072.db2.gz VLFIZGXGWXWYGK-CDTUYSNOSA-N 2 0 449.382 2.789 40 30 IFEBRP