smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCc1cccc(N2C(=[NH2+])NC(=N)NC2(C)C)c1 ZINC000001609235 564130204 /nfs/dbraw/zinc/13/02/04/564130204.db2.gz OYCWDHDJTHQWFU-UHFFFAOYSA-N 1 3 343.519 4.165 40 30 EIEBHO