smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCOC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+] ZINC000001857620 166194901 /nfs/dbraw/zinc/19/49/01/166194901.db2.gz DJMMUGPAPFFJQC-ZETCQYMHSA-N 2 1 212.253 -1.247 40 30 BAEBMP C#CCOC(=O)[C@H]([NH3+])CCCNC(N)=[NH2+] ZINC000008665721 166194741 /nfs/dbraw/zinc/19/47/41/166194741.db2.gz DJMMUGPAPFFJQC-SSDOTTSWSA-N 2 1 212.253 -1.247 40 30 BAEBMP