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@H+]1CC[C@](O)(CNC(N)=[NH2+])C1 306161720 757057387 /nfs/dbraw/zinc/05/73/87/757057387.db2.gz GMHXHYZJPCKYTI-ZETCQYMHSA-N 2 1 172.232 -1.674 20 30 AAEDMP C[N@H+]1CC[C@@](O)(CNC(N)=[NH2+])C1 306161718 757057416 /nfs/dbraw/zinc/05/74/16/757057416.db2.gz GMHXHYZJPCKYTI-SSDOTTSWSA-N 2 1 172.232 -1.674 20 30 AAEDMP