smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])c1ccc(/C=C2/CCC/C(=C/c3ccc(C(N)=[NH2+])cc3)C2=O)cc1 ZINC000013803385 220096064 /nfs/dbraw/zinc/09/60/64/220096064.db2.gz JHWOURGIDUVUSO-BKHHGCLFSA-N 2 0 358.445 3.475 1 30 FGEFRP C[NH2+]Cc1cc(C#CCCN2CCOCC2)ccc1Oc1cccc(F)c1 ZINC000028825131 210165763 /nfs/dbraw/zinc/16/57/63/210165763.db2.gz SYDKBCVMFJSWKD-UHFFFAOYSA-N 2 0 368.452 3.411 1 30 in-vitro FGEFRP NC(=[NH2+])c1ccc(/C=C2\CCC/C(=C\c3ccc(C(N)=[NH2+])cc3)C2=O)cc1 ZINC000013527449 220071951 /nfs/dbraw/zinc/07/19/51/220071951.db2.gz JHWOURGIDUVUSO-KLCVKJMQSA-N 2 0 358.445 3.475 1 30 FGEFRP