smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c(-c2ccc(C=NN=c3nc(NN=Cc4ccc(-c5cn6ccccc6[n+]5C)cc4)cc[n-]3)cc2)c[n+]2ccccc12 ZINC000104242526 571377787 /nfs/dbraw/zinc/37/77/87/571377787.db2.gz BENLPZDVYYNNSX-NWSQFBHNSA-N 1 3 578.684 4.857 40 30 KJEBHO CN(C)CCCOc1ccccc1NC1=C(Cl)C(=O)C(Nc2ccccc2OCCC[NH+](C)C)=C(Cl)C1=O ZINC000104354757 571379440 /nfs/dbraw/zinc/37/94/40/571379440.db2.gz WBUCDXDUHFALAO-UHFFFAOYSA-N 1 3 561.510 4.924 40 30 KJEBHO