smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc[nH+]c(N[C@H](c2ccsc2)c2ccc3cccnc3c2O)c1 ZINC000000713119 563362767 /nfs/dbraw/zinc/36/27/67/563362767.db2.gz MLVKEOSVLIGARN-GOSISDBHSA-N 1 1 347.443 4.907 10 10 EJCEMO Cc1cc[nH+]c(N[C@@H](c2ccsc2)c2ccc3cccnc3c2O)c1 ZINC000000713111 563362743 /nfs/dbraw/zinc/36/27/43/563362743.db2.gz MLVKEOSVLIGARN-SFHVURJKSA-N 1 1 347.443 4.907 10 10 EJCEMO CCCC[N@@H+](Cc1ccccc1)Cc1cc(-c2cnccn2)ccc1O ZINC000012053718 564026310 /nfs/dbraw/zinc/02/63/10/564026310.db2.gz CRFNGJHDWWSIHM-UHFFFAOYSA-N 1 1 347.462 4.652 10 10 EJCEMO