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+](Cc1cc(Cl)cc(Cl)c1O)Cc1c(O)ccc2ccccc21 ZINC000031659446 571054945 /nfs/dbraw/zinc/05/49/45/571054945.db2.gz FBHWANHQHCXNOW-UHFFFAOYSA-N -1 2 362.256 5.190 40 10 in-vitro FKCBLM C[N@H+](Cc1cc(Cl)cc(Cl)c1O)Cc1c(O)ccc2ccccc21 ZINC000031659446 571054942 /nfs/dbraw/zinc/05/49/42/571054942.db2.gz FBHWANHQHCXNOW-UHFFFAOYSA-N -1 2 362.256 5.190 40 10 in-vitro FKCBLM