smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1ccc2c(O)c(C[NH2+]C3CCOCC3)ccc2c1C[NH2+]C1CCOCC1 ZINC000003784962 206292960 /nfs/dbraw/zinc/29/29/60/206292960.db2.gz KHSZKSPROUCQTK-UHFFFAOYSA-N 2 0 386.492 2.788 10 10 GFCERP COc1ccc(C2([NH2+]Cc3ccc(O)c(C[NH+]4CCN(C)CC4)c3)CC2)cc1 ZINC000023247909 207272428 /nfs/dbraw/zinc/27/24/28/207272428.db2.gz CSMSXAVXRUWXJS-UHFFFAOYSA-N 2 0 381.520 2.927 10 10 GFCERP