smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCC(=O)OC(C[NH+]1CCCCC1)C[NH+]1CCCCC1 ZINC000097951049 558863292 /nfs/dbraw/zinc/86/32/92/558863292.db2.gz MCWGCPKVHBAGSK-UHFFFAOYSA-N 2 2 408.671 5.791 50 30 HKEALP Oc1ccc2ccccc2c1/C=[NH+]/CCCCCC/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000101671894 526354457 /nfs/dbraw/zinc/35/44/57/526354457.db2.gz ALAJPMPJASASQJ-CZYCKNNWSA-N 2 2 424.544 6.503 50 30 HKEALP