smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc2c3c(n(CCC[NH2+]CCCN)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2 ZINC000027647169 563048462 /nfs/dbraw/zinc/04/84/62/563048462.db2.gz ZHASIPINVXWTEX-UHFFFAOYSA-N 1 3 465.506 2.287 1 10 JECFHO COc1cc2c3c(n(CCCNCCC[NH3+])c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2 ZINC000027647169 563048463 /nfs/dbraw/zinc/04/84/63/563048463.db2.gz ZHASIPINVXWTEX-UHFFFAOYSA-N 1 3 465.506 2.287 1 10 JECFHO