smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@H+]1CCCN(Cc2cccc(OC[C@@H](O)C[NH+](C)C3CCCCC3)c2)CC1 ZINC000217344882 568471734 /nfs/dbraw/zinc/47/17/34/568471734.db2.gz IHZGDZQWYPFHOW-QHCPKHFHSA-N 2 1 403.611 3.218 50 70 HGIAMP CC[NH+]1CCCN(Cc2cccc(OC[C@@H](O)C[N@H+](C)C3CCCCC3)c2)CC1 ZINC000217344882 568471736 /nfs/dbraw/zinc/47/17/36/568471736.db2.gz IHZGDZQWYPFHOW-QHCPKHFHSA-N 2 1 403.611 3.218 50 70 HGIAMP CC[NH+]1CCCN(Cc2cccc(OC[C@@H](O)C[N@@H+](C)C3CCCCC3)c2)CC1 ZINC000217344882 568471738 /nfs/dbraw/zinc/47/17/38/568471738.db2.gz IHZGDZQWYPFHOW-QHCPKHFHSA-N 2 1 403.611 3.218 50 70 HGIAMP