smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)CC(C)(C)C[NH2+]Cc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000055060652 569381417 /nfs/dbraw/zinc/38/14/17/569381417.db2.gz NOLDILNYFWVNGV-JOCHJYFZSA-N 2 3 405.627 3.368 50 0 HGAAHP CN(C)CC(C)(C)C[NH2+]Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000055060652 569381418 /nfs/dbraw/zinc/38/14/18/569381418.db2.gz NOLDILNYFWVNGV-JOCHJYFZSA-N 2 3 405.627 3.368 50 0 HGAAHP CN(C)CC(C)(C)C[NH2+]Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000055060653 569381395 /nfs/dbraw/zinc/38/13/95/569381395.db2.gz NOLDILNYFWVNGV-QFIPXVFZSA-N 2 3 405.627 3.368 50 0 HGAAHP CN(C)CC(C)(C)C[NH2+]Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000055060653 569381397 /nfs/dbraw/zinc/38/13/97/569381397.db2.gz NOLDILNYFWVNGV-QFIPXVFZSA-N 2 3 405.627 3.368 50 0 HGAAHP