smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCC(=O)OC[C@@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC ZINC000033822389 717122199 /nfs/dbraw/zinc/12/21/99/717122199.db2.gz YCBVRDMSFWAKDH-INIZCTEOSA-O 0 1 426.467 2.662 10 5 IFBEMN CCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC ZINC000033822387 717122179 /nfs/dbraw/zinc/12/21/79/717122179.db2.gz YCBVRDMSFWAKDH-MRXNPFEDSA-O 0 1 426.467 2.662 10 5 IFBEMN CN(C)Cc1ccc(CSCCNC(=C[N+](=O)[O-])NCc2ccc3c(c2)OCO3)o1 ZINC000004217144 569155441 /nfs/dbraw/zinc/15/54/41/569155441.db2.gz HXRSXEDVVARPHP-NDENLUEZSA-N 0 1 434.518 2.758 10 5 in-man IFBEMN