smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CC(=O)OCCOCCOC(=O)C[N+](C)(C)C ZINC000011917704 375070304 /nfs/dbraw/zinc/07/03/04/375070304.db2.gz VKDTVUQIHHZBMK-UHFFFAOYSA-N 2 0 306.403 -0.498 50 30 DBEARP CC(C)NC(=O)C[N+]12CC[N+](CC(=O)NC(C)C)(CC1)CC2 ZINC000003279508 377862682 /nfs/dbraw/zinc/86/26/82/377862682.db2.gz WOBHNABGQYDJJY-UHFFFAOYSA-P 2 0 312.458 -0.304 50 30 DBEARP