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)CCOc1ccc(/C=C/c2ccc(OCC[N+](C)(C)C)cc2)cc1 ZINC000005764639 717101714 /nfs/dbraw/zinc/10/17/14/717101714.db2.gz IPQVNLAJLIQBDD-BQYQJAHWSA-N 2 0 384.564 4.027 10 5 GIBERP CCC[NH2+]CCOc1ccc2cc3ccc(OCC[NH2+]CCC)cc3nc2c1 ZINC000029414886 207363096 /nfs/dbraw/zinc/36/30/96/207363096.db2.gz YQESOVRNNWSFQM-UHFFFAOYSA-N 2 0 381.520 4.145 10 5 GIBERP CCC(=O)O[C@]1(c2ccccc2)C[C@H](C)[N+](C)(C)C[C@@]1(C)C[N+](C)(CC)CC ZINC000005497969 717099897 /nfs/dbraw/zinc/09/98/97/717099897.db2.gz KNLFTVMYXKPUFJ-OYDLWJJNSA-N 2 0 390.612 4.196 10 5 GIBERP CCC(=O)O[C@]1(c2ccccc2)C[C@@H](C)[N+](C)(C)C[C@@]1(C)C[N+](C)(CC)CC ZINC000005497981 717100327 /nfs/dbraw/zinc/10/03/27/717100327.db2.gz KNLFTVMYXKPUFJ-QDSKXPNFSA-N 2 0 390.612 4.196 10 5 GIBERP