smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CC[NH+](CCCNS(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000012068995 562980569 /nfs/dbraw/zinc/98/05/69/562980569.db2.gz OBCIEGQQVZKMIA-UHFFFAOYSA-N 1 1 439.581 3.339 20 10 IGCDMO CN1CCN(c2ccc(N3CC4(CC[NH2+]CC4)c4c3cccc4-c3cccnc3)nn2)CC1 ZINC001164909927 721568463 /nfs/dbraw/zinc/56/84/63/721568463.db2.gz VOZYXPTUBFUYPO-UHFFFAOYSA-N 1 1 441.583 3.063 20 10 IGCDMO