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)CCNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 ZINC000022594160 568771168 /nfs/dbraw/zinc/77/11/68/568771168.db2.gz UNNUFQCXUIBYHJ-IBGZPJMESA-N 0 3 404.559 -0.165 50 10 HBCAHN CN(C)CCNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 ZINC000022594166 568771165 /nfs/dbraw/zinc/77/11/65/568771165.db2.gz UNNUFQCXUIBYHJ-LJQANCHMSA-N 0 3 404.559 -0.165 50 10 HBCAHN CN(C)S(=O)(=O)CCCS(=O)(=O)NCc1ccc(N2CCNCC2)c(F)c1 ZINC000253416091 569367067 /nfs/dbraw/zinc/36/70/67/569367067.db2.gz YHWPCTYWZWWQSO-UHFFFAOYSA-N 0 3 422.548 -0.064 50 10 HBCAHN