smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CC(Cc1ccc(O)cc1)C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001183611567 1068860105 /nfs/dbraw/zinc/86/01/05/1068860105.db2.gz HDSSFLTXSJGBLC-FFZOFVMBSA-N 1 3 467.551 0.906 20 30 JCEDHO N#CC(Cc1ccc(O)cc1)C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001183611568 1068859868 /nfs/dbraw/zinc/85/98/68/1068859868.db2.gz HDSSFLTXSJGBLC-LSTHTHJFSA-N 1 3 467.551 0.906 20 30 JCEDHO