smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C(=O)Nc2ccc(SC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)nc2)sc1C ZINC000218023716 568923587 /nfs/dbraw/zinc/92/35/87/568923587.db2.gz LLEGXIBPNYQNBB-PKOBYXMFSA-N 1 0 415.628 5.369 50 70 biogenic HKIARO O=C(Nc1ccc(SC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)nc1)c1ccc(Cl)cc1 ZINC000218083170 568925425 /nfs/dbraw/zinc/92/54/25/568925425.db2.gz CFNDGXQEAPDDFK-FXAWDEMLSA-N 1 0 415.990 5.344 50 70 biogenic HKIARO