smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)N2CCNC(=O)C2)c(C(=O)OC)c1C ZINC000514302432 1066205222 /nfs/dbraw/zinc/20/52/22/1066205222.db2.gz DUDOSVZMBNIEJQ-LLVKDONJSA-N 0 1 507.612 -0.012 20 0 KBADMN COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)N2CCNC(=O)C2)c(C(=O)OC)c1C ZINC000514302438 1066205241 /nfs/dbraw/zinc/20/52/41/1066205241.db2.gz DUDOSVZMBNIEJQ-NSHDSACASA-N 0 1 507.612 -0.012 20 0 KBADMN