smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CCCC[C@H]1CCSS1)NC1(c2nn[n-]n2)CCCC1 ZINC000736161279 1441795562 /nfs/dbraw/zinc/79/55/62/1441795562.db2.gz WKCXRBDDGFLNKU-NSHDSACASA-N -1 0 341.506 2.799 10 50 EFGERM Cc1ccc(NNC(=O)c2cccc(Nc3nnn[n-]3)c2)c(Cl)c1 ZINC001140951904 1428834050 /nfs/dbraw/zinc/83/40/50/1428834050.db2.gz YLSSIAOJATUJAW-UHFFFAOYSA-N -1 0 343.778 2.662 10 50 EFGERM O=C(CCCC[C@@H]1CCSS1)NC1(c2nn[n-]n2)CCCC1 ZINC000736161273 1427200563 /nfs/dbraw/zinc/20/05/63/1427200563.db2.gz WKCXRBDDGFLNKU-LLVKDONJSA-N -1 0 341.506 2.799 10 50 EFGERM