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(c2nnn[n-]2)CCCC1 ZINC000736161279 1441795566 /nfs/dbraw/zinc/79/55/66/1441795566.db2.gz WKCXRBDDGFLNKU-NSHDSACASA-N -1 1 341.506 2.799 10 50 EFGEMM Cc1ccc(NNC(=O)c2cccc(Nc3nn[n-]n3)c2)c(Cl)c1 ZINC001140951904 1428834056 /nfs/dbraw/zinc/83/40/56/1428834056.db2.gz YLSSIAOJATUJAW-UHFFFAOYSA-N -1 1 343.778 2.662 10 50 EFGEMM O=C(CCCC[C@@H]1CCSS1)NC1(c2nnn[n-]2)CCCC1 ZINC000736161273 1427200565 /nfs/dbraw/zinc/20/05/65/1427200565.db2.gz WKCXRBDDGFLNKU-LLVKDONJSA-N -1 1 341.506 2.799 10 50 EFGEMM