smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc2sc([C@@H](c3cccc(F)c3)N3CCCC3)c([O-])n2n1 ZINC000218407843 241319551 /nfs/dbraw/zinc/31/95/51/241319551.db2.gz MSCKRVVVEDUXSN-CYBMUJFWSA-N -1 0 332.404 3.129 50 70 EGIARM CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2CC(C)C ZINC000218103162 277102476 /nfs/dbraw/zinc/10/24/76/277102476.db2.gz VZDLINYSSJQYLR-NSHDSACASA-N -1 0 344.363 3.448 50 70 biogenic EGIARM CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2CC(C)C ZINC000218103081 241297774 /nfs/dbraw/zinc/29/77/74/241297774.db2.gz VZDLINYSSJQYLR-LLVKDONJSA-N -1 0 344.363 3.448 50 70 biogenic EGIARM Cc1nc2sc([C@H](c3cccc(F)c3)N3CCCC3)c([O-])n2n1 ZINC000218407772 241320200 /nfs/dbraw/zinc/32/02/00/241320200.db2.gz MSCKRVVVEDUXSN-ZDUSSCGKSA-N -1 0 332.404 3.129 50 70 EGIARM CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2C(C)C ZINC000217861262 277102456 /nfs/dbraw/zinc/10/24/56/277102456.db2.gz KXLCYTVROWTNLW-SNVBAGLBSA-N -1 0 330.336 3.058 50 70 biogenic EGIARM CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2C(C)C ZINC000217861189 277102539 /nfs/dbraw/zinc/10/25/39/277102539.db2.gz KXLCYTVROWTNLW-JTQLQIEISA-N -1 0 330.336 3.058 50 70 biogenic EGIARM