smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000654787558 530779255 /nfs/dbraw/zinc/77/92/55/530779255.db2.gz GKNNTSFMXUEUEI-SECBINFHSA-N -2 1 380.419 0.895 10 30 GCEEML C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000654787559 530779731 /nfs/dbraw/zinc/77/97/31/530779731.db2.gz GKNNTSFMXUEUEI-VIFPVBQESA-N -2 1 380.419 0.895 10 30 GCEEML C#CCn1ccc(CN(CCOC)C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)n1 ZINC000790105168 1205456894 /nfs/dbraw/zinc/45/68/94/1205456894.db2.gz QSXYLXKNZVVSOF-UHFFFAOYSA-N -2 1 396.407 0.863 10 30 GCEEML