smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000216782896 241211050 /nfs/dbraw/zinc/21/10/50/241211050.db2.gz USFWAVJEYFMXLP-UHFFFAOYSA-N 0 0 327.406 -0.009 40 70 EBIBRN CN1CCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000216843013 241215311 /nfs/dbraw/zinc/21/53/11/241215311.db2.gz LRLSXFIZPGXBRH-UHFFFAOYSA-N 0 0 333.435 -0.006 40 70 EBIBRN CCNS(=O)(=O)c1cc(C(N)=O)ccc1N1CCN(C)CC1 ZINC000216792366 285609774 /nfs/dbraw/zinc/60/97/74/285609774.db2.gz PHMLIIWWVQNOPK-UHFFFAOYSA-N 0 0 326.422 -0.165 40 70 EBIBRN CNC(=O)c1ccc(N2CCN(C)CC2)c(S(=O)(=O)NC)c1 ZINC000216789133 290627923 /nfs/dbraw/zinc/62/79/23/290627923.db2.gz YXTOEPBNKRLUDZ-UHFFFAOYSA-N 0 0 326.422 -0.294 40 70 EBIBRN