smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N-]S(=O)(=O)c1cc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)co1 ZINC000159906859 551573056 /nfs/dbraw/zinc/57/30/56/551573056.db2.gz BTJDXFBPQCDAKT-UHFFFAOYSA-N -2 3 398.853 2.612 20 70 GFIDHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2occc2-c2ccc(F)cc2)s1 ZINC000160382111 551580049 /nfs/dbraw/zinc/58/00/49/551580049.db2.gz HKACTZGCQMWWHB-UHFFFAOYSA-N -2 3 382.398 2.561 20 70 GFIDHL CCc1nnc([N-]C(=O)c2ccc(C(=O)[N-]c3nnc(CC)s3)o2)s1 ZINC000159987048 551573667 /nfs/dbraw/zinc/57/36/67/551573667.db2.gz LDSKRLMBKOPGNK-UHFFFAOYSA-N -2 3 378.439 2.612 20 70 GFIDHL CCc1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)cc1CC ZINC000160047246 551574593 /nfs/dbraw/zinc/57/45/93/551574593.db2.gz OJACUVJWERLSGE-UHFFFAOYSA-N -2 3 382.507 2.984 20 70 GFIDHL