smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000830232419 601250875 /nfs/dbraw/zinc/25/08/75/601250875.db2.gz UABLXWPGBFEUIH-UHFFFAOYSA-N -2 2 394.361 2.354 20 5 GEBDLL Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1F ZINC000832868491 601224581 /nfs/dbraw/zinc/22/45/81/601224581.db2.gz WQYVJTDMNSSVGY-UHFFFAOYSA-N -2 2 398.324 2.240 20 5 GEBDLL Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000832953032 600691176 /nfs/dbraw/zinc/69/11/76/600691176.db2.gz YXZGDPHFVUZXSY-UHFFFAOYSA-N -2 2 380.334 2.100 20 5 GEBDLL Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])ccc1C(=O)[O-] ZINC000738463755 599869035 /nfs/dbraw/zinc/86/90/35/599869035.db2.gz UZZORMBBWCKDJM-UHFFFAOYSA-N -2 2 380.334 2.100 20 5 GEBDLL Cc1cc(F)c(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000833744618 605169351 /nfs/dbraw/zinc/16/93/51/605169351.db2.gz LKSPENILHSFBTK-UHFFFAOYSA-N -2 2 398.324 2.240 20 5 GEBDLL CCc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])c(C(=O)[O-])c1 ZINC000737266355 600536191 /nfs/dbraw/zinc/53/61/91/600536191.db2.gz KZDZMDULUAJIMT-UHFFFAOYSA-N -2 2 394.361 2.354 20 5 GEBDLL Cc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)sc1C(=O)[O-] ZINC000432186921 532528479 /nfs/dbraw/zinc/52/84/79/532528479.db2.gz NSTFCKWSHZZLRU-UHFFFAOYSA-N -2 2 386.363 2.162 20 5 GEBDLL Cc1cc(C)c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])c(C(=O)[O-])c1 ZINC000738358132 599768655 /nfs/dbraw/zinc/76/86/55/599768655.db2.gz LAVGZRDGKNBOOR-UHFFFAOYSA-N -2 2 394.361 2.409 20 5 GEBDLL Cc1c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])cccc1C(=O)[O-] ZINC000738305356 599868579 /nfs/dbraw/zinc/86/85/79/599868579.db2.gz OHGRCGIWFYVUBQ-UHFFFAOYSA-N -2 2 380.334 2.100 20 5 GEBDLL