smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(OCC(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000021025258 211304057 /nfs/dbraw/zinc/30/40/57/211304057.db2.gz LNFHMCQSXPDOMV-UHFFFAOYSA-N -2 1 366.351 2.167 10 5 FEBEML CCCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000263556383 672936406 /nfs/dbraw/zinc/93/64/06/672936406.db2.gz OMMXKXZSWZWSKY-SECBINFHSA-N -2 1 368.770 2.309 10 5 FEBEML CCCC[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000263490399 672934246 /nfs/dbraw/zinc/93/42/46/672934246.db2.gz OMMXKXZSWZWSKY-VIFPVBQESA-N -2 1 368.770 2.309 10 5 FEBEML