smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1noc(C)c1S(=O)(=O)[N-]CCOc1ccccc1Cl ZINC000160081964 225333470 /nfs/dbraw/zinc/33/34/70/225333470.db2.gz UKPNZXYREFJBNI-UHFFFAOYSA-N -1 3 330.793 2.302 40 70 EEIBHM NC(=O)CC1CCN(Cc2cc([O-])ccc2Br)CC1 ZINC000159818499 225282549 /nfs/dbraw/zinc/28/25/49/225282549.db2.gz JXQYOZCIEOFMIC-UHFFFAOYSA-N -1 3 327.222 2.242 40 70 EEIBHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)c1 ZINC000160070201 463317355 /nfs/dbraw/zinc/31/73/55/463317355.db2.gz ZPCJEEPBPKUDSB-UHFFFAOYSA-N -1 3 330.369 2.351 40 70 EEIBHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3[nH]nnc3c2)c1 ZINC000160070201 463317360 /nfs/dbraw/zinc/31/73/60/463317360.db2.gz ZPCJEEPBPKUDSB-UHFFFAOYSA-N -1 3 330.369 2.351 40 70 EEIBHM