smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(NC(=O)c2cc(=O)[n-]cn2)c1C ZINC000217793695 179141230 /nfs/dbraw/zinc/14/12/30/179141230.db2.gz BLPMRNDZQYCRNI-UHFFFAOYSA-N -1 3 243.266 1.639 50 70 BDIAHM Cc1cccc(NC(=O)c2cc(=O)[n-]cn2)c1 ZINC000217793594 179141139 /nfs/dbraw/zinc/14/11/39/179141139.db2.gz WWKJCUJCQDMTHV-UHFFFAOYSA-N -1 3 229.239 1.331 50 70 BDIAHM CCc1ccccc1NC(=O)c1cc(=O)[n-]cn1 ZINC000217793494 388382197 /nfs/dbraw/zinc/38/21/97/388382197.db2.gz QKQXMEWKITXVIE-UHFFFAOYSA-N -1 3 243.266 1.585 50 70 BDIAHM Cc1ccc(C(=O)NCCc2cn[nH]c2)c([O-])c1 ZINC000217359347 386734510 /nfs/dbraw/zinc/73/45/10/386734510.db2.gz ZLYIURFEHOVLSG-UHFFFAOYSA-N -1 3 245.282 1.396 50 70 BDIAHM Cc1cc([O-])ccc1C(=O)N(C)Cc1cc[nH]n1 ZINC000217059909 386734641 /nfs/dbraw/zinc/73/46/41/386734641.db2.gz FWJSNJFGVLTYMM-UHFFFAOYSA-N -1 3 245.282 1.696 50 70 BDIAHM