smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH]c([N+](=O)[O-])c(O)c1C(=O)[O-] 687728642 571908903 /nfs/dbraw/zinc/90/89/03/571908903.db2.gz VTLCWMJRUJZWJK-UHFFFAOYSA-N -1 2 186.123 0.635 10 5 ACBELM NC(=O)c1ccc(O)c([N+](=O)[O-])c1[O-] 687759135 571960516 /nfs/dbraw/zinc/96/05/16/571960516.db2.gz IFBULXHLHKNZQW-UHFFFAOYSA-N -1 2 198.134 0.105 10 5 ACBELM O=C([O-])Cc1cccc([N+](=O)[O-])c1O 34413936 169344079 /nfs/dbraw/zinc/34/40/79/169344079.db2.gz QLVXBCLXWFNMKW-UHFFFAOYSA-N -1 2 197.146 0.928 10 5 ACBELM O=C([O-])c1cc([N+](=O)[O-])[nH]c(=O)c1 95766127 169356194 /nfs/dbraw/zinc/35/61/94/169356194.db2.gz FCMPQFZPRNXCPT-UHFFFAOYSA-N -1 2 184.107 0.394 10 5 ACBELM O=C([O-])Cc1cc([N+](=O)[O-])[nH]c(=O)c1 95767499 171138981 /nfs/dbraw/zinc/13/89/81/171138981.db2.gz KUTRSUZMBDETPF-UHFFFAOYSA-N -1 2 198.134 0.323 10 5 ACBELM O=C([O-])Cc1cccc(O)c1[N+](=O)[O-] 144300466 344025775 /nfs/dbraw/zinc/02/57/75/344025775.db2.gz GVSCADNDKYBTNW-UHFFFAOYSA-N -1 2 197.146 0.928 10 5 ACBELM O=C([O-])Cc1cnc([N+](=O)[O-])c(O)c1 238606552 344815387 /nfs/dbraw/zinc/81/53/87/344815387.db2.gz HBKMANPVGSQSGS-UHFFFAOYSA-N -1 2 198.134 0.323 10 5 ACBELM