smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCC(C)(C)C(=O)N[O-] ZINC000206662612 587833772 /nfs/dbraw/zinc/83/37/72/587833772.db2.gz OLVPZKMXZBVFAM-UHFFFAOYSA-N -1 3 243.391 4.049 20 30 BIEDHM Cc1cccc(N=Cc2ccccc2[O-])c1Cl ZINC000745977620 585162433 /nfs/dbraw/zinc/16/24/33/585162433.db2.gz YJXFTGHTOAIWKE-UHFFFAOYSA-N -1 3 245.709 4.105 20 30 BIEDHM Cc1ccc(Cl)c(N=Cc2ccccc2[O-])c1 ZINC000761786458 585418531 /nfs/dbraw/zinc/41/85/31/585418531.db2.gz PJRWZPUMSJLYCF-UHFFFAOYSA-N -1 3 245.709 4.105 20 30 BIEDHM [O-]c1ccccc1C=Nc1ccc(C2CC2)cc1 ZINC000771520171 585595457 /nfs/dbraw/zinc/59/54/57/585595457.db2.gz KXSHZJZXHQUFPJ-UHFFFAOYSA-N -1 3 237.302 4.020 20 30 BIEDHM