smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Nc1ccc2[nH]ccc2c1)c1cc(=O)c(OCc2cccc(Cl)c2)c[n-]1 ZINC000218236881 570328665 /nfs/dbraw/zinc/32/86/65/570328665.db2.gz ZVUOGQZQIRYBAV-UHFFFAOYSA-N -1 3 393.830 4.341 50 70 GIIAHM [O-]c1c([C@@H](c2ccc(F)c(Cl)c2)N2CCCCCC2)sc2ncnn12 ZINC000218497630 570335568 /nfs/dbraw/zinc/33/55/68/570335568.db2.gz JEOPVPMVTYLHPY-CQSZACIVSA-N -1 3 380.876 4.254 50 70 GIIAHM O=C(Nc1ccc2[nH]ccc2c1)c1cc(=O)c(OCc2ccccc2Cl)c[n-]1 ZINC000218329913 570331556 /nfs/dbraw/zinc/33/15/56/570331556.db2.gz PTKWYJZQUJTAOE-UHFFFAOYSA-N -1 3 393.830 4.341 50 70 GIIAHM [O-]c1c([C@H](c2ccc(F)c(Cl)c2)N2CCCCCC2)sc2ncnn12 ZINC000218497535 570335633 /nfs/dbraw/zinc/33/56/33/570335633.db2.gz JEOPVPMVTYLHPY-AWEZNQCLSA-N -1 3 380.876 4.254 50 70 GIIAHM CC(C)[C@H]1Nc2ccccc2C(=O)N1CCCCCC(=O)Nc1ccccc1[O-] ZINC000218052728 212112615 /nfs/dbraw/zinc/11/26/15/212112615.db2.gz PIWGAEVMBBSHTM-QFIPXVFZSA-N -1 3 395.503 4.441 50 70 GIIAHM