smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([O-])c(Cl)c1Cl 39205680 343206108 /nfs/dbraw/zinc/20/61/08/343206108.db2.gz MCCTUAKNFRUXLR-UHFFFAOYSA-N -1 1 177.030 3.007 40 0 in-vitro AGABMM [O-]c1cc(Cl)ccc1C(F)(F)F 34768509 351445744 /nfs/dbraw/zinc/44/57/44/351445744.db2.gz GUUHTCHBMKBRDT-UHFFFAOYSA-N -1 1 196.555 3.064 40 0 in-vitro AGABMM c1cc2[n-]c3ccsc3c2s1 75629582 371649096 /nfs/dbraw/zinc/64/90/96/371649096.db2.gz VBSAGAKIMFPMFV-UHFFFAOYSA-N -1 1 179.269 3.444 40 0 AGABMM