smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1NC(=O)c2c3c4cccc(Cl)c4[nH]c3c3[nH]c4c(cccc4Cl)c3c21 ZINC000006567268 560206145 /nfs/dbraw/zinc/20/61/45/560206145.db2.gz ZGCSNRKSJLVANE-UHFFFAOYSA-N -1 0 394.217 5.146 10 5 in-vitro GKBERM COC(=O)/C=C/C=C(C)/C=C/C=C(C)/C=C\C=C(C)\C=C/C=C(C)\C=C/C(=O)[O-] ZINC000064600515 222076037 /nfs/dbraw/zinc/07/60/37/222076037.db2.gz PETQSXXQDKKRJS-OWLMNNLMSA-N -1 0 394.511 5.810 10 5 GKBERM