smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCn1c(O)c(C2=NN(C(C)=O)[C@@H](c3ccc(OC)cc3)C2)c(=O)[nH]c1=S ZINC000101456285 560795315 /nfs/dbraw/zinc/79/53/15/560795315.db2.gz YFDAALMWDKBKKS-MRXNPFEDSA-N -2 2 416.503 3.118 50 0 HGAALL CCCCn1c(O)c(C2=NN(C(C)=O)[C@H](c3ccc(OC)cc3)C2)c(=O)[nH]c1=S ZINC000101456283 560795404 /nfs/dbraw/zinc/79/54/04/560795404.db2.gz YFDAALMWDKBKKS-INIZCTEOSA-N -2 2 416.503 3.118 50 0 HGAALL