smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N=c1ccc(-c2ccc(NC(=S)Nc3ccc(-c4c5ccc(O)cc5oc5cc(=O)ccc4-5)c(C(=O)[O-])c3)cc2)nn1CCCC(=O)[O-] ZINC000150347306 571460772 /nfs/dbraw/zinc/46/07/72/571460772.db2.gz VQGZBFDZKLNWFW-UHFFFAOYSA-N -2 2 661.696 5.985 10 5 in-vitro KKBELL COc1cc(O)c2c(c1)c(-c1c(OC)cc3cc4oc(C)cc(O)c-4c(=O)c3c1OC)c1oc(C)cc(O)c-1c2=O ZINC000000897910 560125913 /nfs/dbraw/zinc/12/59/13/560125913.db2.gz DVSATZLPJVYIRI-UHFFFAOYSA-N -3 2 556.523 5.632 10 5 endogenous,in-man KKBELL