smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000033247705 521960671 /nfs/dbraw/zinc/96/06/71/521960671.db2.gz SQUODJLRYQHEDO-NDENLUEZSA-N -1 2 490.443 4.618 10 10 JJCELM COc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000033316233 521959260 /nfs/dbraw/zinc/95/92/60/521959260.db2.gz XXPYSLGMPHJPAU-BKUYFWCQSA-N -1 2 486.480 4.788 10 10 JJCELM CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4cccc(C(=O)[O-])c4)cc3)C2=O)cc1 ZINC000033319967 521037594 /nfs/dbraw/zinc/03/75/94/521037594.db2.gz MKDKEOQAOFOPFG-HAHDFKILSA-N -1 2 486.480 4.869 10 10 JJCELM