smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(c1ccc(Oc2ccccc2)cc1)c1cc(C(=O)c2cccc3ccccc32)c([O-])c(O)c1O ZINC000029151224 563098216 /nfs/dbraw/zinc/09/82/16/563098216.db2.gz PZNPHSABNYIWKY-UHFFFAOYSA-N -1 2 476.484 6.211 1 10 JKCFLM O=C(c1ccc(Oc2ccccc2)cc1)c1cc(C(=O)c2cccc3ccccc32)c(O)c(O)c1[O-] ZINC000029151224 563098217 /nfs/dbraw/zinc/09/82/17/563098217.db2.gz PZNPHSABNYIWKY-UHFFFAOYSA-N -1 2 476.484 6.211 1 10 JKCFLM Cc1csc(NS(=O)(=O)c2ccc(N=Nc3c(C)[n-]n(-c4ccccc4)c3=O)cc2)c1C ZINC000044201682 563171882 /nfs/dbraw/zinc/17/18/82/563171882.db2.gz DKUQAKGWVGGSBA-BBJJLJPOSA-N -1 2 467.576 5.041 1 10 JKCFLM