smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000033588845 527048323 /nfs/dbraw/zinc/04/83/23/527048323.db2.gz GHNKANYQAUDYJU-CYVLTUHYSA-N -1 0 450.451 2.136 10 10 JECERM Nc1c(S(=O)(=O)[O-])cc(NS(=O)(=O)c2ccccc2)c2c1C(=O)c1ccccc1C2=O ZINC000033605539 527436190 /nfs/dbraw/zinc/43/61/90/527436190.db2.gz BPOXGXKCELHYOY-UHFFFAOYSA-N -1 0 458.473 2.092 10 10 JECERM O=C([O-])CN1C(=O)/C(=C2\SC(=S)N(NC(=O)Nc3ccccc3)C2=O)c2ccccc21 ZINC000015906213 556063397 /nfs/dbraw/zinc/06/33/97/556063397.db2.gz KMJMMVKLPLEICV-NXVVXOECSA-N -1 0 454.489 2.426 10 10 JECERM