smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC/N=C1/C=C/C(=C(/c2ccc(NCC)c(C)c2)c2ccc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])C=C1C ZINC000019418970 1067208080 /nfs/dbraw/zinc/20/80/80/1067208080.db2.gz UZZRJWHLVOAXAU-QHYLGDCSSA-N -2 1 516.641 4.699 20 0 KJADML