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([O-])CCCN1C(=O)/C(=C/c2ccccc2C(=O)[O-])SC1=S ZINC000003193150 204081209 /nfs/dbraw/zinc/08/12/09/204081209.db2.gz OIZSFELWWYFVHK-FLIBITNWSA-N -2 0 351.405 2.451 50 10 FECARL O=C([O-])CCCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2[O-])SC1=S ZINC000018141027 539647026 /nfs/dbraw/zinc/64/70/26/539647026.db2.gz DUVGVROSFWRBSZ-XFFZJAGNSA-N -2 0 368.392 2.366 50 10 FECARL O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S ZINC000001909867 204022690 /nfs/dbraw/zinc/02/26/90/204022690.db2.gz NFCFWBGPXXNSSR-JRZFIGEHSA-N -2 0 371.823 2.469 50 10 FECARL CCc1ccc(/C=C2/SC(=S)N([C@H](CC(=O)[O-])C(=O)[O-])C2=O)cc1 ZINC000032707975 204935071 /nfs/dbraw/zinc/93/50/71/204935071.db2.gz BGFCVKUXYZMECY-LAPSENCUSA-N -2 0 365.432 2.378 50 10 FECARL O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S ZINC000002565321 204044905 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