smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#C/C(=C\c1ccccc1Cl)C(=O)[O-] ZINC000022173460 957155607 /nfs/dbraw/zinc/15/56/07/957155607.db2.gz SPTXWNXTYIDOON-VMPITWQZSA-N -1 0 207.616 2.332 40 50 BEGBRM O=C([O-])[C@@]12CC[C@@H](C[C@@H]1Br)C2 ZINC000005048723 956870217 /nfs/dbraw/zinc/87/02/17/956870217.db2.gz YOBWYLCYNUIVKF-VMHSAVOQSA-N -1 0 219.078 2.025 40 50 BEGBRM CCOc1ccc(/C=C(\C#N)C(=O)[O-])cc1OC ZINC000000151405 956861009 /nfs/dbraw/zinc/86/10/09/956861009.db2.gz AQYIMFBTFQAVIR-UXBLZVDNSA-N -1 0 247.250 2.085 40 50 BEGBRM