smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1Br ZINC000059399154 195398899 /nfs/dbraw/zinc/39/88/99/195398899.db2.gz UIJNNJXANZRWKV-DHDCSXOGSA-N 0 2 473.279 2.976 10 10 JFCELN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(I)o3)C2=O)cc1 ZINC000004471598 521037215 /nfs/dbraw/zinc/03/72/15/521037215.db2.gz WDMASQHMUMOTOT-LCYFTJDESA-N 0 2 452.204 2.949 10 10 JFCELN CCOC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC ZINC000001213067 194071978 /nfs/dbraw/zinc/07/19/78/194071978.db2.gz KRVKFWYOIGSCKZ-WQRHYEAKSA-N 0 2 452.463 2.920 10 10 JFCELN