smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CC(=O)N/N=C(/C=C/c1ccccc1)C[C@H]1OC(=O)c2ccccc21 ZINC000073331589 717134423 /nfs/dbraw/zinc/13/44/23/717134423.db2.gz UOZWALISYBCCPJ-BJSZCIRESA-O 1 0 392.479 3.180 40 50 GGGBRO C[N+](C)(C)CC(=O)N/N=C(/C=C\c1ccccc1)C[C@H]1OC(=O)c2ccccc21 ZINC000005811362 717101670 /nfs/dbraw/zinc/10/16/70/717101670.db2.gz UOZWALISYBCCPJ-DXFDTRFFSA-O 1 0 392.479 3.180 40 50 GGGBRO C[N+](C)(C)CC(=O)N/N=C(\C=C/c1ccccc1)C[C@H]1OC(=O)c2ccccc21 ZINC000104293685 717147295 /nfs/dbraw/zinc/14/72/95/717147295.db2.gz UOZWALISYBCCPJ-PCMDMSNQSA-O 1 0 392.479 3.180 40 50 GGGBRO C[N+](C)(C)CC(=O)N/N=C(\C=C\c1ccccc1)C[C@H]1OC(=O)c2ccccc21 ZINC000006482964 717104713 /nfs/dbraw/zinc/10/47/13/717104713.db2.gz UOZWALISYBCCPJ-IXHOHKMASA-O 1 0 392.479 3.180 40 50 GGGBRO C[N+]1(CC(Br)(Br)CBr)CCCCC1 ZINC000003164420 717095233 /nfs/dbraw/zinc/09/52/33/717095233.db2.gz UXWVLLKCSAKOJL-UHFFFAOYSA-N 1 0 378.954 3.498 40 50 GGGBRO