smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Br[C@H]1[C@H]2[C@H]3C[C@@H]1C[N+]32Cc1ccccc1 ZINC000004277194 717097871 /nfs/dbraw/zinc/09/78/71/717097871.db2.gz XHYJGHLAIHMIPV-DVKSKCSOSA-N 1 0 265.174 2.551 10 50 CFGERO C/C(=C/CBr)[C@H](Br)[N+](C)(C)C ZINC000207015815 717160888 /nfs/dbraw/zinc/16/08/88/717160888.db2.gz YJYYBCIAEMUYCG-GRKOMRHMSA-N 1 0 286.031 2.755 10 50 CFGERO C/C(=C\CBr)[C@@H](Br)[N+](C)(C)C ZINC000207015857 717160902 /nfs/dbraw/zinc/16/09/02/717160902.db2.gz YJYYBCIAEMUYCG-IVGLGHLBSA-N 1 0 286.031 2.755 10 50 CFGERO C/C(=C\CBr)[C@H](Br)[N+](C)(C)C ZINC000207015772 717160737 /nfs/dbraw/zinc/16/07/37/717160737.db2.gz YJYYBCIAEMUYCG-WVXIBAHESA-N 1 0 286.031 2.755 10 50 CFGERO C/C(=C/CBr)[C@@H](Br)[N+](C)(C)C ZINC000207015900 717160802 /nfs/dbraw/zinc/16/08/02/717160802.db2.gz YJYYBCIAEMUYCG-TVSKSKRASA-N 1 0 286.031 2.755 10 50 CFGERO Br[C@H]1[C@@H]2[C@@H]3C[C@H]1C[N@@+]32Cc1ccccc1 ZINC000263584604 717179713 /nfs/dbraw/zinc/17/97/13/717179713.db2.gz XHYJGHLAIHMIPV-AIUMHDJVSA-N 1 0 265.174 2.551 10 50 CFGERO Br[C@@H]1[C@@H]2[C@@H]3C[C@H]1C[N@@+]32Cc1ccccc1 ZINC000263584605 717179832 /nfs/dbraw/zinc/17/98/32/717179832.db2.gz XHYJGHLAIHMIPV-CXOVXGEYSA-N 1 0 265.174 2.551 10 50 CFGERO