smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSS(=O)(=O)OC[N+](C)(C)C	ZINC000205421418	717159932	/nfs/dbraw/zinc/15/99/32/717159932.db2.gz	DDRWCDGFMWBVOW-UHFFFAOYSA-N	1	0	200.305	0.275	2	50		BCGFRO
O[C@@H](CCl)CN1CC[N+]2(CCCC2)CC1	ZINC000029322066	717118611	/nfs/dbraw/zinc/11/86/11/717118611.db2.gz	KWQKJQQUBSWSEO-NSHDSACASA-N	1	0	233.763	0.512	1	50		BCGFRO
C[C@H](O)C[N+](C)(C)CI	ZINC000013822367	717110159	/nfs/dbraw/zinc/11/01/59/717110159.db2.gz	DITNCIWAVBNKBH-LURJTMIESA-N	1	0	244.096	0.836	1	50		BCGFRO
O[C@H](CCl)CN1CC[N+]2(CCCC2)CC1	ZINC000029322071	717118388	/nfs/dbraw/zinc/11/83/88/717118388.db2.gz	KWQKJQQUBSWSEO-LLVKDONJSA-N	1	0	233.763	0.512	1	50		BCGFRO
CSS(=O)(=O)OCCC[N+](C)(C)C	ZINC000205421437	717159892	/nfs/dbraw/zinc/15/98/92/717159892.db2.gz	IIFPRAYSVHMILY-UHFFFAOYSA-N	1	0	228.359	0.707	2	50		BCGFRO
CC(=O)OCC[N+](C)(C)CBr	ZINC000026147881	717113519	/nfs/dbraw/zinc/11/35/19/717113519.db2.gz	ZLLIPXIZQIATCG-UHFFFAOYSA-N	1	0	225.106	0.978	1	50		BCGFRO
C[C@@H](O)C[N+](C)(C)CI	ZINC000013822365	717110175	/nfs/dbraw/zinc/11/01/75/717110175.db2.gz	DITNCIWAVBNKBH-ZCFIWIBFSA-N	1	0	244.096	0.836	1	50		BCGFRO