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)NN=Cc1c2ccccc2cc2ccccc21	ZINC000254556748	717170582	/nfs/dbraw/zinc/17/05/82/717170582.db2.gz	MVHLJUGWXBEORK-UHFFFAOYSA-O	1	0	320.416	3.149	20	50		DGGDRO
CC(=NNC(=O)C[N+](C)(C)C)c1ccccc1SC(C)(C)C	ZINC000794457005	717189936	/nfs/dbraw/zinc/18/99/36/717189936.db2.gz	OHLUNUDGFFDFQH-UHFFFAOYSA-O	1	0	322.498	3.124	20	50		DGGDRO
CC(/C=C/C1=C(C)CCCC1(C)C)=NNC(=O)C[N+](C)(C)C	ZINC000916270965	717194202	/nfs/dbraw/zinc/19/42/02/717194202.db2.gz	WXSGPMKXDWYDEG-WOJQORCVSA-O	1	0	306.474	3.268	20	50		DGGDRO
Cc1c(C=NNC(=O)C[N+](C)(C)C)sc2c1cccc2Cl	ZINC000814694459	717190786	/nfs/dbraw/zinc/19/07/86/717190786.db2.gz	LFFDXZACHBURML-UHFFFAOYSA-O	1	0	324.857	3.019	20	50		DGGDRO
CC(C)(C)CC(=NNC(=O)C[N+](C)(C)C)c1ccc(Cl)cc1	ZINC000794457139	717189996	/nfs/dbraw/zinc/18/99/96/717189996.db2.gz	OIKURHMNZXOQEU-UHFFFAOYSA-O	1	0	324.876	3.303	20	50		DGGDRO
CC(Cc1ccc(-c2ccccc2)cc1)=NNC(=O)C[N+](C)(C)C	ZINC000916270396	717192804	/nfs/dbraw/zinc/19/28/04/717192804.db2.gz	CGSPUQHMWSITQI-UHFFFAOYSA-O	1	0	324.448	3.094	20	50		DGGDRO
CC(/C=C\C1=C(C)CCCC1(C)C)=NNC(=O)C[N+](C)(C)C	ZINC000916270964	717193977	/nfs/dbraw/zinc/19/39/77/717193977.db2.gz	WXSGPMKXDWYDEG-AWZWMJPBSA-O	1	0	306.474	3.268	20	50		DGGDRO
Cc1cc(C)cc(-c2ccc(C=NNC(=O)C[N+](C)(C)C)cc2)c1	ZINC000794457897	717190366	/nfs/dbraw/zinc/19/03/66/717190366.db2.gz	WJIJIXFASUDNOD-UHFFFAOYSA-O	1	0	324.448	3.127	20	50		DGGDRO
CC(C)CC(Cc1cccc(Cl)c1)=NNC(=O)C[N+](C)(C)C	ZINC000794458282	717190906	/nfs/dbraw/zinc/19/09/06/717190906.db2.gz	ZIYGNNLQJILPHZ-UHFFFAOYSA-O	1	0	324.876	3.107	20	50		DGGDRO
CC(C)CCC(=NNC(=O)C[N+](C)(C)C)c1ccc(Cl)cc1	ZINC000920361644	717194046	/nfs/dbraw/zinc/19/40/46/717194046.db2.gz	UKUPDTYAKIASIF-UHFFFAOYSA-O	1	0	324.876	3.303	20	50		DGGDRO
CC(=NNC(=O)C[N+](C)(C)C)c1cc2c(ccc3ccccc23)o1	ZINC000916270713	717192685	/nfs/dbraw/zinc/19/26/85/717192685.db2.gz	OXLOFGFUQDPJQA-UHFFFAOYSA-O	1	0	324.404	3.132	20	50		DGGDRO
CC(=NNC(=O)C[N+](C)(C)C)c1ccc(C2CCCCC2)cc1	ZINC000916270382	717192672	/nfs/dbraw/zinc/19/26/72/717192672.db2.gz	BAZQZJIMWPMDQG-UHFFFAOYSA-O	1	0	316.469	3.281	20	50		DGGDRO
CC(C)C(CCc1ccc(Cl)cc1)=NNC(=O)C[N+](C)(C)C	ZINC000794456635	717190003	/nfs/dbraw/zinc/19/00/03/717190003.db2.gz	LXCSTOLQCMLQEM-UHFFFAOYSA-O	1	0	324.876	3.107	20	50		DGGDRO