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)CNC(=O)[C@H](C)[N@H+](C)C[C@H](C)O	ZINC000159575892	345443927	/nfs/dbraw/zinc/44/39/27/345443927.db2.gz	AJOJPNDMISLHAC-YUMQZZPRSA-N	1	0	232.280	-1.023	20	70		BAIDRO
COC(=O)CNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)O	ZINC000159576001	345443410	/nfs/dbraw/zinc/44/34/10/345443410.db2.gz	AJOJPNDMISLHAC-SFYZADRCSA-N	1	0	232.280	-1.023	20	70		BAIDRO
CCOC(=O)[C@H](N)C(=O)NCC[NH+](C)C	ZINC000160036462	353110687	/nfs/dbraw/zinc/11/06/87/353110687.db2.gz	OKQWZONWFBAWNW-SSDOTTSWSA-N	1	0	217.269	-1.445	20	70		BAIDRO
CCOC(=O)[C@@H](N)C(=O)NCC[NH+](C)C	ZINC000160036589	353111035	/nfs/dbraw/zinc/11/10/35/353111035.db2.gz	OKQWZONWFBAWNW-ZETCQYMHSA-N	1	0	217.269	-1.445	20	70		BAIDRO
CC(C)([NH3+])CNS(=O)(=O)N1CCOCC1	ZINC000160142959	388047371	/nfs/dbraw/zinc/04/73/71/388047371.db2.gz	LDDYQZBPNSLGOI-UHFFFAOYSA-N	1	0	237.325	-1.110	20	70		BAIDRO
CC(C)NS(=O)(=O)N1CCO[C@H](C[NH3+])C1	ZINC000160147467	167125806	/nfs/dbraw/zinc/12/58/06/167125806.db2.gz	JHOBALGVYRDZMP-MRVPVSSYSA-N	1	0	237.325	-1.111	20	70		BAIDRO
CC(C)NS(=O)(=O)N1CCO[C@@H](C[NH3+])C1	ZINC000160147608	167126694	/nfs/dbraw/zinc/12/66/94/167126694.db2.gz	JHOBALGVYRDZMP-QMMMGPOBSA-N	1	0	237.325	-1.111	20	70		BAIDRO
CCCNS(=O)(=O)N1CCO[C@H](C[NH3+])C1	ZINC000160147745	169270450	/nfs/dbraw/zinc/27/04/50/169270450.db2.gz	SHMSLUVKGNNIDZ-MRVPVSSYSA-N	1	0	237.325	-1.110	20	70		BAIDRO
CCCNS(=O)(=O)N1CCO[C@@H](C[NH3+])C1	ZINC000160147886	169270980	/nfs/dbraw/zinc/27/09/80/169270980.db2.gz	SHMSLUVKGNNIDZ-QMMMGPOBSA-N	1	0	237.325	-1.110	20	70		BAIDRO
CCCNS(=O)(=O)NC[C@@H]1C[NH2+]CCO1	ZINC000160245049	169271921	/nfs/dbraw/zinc/27/19/21/169271921.db2.gz	BIGKPZJWNHSYCS-QMMMGPOBSA-N	1	0	237.325	-1.191	20	70		BAIDRO
CCCNS(=O)(=O)NC[C@H]1C[NH2+]CCO1	ZINC000160245196	169271665	/nfs/dbraw/zinc/27/16/65/169271665.db2.gz	BIGKPZJWNHSYCS-MRVPVSSYSA-N	1	0	237.325	-1.191	20	70		BAIDRO
[NH3+]C[C@H]1CCCN1C(=O)CN1CCNCC1=O	ZINC000160396141	488128124	/nfs/dbraw/zinc/12/81/24/488128124.db2.gz	XKOTUQQWXKNSEC-SECBINFHSA-N	1	0	240.307	-1.632	20	70		BAIDRO
COCCN(CC[NH3+])CC(=O)N(C)C	ZINC000160765374	133510115	/nfs/dbraw/zinc/51/01/15/133510115.db2.gz	NTDCNMLAFMRJFC-UHFFFAOYSA-N	1	0	203.286	-1.018	20	70		BAIDRO
CCNS(=O)(=O)NCC[NH2+]CCOC	ZINC000160958630	170134933	/nfs/dbraw/zinc/13/49/33/170134933.db2.gz	RWXBTHSWJDVMGN-UHFFFAOYSA-N	1	0	225.314	-1.334	20	70		BAIDRO
CC(C)NS(=O)(=O)NCC[NH2+]C[C@@H](C)O	ZINC000160966120	487533679	/nfs/dbraw/zinc/53/36/79/487533679.db2.gz	GCXFEWJYAXTHQA-MRVPVSSYSA-N	1	0	239.341	-1.211	20	70		BAIDRO
CC(C)NS(=O)(=O)NCC[NH2+]C[C@H](C)O	ZINC000160966203	323091261	/nfs/dbraw/zinc/09/12/61/323091261.db2.gz	GCXFEWJYAXTHQA-QMMMGPOBSA-N	1	0	239.341	-1.211	20	70		BAIDRO
C[C@@H](C(=O)NC(N)=O)N1CCC[C@@H]([NH3+])C1	ZINC000217527670	134248182	/nfs/dbraw/zinc/24/81/82/134248182.db2.gz	PPTDBEGFNJCHER-NKWVEPMBSA-N	1	0	214.269	-1.007	20	70		BAIDRO
C[C@H](C(=O)NC(N)=O)N1CCC[C@@H]([NH3+])C1	ZINC000217527766	134248603	/nfs/dbraw/zinc/24/86/03/134248603.db2.gz	PPTDBEGFNJCHER-RNFRBKRXSA-N	1	0	214.269	-1.007	20	70		BAIDRO