smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S(=O)(F)c1ccc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nn1	ZINC001164737007	720584352	/nfs/dbraw/zinc/58/43/52/720584352.db2.gz	YFESBBDICOFIDL-UHFFFAOYSA-N	1	0	380.449	0.990	20	70		GCIDRO
O=C(CCn1cc(Br)ccc1=O)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000160441156	530560657	/nfs/dbraw/zinc/56/06/57/530560657.db2.gz	UUOWDXGQQKYYTC-CQSZACIVSA-N	1	0	386.290	0.964	20	70		GCIDRO
C[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)C1	ZINC000160802143	530330890	/nfs/dbraw/zinc/33/08/90/530330890.db2.gz	AFFCNZMZOWQNEP-QMMMGPOBSA-N	1	0	382.305	0.609	20	70		GCIDRO
CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCC[NH3+])c2)CC1	ZINC000160140315	530329882	/nfs/dbraw/zinc/32/98/82/530329882.db2.gz	MKMIRWFQLPBODZ-UHFFFAOYSA-N	1	0	388.921	0.745	20	70		GCIDRO
CN(CC(=O)NCC(C)(C)[NH3+])S(=O)(=O)c1ccc(Br)cc1	ZINC000160065240	530329958	/nfs/dbraw/zinc/32/99/58/530329958.db2.gz	HHKAEBLMIKQQKH-UHFFFAOYSA-N	1	0	378.292	0.923	20	70		GCIDRO
C[C@H](CNC(=O)C(=O)Nc1ccc(Br)nc1)C[NH+]1CCN(C)CC1	ZINC000160394397	530330423	/nfs/dbraw/zinc/33/04/23/530330423.db2.gz	VEWWTHMCDMWNRD-GFCCVEGCSA-N	1	0	398.305	0.782	20	70		GCIDRO
C[NH2+][C@@H]1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)C1	ZINC000160708764	530331007	/nfs/dbraw/zinc/33/10/07/530331007.db2.gz	MRUJALAJTVJBQV-GFCCVEGCSA-N	1	0	390.303	0.890	20	70		GCIDRO
C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)nc1)C[NH+]1CCN(C)CC1	ZINC000160394250	530330341	/nfs/dbraw/zinc/33/03/41/530330341.db2.gz	VEWWTHMCDMWNRD-LBPRGKRZSA-N	1	0	398.305	0.782	20	70		GCIDRO
C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1cccc(I)c1	ZINC000161426132	530331981	/nfs/dbraw/zinc/33/19/81/530331981.db2.gz	JQTYMVCLCHKMEC-GFCCVEGCSA-N	1	0	398.266	0.882	20	70		GCIDRO
C[NH2+][C@@H]1CCN(C(=O)c2cc(Br)cc(S(N)(=O)=O)c2C)C1	ZINC000160638324	530331061	/nfs/dbraw/zinc/33/10/61/530331061.db2.gz	JQBXGMMELCQUTC-SNVBAGLBSA-N	1	0	376.276	0.839	20	70		GCIDRO
C[NH2+]C[C@@H]1CCCN1C(=O)Cn1cnc2c(c(Br)nn2C)c1=O	ZINC000161257137	530331809	/nfs/dbraw/zinc/33/18/09/530331809.db2.gz	VCGRNJIBSPQFQI-VIFPVBQESA-N	1	0	383.250	0.103	20	70		GCIDRO
C[NH2+]C[C@H]1CCCN1C(=O)Cn1cnc2c(c(Br)nn2C)c1=O	ZINC000161257274	530332003	/nfs/dbraw/zinc/33/20/03/530332003.db2.gz	VCGRNJIBSPQFQI-SECBINFHSA-N	1	0	383.250	0.103	20	70		GCIDRO
O=C(CCn1cc(Br)ccc1=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000160441031	530560700	/nfs/dbraw/zinc/56/07/00/530560700.db2.gz	UUOWDXGQQKYYTC-AWEZNQCLSA-N	1	0	386.290	0.964	20	70		GCIDRO
C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(S(=O)(=O)F)ccn1)CC2	ZINC001164754858	720969676	/nfs/dbraw/zinc/96/96/76/720969676.db2.gz	YQMPZPVKNUTKJJ-UHFFFAOYSA-N	1	0	397.432	0.582	20	70		GCIDRO
C[NH+](C)CCOCc1ncn2c1CN(c1ccc(S(=O)(=O)F)nn1)CCC2	ZINC001165004992	722256646	/nfs/dbraw/zinc/25/66/46/722256646.db2.gz	ZDVYXFCFSVPCCZ-UHFFFAOYSA-N	1	0	398.464	0.820	20	70		GCIDRO
C[NH2+][C@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)C1	ZINC000160602521	530330687	/nfs/dbraw/zinc/33/06/87/530330687.db2.gz	NKLOCLFWQPMJFK-LBPRGKRZSA-N	1	0	390.303	0.938	20	70		GCIDRO
C[NH2+][C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)C1	ZINC000160602409	530330807	/nfs/dbraw/zinc/33/08/07/530330807.db2.gz	NKLOCLFWQPMJFK-GFCCVEGCSA-N	1	0	390.303	0.938	20	70		GCIDRO
C[NH2+][C@H]1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)C1	ZINC000160708893	530331053	/nfs/dbraw/zinc/33/10/53/530331053.db2.gz	MRUJALAJTVJBQV-LBPRGKRZSA-N	1	0	390.303	0.890	20	70		GCIDRO
C[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)C1	ZINC000160802012	530330936	/nfs/dbraw/zinc/33/09/36/530330936.db2.gz	AFFCNZMZOWQNEP-MRVPVSSYSA-N	1	0	382.305	0.609	20	70		GCIDRO
C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1cccc(I)c1	ZINC000161426276	530331696	/nfs/dbraw/zinc/33/16/96/530331696.db2.gz	JQTYMVCLCHKMEC-LBPRGKRZSA-N	1	0	398.266	0.882	20	70		GCIDRO
C[NH2+][C@H]1CCN(C(=O)c2cc(Br)cc(S(N)(=O)=O)c2C)C1	ZINC000160638191	530330928	/nfs/dbraw/zinc/33/09/28/530330928.db2.gz	JQBXGMMELCQUTC-JTQLQIEISA-N	1	0	376.276	0.839	20	70		GCIDRO
C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(S(=O)(=O)F)ccn2)CC3)CC1	ZINC001164794432	721522440	/nfs/dbraw/zinc/52/24/40/721522440.db2.gz	DCCOGXSMNIQAGR-UHFFFAOYSA-N	1	0	394.476	0.704	20	70		GCIDRO
C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc(S(=O)(=O)F)nn2)CC3)CC1	ZINC001164796200	721519256	/nfs/dbraw/zinc/51/92/56/721519256.db2.gz	YAFQIEBJMOCYPD-UHFFFAOYSA-N	1	0	395.464	0.099	20	70		GCIDRO