smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1cc(=O)[nH]c(C[NH2+][C@H](c2ccccc2)c2ccc(C)cc2)n1	ZINC000160544214	564081999	/nfs/dbraw/zinc/08/19/99/564081999.db2.gz	CSFSUUKBMSTRPC-OAQYLSRUSA-N	1	2	333.435	3.932	50	70		EHIALO
O[C@@H](C[C@@H]1CCCN1c1cc[nH+]c(C2CC2)n1)c1ccc(F)cc1	ZINC000161176526	564118808	/nfs/dbraw/zinc/11/88/08/564118808.db2.gz	OAHZUPZAXFDBQK-IRXDYDNUSA-N	1	2	327.403	3.586	50	70		EHIALO
O[C@H](C[C@H]1CCCN1c1cc[nH+]c(C2CC2)n1)c1ccc(F)cc1	ZINC000161176662	257955634	/nfs/dbraw/zinc/95/56/34/257955634.db2.gz	OAHZUPZAXFDBQK-IAGOWNOFSA-N	1	2	327.403	3.586	50	70		EHIALO
CCc1cc(=O)[nH]c(C[NH2+][C@@H](c2ccccc2)c2ccc(C)cc2)n1	ZINC000160544109	564081977	/nfs/dbraw/zinc/08/19/77/564081977.db2.gz	CSFSUUKBMSTRPC-NRFANRHFSA-N	1	2	333.435	3.932	50	70		EHIALO
CN(Cc1[nH]cc[nH+]1)C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	ZINC000216939670	241225351	/nfs/dbraw/zinc/22/53/51/241225351.db2.gz	FOQYDWZGCJKNNR-UHFFFAOYSA-N	1	2	343.471	3.983	50	70		EHIALO
c1csc([C@@H]2C[N@H+](Cc3cnc(-c4ccccc4)s3)CCO2)n1	ZINC000161436689	563998507	/nfs/dbraw/zinc/99/85/07/563998507.db2.gz	BTJDPGXFMVDGQU-HNNXBMFYSA-N	1	2	343.477	3.840	50	70		EHIALO
c1csc([C@@H]2C[N@@H+](Cc3cnc(-c4ccccc4)s3)CCO2)n1	ZINC000161436689	563998508	/nfs/dbraw/zinc/99/85/08/563998508.db2.gz	BTJDPGXFMVDGQU-HNNXBMFYSA-N	1	2	343.477	3.840	50	70		EHIALO
O[C@H](C[C@@H]1CCCN1c1cc[nH+]c(C2CC2)n1)c1ccc(F)cc1	ZINC000161176422	564118785	/nfs/dbraw/zinc/11/87/85/564118785.db2.gz	OAHZUPZAXFDBQK-DLBZAZTESA-N	1	2	327.403	3.586	50	70		EHIALO
CC1=C(c2ccccc2)[C@H]1C(=O)NCc1ccc2c(c1)[nH+]c(C)n2C	ZINC000218000005	535238473	/nfs/dbraw/zinc/23/84/73/535238473.db2.gz	XRUQYNMQPUYXPY-FQEVSTJZSA-N	1	2	331.419	3.601	50	70		EHIALO
Cc1[nH]c2ccc(CNC(=O)Cc3ccccc3C(F)(F)F)cc2[nH+]1	ZINC000218581526	241332137	/nfs/dbraw/zinc/33/21/37/241332137.db2.gz	PJCGRRFKIRNSAV-UHFFFAOYSA-N	1	2	347.340	3.749	50	70		EHIALO
Cc1[nH]c2cc(CNC(=O)Cc3ccccc3C(F)(F)F)ccc2[nH+]1	ZINC000218581526	241332142	/nfs/dbraw/zinc/33/21/42/241332142.db2.gz	PJCGRRFKIRNSAV-UHFFFAOYSA-N	1	2	347.340	3.749	50	70		EHIALO
c1csc([C@H]2C[N@H+](Cc3cnc(-c4ccccc4)s3)CCO2)n1	ZINC000161436815	563998522	/nfs/dbraw/zinc/99/85/22/563998522.db2.gz	BTJDPGXFMVDGQU-OAHLLOKOSA-N	1	2	343.477	3.840	50	70		EHIALO
c1csc([C@H]2C[N@@H+](Cc3cnc(-c4ccccc4)s3)CCO2)n1	ZINC000161436815	563998523	/nfs/dbraw/zinc/99/85/23/563998523.db2.gz	BTJDPGXFMVDGQU-OAHLLOKOSA-N	1	2	343.477	3.840	50	70		EHIALO
CC(=O)NC1CCC(Nc2cccc([NH+]3CCCCCC3)c2)CC1	ZINC000161186966	564119119	/nfs/dbraw/zinc/11/91/19/564119119.db2.gz	DPQHHAPWRFRUOZ-UHFFFAOYSA-N	1	2	329.488	3.926	50	70		EHIALO
O[C@@H](C[C@H]1CCCN1c1cc[nH+]c(C2CC2)n1)c1ccc(F)cc1	ZINC000161176770	564118800	/nfs/dbraw/zinc/11/88/00/564118800.db2.gz	OAHZUPZAXFDBQK-SJORKVTESA-N	1	2	327.403	3.586	50	70		EHIALO
CC1=C(c2ccccc2)[C@@H]1C(=O)NCc1ccc2c(c1)[nH+]c(C)n2C	ZINC000217999935	535238990	/nfs/dbraw/zinc/23/89/90/535238990.db2.gz	XRUQYNMQPUYXPY-HXUWFJFHSA-N	1	2	331.419	3.601	50	70		EHIALO