smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CO[C@@H](C)C(=O)NCc1c[nH+]c[nH]1	160810366	538049353	/nfs/dbraw/zinc/04/93/53/538049353.db2.gz	ODZVIZFPVBJFLL-LURJTMIESA-N	1	2	183.211	0.061	20	70		ACIDLO
CO[C@@H](C)C(=O)NCc1c[nH]c[nH+]1	160810366	538049360	/nfs/dbraw/zinc/04/93/60/538049360.db2.gz	ODZVIZFPVBJFLL-LURJTMIESA-N	1	2	183.211	0.061	20	70		ACIDLO
CO[C@H](C)C(=O)NCc1c[nH+]c[nH]1	160810485	538051238	/nfs/dbraw/zinc/05/12/38/538051238.db2.gz	ODZVIZFPVBJFLL-ZCFIWIBFSA-N	1	2	183.211	0.061	20	70		ACIDLO
CO[C@H](C)C(=O)NCc1c[nH]c[nH+]1	160810485	538051250	/nfs/dbraw/zinc/05/12/50/538051250.db2.gz	ODZVIZFPVBJFLL-ZCFIWIBFSA-N	1	2	183.211	0.061	20	70		ACIDLO
CO[C@@H](C)C(=O)NCCn1cc[nH+]c1	160510158	344168201	/nfs/dbraw/zinc/16/82/01/344168201.db2.gz	ONAYMQVQLLGIHQ-QMMMGPOBSA-N	1	2	197.238	0.034	20	70		ACIDLO
COc1ccc[nH+]c1N(C)C[C@H](C)O	160307267	344162998	/nfs/dbraw/zinc/16/29/98/344162998.db2.gz	VQLMITQAAKOYHY-QMMMGPOBSA-N	1	2	196.250	0.907	20	70		ACIDLO
CO[C@H](C)C(=O)NCc1[nH+]ccn1C	160597969	344171576	/nfs/dbraw/zinc/17/15/76/344171576.db2.gz	PPGQVLQDOJBFJE-SSDOTTSWSA-N	1	2	197.238	0.071	20	70		ACIDLO
CO[C@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1	160618848	344171793	/nfs/dbraw/zinc/17/17/93/344171793.db2.gz	PSNLFOKIDLFTMS-SSDOTTSWSA-N	1	2	197.238	0.403	20	70		ACIDLO
CO[C@H](C)C(=O)NCc1[nH]cc[nH+]1	160625560	344171903	/nfs/dbraw/zinc/17/19/03/344171903.db2.gz	YWSOHWLMMHJQFJ-ZCFIWIBFSA-N	1	2	183.211	0.061	20	70		ACIDLO
CO[C@@H](C)C(=O)NCc1[nH+]ccn1C	160597847	344171566	/nfs/dbraw/zinc/17/15/66/344171566.db2.gz	PPGQVLQDOJBFJE-ZETCQYMHSA-N	1	2	197.238	0.071	20	70		ACIDLO
Cn1cc(OCc2c[nH+]cn2C)cn1	161358611	344189960	/nfs/dbraw/zinc/18/99/60/344189960.db2.gz	DKHFWMNQXFKJET-UHFFFAOYSA-N	1	2	192.222	0.733	20	70		ACIDLO
COc1ccc[nH+]c1N(C)CCO	160304017	325625154	/nfs/dbraw/zinc/62/51/54/325625154.db2.gz	AIDCYGVWGYPQCD-UHFFFAOYSA-N	1	2	182.223	0.519	20	70		ACIDLO
CO[C@H](C)C(=O)NCCn1cc[nH+]c1	160510259	344168175	/nfs/dbraw/zinc/16/81/75/344168175.db2.gz	ONAYMQVQLLGIHQ-MRVPVSSYSA-N	1	2	197.238	0.034	20	70		ACIDLO
O=c1sccn1CCn1cc[nH+]c1	160538995	344168853	/nfs/dbraw/zinc/16/88/53/344168853.db2.gz	ZCDQAQFCIQAXKO-UHFFFAOYSA-N	1	2	195.247	0.807	20	70		ACIDLO
CO[C@@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1	160618717	344171814	/nfs/dbraw/zinc/17/18/14/344171814.db2.gz	PSNLFOKIDLFTMS-ZETCQYMHSA-N	1	2	197.238	0.403	20	70		ACIDLO
CO[C@@H](C)C(=O)NCc1[nH]cc[nH+]1	160625434	344172040	/nfs/dbraw/zinc/17/20/40/344172040.db2.gz	YWSOHWLMMHJQFJ-LURJTMIESA-N	1	2	183.211	0.061	20	70		ACIDLO
C[C@H](CO)SCCn1cc[nH+]c1	161006585	344182776	/nfs/dbraw/zinc/18/27/76/344182776.db2.gz	QDAUZDBQTIQXOX-MRVPVSSYSA-N	1	2	186.280	0.997	20	70		ACIDLO
C[C@@H](CO)SCCn1cc[nH+]c1	161006498	344182822	/nfs/dbraw/zinc/18/28/22/344182822.db2.gz	QDAUZDBQTIQXOX-QMMMGPOBSA-N	1	2	186.280	0.997	20	70		ACIDLO
Cc1c[nH+]ccc1NC(N)=O	218181266	344410265	/nfs/dbraw/zinc/41/02/65/344410265.db2.gz	WZJKMYMBWANQBO-UHFFFAOYSA-N	1	2	151.169	0.881	20	70		ACIDLO
CNC(=O)CNc1[nH+]cccc1OC	160202144	351755692	/nfs/dbraw/zinc/75/56/92/351755692.db2.gz	PNEPADXGMKVKQI-UHFFFAOYSA-N	1	2	195.222	0.248	20	70		ACIDLO
COc1ccc[nH+]c1N(C)C[C@@H](C)O	160307392	351756052	/nfs/dbraw/zinc/75/60/52/351756052.db2.gz	VQLMITQAAKOYHY-MRVPVSSYSA-N	1	2	196.250	0.907	20	70		ACIDLO