smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000160263056	488790452	/nfs/dbraw/zinc/79/04/52/488790452.db2.gz	VZJJIXZVTWKQEI-RBUKOAKNSA-N	2	1	361.486	0.850	10	70		FCIEMP
O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000160263056	488790453	/nfs/dbraw/zinc/79/04/53/488790453.db2.gz	VZJJIXZVTWKQEI-RBUKOAKNSA-N	2	1	361.486	0.850	10	70		FCIEMP
CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNC(=O)c1cccnc1	ZINC000159538871	488785704	/nfs/dbraw/zinc/78/57/04/488785704.db2.gz	QAWAZSIJWWLJBE-KRWDZBQOSA-N	2	1	361.490	0.686	10	70		FCIEMP
O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000160262917	488790190	/nfs/dbraw/zinc/79/01/90/488790190.db2.gz	VZJJIXZVTWKQEI-OALUTQOASA-N	2	1	361.486	0.850	10	70		FCIEMP
O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000160262917	488790193	/nfs/dbraw/zinc/79/01/93/488790193.db2.gz	VZJJIXZVTWKQEI-OALUTQOASA-N	2	1	361.486	0.850	10	70		FCIEMP
COC(=O)Cn1cc(CC[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)nn1	ZINC000159935413	533786056	/nfs/dbraw/zinc/78/60/56/533786056.db2.gz	KUGJKXRTSRZQNZ-AWEZNQCLSA-N	2	1	353.467	0.018	10	70		FCIEMP
CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNC(=O)c1cccnc1	ZINC000159538716	488785607	/nfs/dbraw/zinc/78/56/07/488785607.db2.gz	QAWAZSIJWWLJBE-QGZVFWFLSA-N	2	1	361.490	0.686	10	70		FCIEMP
CC[NH+]1CCN(C(=O)CC2CC[NH+](CC3(O)CCOCC3)CC2)CC1	ZINC000160120854	488789329	/nfs/dbraw/zinc/78/93/29/488789329.db2.gz	NWKSNRYVBUZGDU-UHFFFAOYSA-N	2	1	353.507	0.794	10	70		FCIEMP
C[NH+]1CCN([C@@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)c2ccccc2)CC1	ZINC000160488554	488791714	/nfs/dbraw/zinc/79/17/14/488791714.db2.gz	OLOIWAJHAKDDIL-VQTJNVASSA-N	2	1	374.529	0.938	10	70		FCIEMP
C[NH+]1CCN([C@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)c2ccccc2)CC1	ZINC000160488446	488791661	/nfs/dbraw/zinc/79/16/61/488791661.db2.gz	OLOIWAJHAKDDIL-PMACEKPBSA-N	2	1	374.529	0.938	10	70		FCIEMP
COC(=O)Cn1cc(CC[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)nn1	ZINC000159935531	533784955	/nfs/dbraw/zinc/78/49/55/533784955.db2.gz	KUGJKXRTSRZQNZ-CQSZACIVSA-N	2	1	353.467	0.018	10	70		FCIEMP