smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)CN1CCc2ccccc2C1	ZINC000264134199	529074481	/nfs/dbraw/zinc/07/44/81/529074481.db2.gz	ZCORDPHFMWRVLR-MOPGFXCFSA-N	2	3	359.518	0.794	20	30		FCEDHP
CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)CN1CCc2ccccc2C1	ZINC000264134199	529074484	/nfs/dbraw/zinc/07/44/84/529074484.db2.gz	ZCORDPHFMWRVLR-MOPGFXCFSA-N	2	3	359.518	0.794	20	30		FCEDHP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)CN1CCc2ccccc2C1	ZINC000264134202	529100527	/nfs/dbraw/zinc/10/05/27/529100527.db2.gz	ZCORDPHFMWRVLR-OALUTQOASA-N	2	3	359.518	0.794	20	30		FCEDHP
CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)CN1CCc2ccccc2C1	ZINC000264134202	529100530	/nfs/dbraw/zinc/10/05/30/529100530.db2.gz	ZCORDPHFMWRVLR-OALUTQOASA-N	2	3	359.518	0.794	20	30		FCEDHP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)CN1CCc2ccccc2C1	ZINC000264134205	529101163	/nfs/dbraw/zinc/10/11/63/529101163.db2.gz	ZCORDPHFMWRVLR-RBUKOAKNSA-N	2	3	359.518	0.794	20	30		FCEDHP
CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)CN1CCc2ccccc2C1	ZINC000264134205	529101168	/nfs/dbraw/zinc/10/11/68/529101168.db2.gz	ZCORDPHFMWRVLR-RBUKOAKNSA-N	2	3	359.518	0.794	20	30		FCEDHP
C#CC[C@H](N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2	ZINC001219723381	1224575962	/nfs/dbraw/zinc/57/59/62/1224575962.db2.gz	LOOCLTDBMHHGNF-MOPGFXCFSA-N	2	3	354.498	0.955	20	30		FCEDHP
C#CC[C@H](N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2	ZINC001219723381	1224575972	/nfs/dbraw/zinc/57/59/72/1224575972.db2.gz	LOOCLTDBMHHGNF-MOPGFXCFSA-N	2	3	354.498	0.955	20	30		FCEDHP
CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000264072912	529100970	/nfs/dbraw/zinc/10/09/70/529100970.db2.gz	DPLAVQWFOTWZHL-SFHVURJKSA-N	2	3	374.533	0.867	20	30		FCEDHP
CC[NH+]1CCN(CCCCNC(=[NH2+])NCCCN2CCOCC2)CC1	ZINC000303898605	674572956	/nfs/dbraw/zinc/57/29/56/674572956.db2.gz	REQPUALZKXQWRK-UHFFFAOYSA-N	2	3	354.543	0.031	20	30		FCEDHP
C[NH+]=C(NCCN1CCC[N@H+](C)CC1)N1CC[C@H](N2CCCCC2)C1	ZINC000262498588	526355894	/nfs/dbraw/zinc/35/58/94/526355894.db2.gz	XJEMOZIXKJSOGV-SFHVURJKSA-N	2	3	350.555	0.760	20	30		FCEDHP
C[NH+]=C(NCCN1CCC[N@@H+](C)CC1)N1CC[C@H](N2CCCCC2)C1	ZINC000262498588	526355902	/nfs/dbraw/zinc/35/59/02/526355902.db2.gz	XJEMOZIXKJSOGV-SFHVURJKSA-N	2	3	350.555	0.760	20	30		FCEDHP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)CN1CCc2ccccc2C1	ZINC000264134209	529075200	/nfs/dbraw/zinc/07/52/00/529075200.db2.gz	ZCORDPHFMWRVLR-RTBURBONSA-N	2	3	359.518	0.794	20	30		FCEDHP
CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)CN1CCc2ccccc2C1	ZINC000264134209	529075204	/nfs/dbraw/zinc/07/52/04/529075204.db2.gz	ZCORDPHFMWRVLR-RTBURBONSA-N	2	3	359.518	0.794	20	30		FCEDHP
C[NH+]=C(NCc1ccnc(N2CC[NH+](C)CC2)c1)N[C@H]1CCN(C2CC2)C1	ZINC000083167541	1193731247	/nfs/dbraw/zinc/73/12/47/1193731247.db2.gz	SKMNYRQRZCUUCD-KRWDZBQOSA-N	2	3	371.533	0.735	20	30		FCEDHP
N#Cc1ccc(CN(C(=O)[C@@H]2C[NH2+]CC23CNC3)[C@H]2CC[C@H]([NH3+])CC2)cc1	ZINC001221183844	1225258330	/nfs/dbraw/zinc/25/83/30/1225258330.db2.gz	OLOCFFJEWSCMHJ-FHWLQOOXSA-N	2	3	367.497	0.966	20	30		FCEDHP
C[NH+]=C(NCCN1CCC[N@H+](C)CC1)N1CC[C@@H](N2CCCCC2)C1	ZINC000262498586	526356542	/nfs/dbraw/zinc/35/65/42/526356542.db2.gz	XJEMOZIXKJSOGV-GOSISDBHSA-N	2	3	350.555	0.760	20	30		FCEDHP
C[NH+]=C(NCCN1CCC[N@@H+](C)CC1)N1CC[C@@H](N2CCCCC2)C1	ZINC000262498586	526356548	/nfs/dbraw/zinc/35/65/48/526356548.db2.gz	XJEMOZIXKJSOGV-GOSISDBHSA-N	2	3	350.555	0.760	20	30		FCEDHP
CCN1CCC[C@H]1CNC(=[NH2+])NCCCC[NH+]1CCC(C(N)=O)CC1	ZINC000303895367	674572984	/nfs/dbraw/zinc/57/29/84/674572984.db2.gz	PKALWGCZQUBHGN-INIZCTEOSA-N	2	3	352.527	0.353	20	30		FCEDHP
CCN1CCC[C@@H]1CNC(=[NH2+])NCCCC[NH+]1CCC(C(N)=O)CC1	ZINC000303895369	674573073	/nfs/dbraw/zinc/57/30/73/674573073.db2.gz	PKALWGCZQUBHGN-MRXNPFEDSA-N	2	3	352.527	0.353	20	30		FCEDHP
CCN1CCC[C@H]1CNC(=[NH2+])NCCCN1CCN(c2cc[nH+]cc2)CC1	ZINC000264119535	529100897	/nfs/dbraw/zinc/10/08/97/529100897.db2.gz	ULPXZIXJUOCTLQ-IBGZPJMESA-N	2	3	373.549	0.982	20	30		FCEDHP
N#Cc1ccc(CN(C(=O)[C@H]2C[NH2+]CC23CNC3)[C@H]2CC[C@H]([NH3+])CC2)cc1	ZINC001221183846	1225259100	/nfs/dbraw/zinc/25/91/00/1225259100.db2.gz	OLOCFFJEWSCMHJ-GUDVDZBRSA-N	2	3	367.497	0.966	20	30		FCEDHP
CCN1CCC[C@@H]1CNC(=[NH2+])NCCCN1CCN(c2cc[nH+]cc2)CC1	ZINC000264119540	529071388	/nfs/dbraw/zinc/07/13/88/529071388.db2.gz	ULPXZIXJUOCTLQ-LJQANCHMSA-N	2	3	373.549	0.982	20	30		FCEDHP
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000264072908	529074896	/nfs/dbraw/zinc/07/48/96/529074896.db2.gz	DPLAVQWFOTWZHL-GOSISDBHSA-N	2	3	374.533	0.867	20	30		FCEDHP
C#CC[C@H](N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2	ZINC001219723383	1224577388	/nfs/dbraw/zinc/57/73/88/1224577388.db2.gz	LOOCLTDBMHHGNF-OALUTQOASA-N	2	3	354.498	0.955	20	30		FCEDHP
C#CC[C@H](N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2	ZINC001219723383	1224577391	/nfs/dbraw/zinc/57/73/91/1224577391.db2.gz	LOOCLTDBMHHGNF-OALUTQOASA-N	2	3	354.498	0.955	20	30		FCEDHP