smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)O[C@@]23CC[C@@H]1[C@H]([NH3+])[C@@H]2C#CCc1cc(O)ccc1C[C@H]1C[C@H](CO)C[C@@H]3C1	ZINC000085543176	291233551	/nfs/dbraw/zinc/23/35/51/291233551.db2.gz	XODCGIDQNFSBNB-SBXGOCBESA-N	1	0	409.570	3.420	1	30	biogenic,in-vitro	HGEFRO
C[NH2+]C[C@H](C)CCCCCC(=O)C=C(O)C=Cc1cc(CCO)c(O)c(OC)c1	ZINC000085630729	291235752	/nfs/dbraw/zinc/23/57/52/291235752.db2.gz	KGOIXWRRTVYXAZ-OAGJVSPASA-N	1	0	405.535	3.283	1	30	biogenic,in-vitro	HGEFRO
COC(=O)C[N+]1(C)CCC(CCC(=O)[C@H]2Cc3cc(OC)c(OC)cc3S2)CC1	ZINC000028458828	717115591	/nfs/dbraw/zinc/11/55/91/717115591.db2.gz	NAOZAHRAUOKLTI-HEBXWJCKSA-N	1	0	422.567	3.100	1	30		HGEFRO
N#Cc1ccc(Cn2cncc2C[NH2+][C@@H]2CCN(c3cccc4ncccc43)C2=O)cc1	ZINC000034046696	581100993	/nfs/dbraw/zinc/10/09/93/581100993.db2.gz	BRCCXAUQKZKZAB-HSZRJFAPSA-N	1	0	422.492	3.246	1	30		HGEFRO
CC(C)C[C@H](Nc1ccc(-c2ccc(N3CC[NH2+]CC3)cc2)cc1)C(=O)NCC#N	ZINC000001553551	132247202	/nfs/dbraw/zinc/24/72/02/132247202.db2.gz	DNRVBUZMGUEKCJ-QHCPKHFHSA-N	1	0	405.546	3.230	1	30		HGEFRO
N#Cc1ccc(Cn2cncc2C[NH2+][C@@H]2CCN(Cc3cccc(Cl)c3)C2=O)cc1	ZINC000001494102	581101064	/nfs/dbraw/zinc/10/10/64/581101064.db2.gz	VYLMFRUDZGQCNT-JOCHJYFZSA-N	1	0	419.916	3.347	1	30		HGEFRO
C#CC[N+](C)(C)CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](c1ccccc1)C=C[C@@H]2c1ccccc1	ZINC000005881495	717102365	/nfs/dbraw/zinc/10/23/65/717102365.db2.gz	WQMGCNYUPXJMEE-NGSHPTGOSA-N	1	0	413.541	3.435	1	30		HGEFRO
C#CC[N+](C)(C)CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1	ZINC000013572121	717108313	/nfs/dbraw/zinc/10/83/13/717108313.db2.gz	WQMGCNYUPXJMEE-QORCZRPOSA-N	1	0	413.541	3.435	1	30		HGEFRO
C#CC[N+](C)(C)CCN1C(=O)[C@H]2[C@H](C1=O)[C@@H](c1ccccc1)C=C[C@@H]2c1ccccc1	ZINC000169298824	717154991	/nfs/dbraw/zinc/15/49/91/717154991.db2.gz	WQMGCNYUPXJMEE-ZGFBMJKBSA-N	1	0	413.541	3.435	1	30		HGEFRO
C#CC[N+](C)(C)CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccccc1)C=C[C@@H]2c1ccccc1	ZINC000100771373	717144046	/nfs/dbraw/zinc/14/40/46/717144046.db2.gz	WQMGCNYUPXJMEE-VPBXCIAMSA-N	1	0	413.541	3.435	1	30		HGEFRO
C[C@H](C=O)CCCCCCCCC[C@@H](NC1=[NH+]CC=C1)C(=CC(=O)[O-])CNC(N)=[NH2+]	ZINC000085510320	291241376	/nfs/dbraw/zinc/24/13/76/291241376.db2.gz	ABONAUXJSWBDJS-ATHWFRMKSA-N	1	0	418.562	3.211	1	30	biogenic,in-vitro	HGEFRO
COC(=O)C[N+]1(C)CCC(CCC(=O)[C@@H]2Cc3cc(OC)c(OC)cc3S2)CC1	ZINC000028458825	717115680	/nfs/dbraw/zinc/11/56/80/717115680.db2.gz	NAOZAHRAUOKLTI-UDOFLQGHSA-N	1	0	422.567	3.100	1	30		HGEFRO
C#CC[N+](C)(C)CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1	ZINC000100771369	717143964	/nfs/dbraw/zinc/14/39/64/717143964.db2.gz	WQMGCNYUPXJMEE-NDBXHCKUSA-N	1	0	413.541	3.435	1	30		HGEFRO
N#Cc1ccc(Cn2cncc2C[NH2+][C@H]2CCCCN(Cc3ccccc3)C2=O)cc1	ZINC000003945431	581101024	/nfs/dbraw/zinc/10/10/24/581101024.db2.gz	UOOPOGXXNZHSPG-DEOSSOPVSA-N	1	0	413.525	3.474	1	30		HGEFRO
O=C(/C=C/c1ccc2c(c1)nc(CCc1ccccc1)n2CC[NH+]1CCCC1)NO	ZINC000038192628	581101829	/nfs/dbraw/zinc/10/18/29/581101829.db2.gz	RCDIZKAYZBEALO-JLHYYAGUSA-N	1	0	404.514	3.436	1	30		HGEFRO
C#CC[N+](C)(C)CCN1C(=O)[C@H]2[C@@H](C1=O)[C@H](c1ccccc1)C=C[C@@H]2c1ccccc1	ZINC000104755257	717147690	/nfs/dbraw/zinc/14/76/90/717147690.db2.gz	WQMGCNYUPXJMEE-OQQNJPJOSA-N	1	0	413.541	3.435	1	30		HGEFRO
CC[C@@]1(C[NH2+]C)C#CC[C@@H](Cc2ccc(O)c(OC)c2)[C@@H](OC(C)=O)C[C@@H](O)CC1	ZINC000085628453	291234532	/nfs/dbraw/zinc/23/45/32/291234532.db2.gz	KAHBFDUBTDJEFL-CGCKEFBRSA-N	1	0	417.546	3.045	1	30	biogenic,in-vitro	HGEFRO