smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+](C)(C)[C@@H](Cc1cc(Br)c(O)c(Br)c1)C(=O)[O-]	ZINC000013349830	717107753	/nfs/dbraw/zinc/10/77/53/717107753.db2.gz	GLYRJOBFHAWKCJ-JTQLQIEISA-O	0	2	382.072	2.619	1	30		GFEFLN
C=CC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])c2n3[C@H](C)S2)CC1	ZINC000027526453	203785240	/nfs/dbraw/zinc/78/52/40/203785240.db2.gz	MQEAKMHUQOXBCI-NSHDSACASA-N	0	2	389.452	2.771	1	30		GFEFLN
CCO[C@H](C)C=C1C(=O)C(=O)C2C(C1=O)[C@H](O)[C@H](O)[C@H]1C(C)=C(C)CC[C@]21C	ZINC000085851239	291120051	/nfs/dbraw/zinc/12/00/51/291120051.db2.gz	ODDDRGMFJFUGQJ-BZZOXGDRSA-N	0	2	390.476	2.550	1	30	biogenic,in-vitro	GFEFLN
O=C([O-])CCn1c(CCc2ccccc2)[nH+]c2cc(/C=C/C(=O)NO)ccc21	ZINC000038307959	205035268	/nfs/dbraw/zinc/03/52/68/205035268.db2.gz	SCUBZXXAIAWFNU-DHZHZOJOSA-N	0	2	379.416	2.815	1	30		GFEFLN
CC1=NN(c2ccccc2)C(=O)C1C=Nc1ccc(S(=O)(=O)N(C)C)cc1	ZINC000013125977	210051794	/nfs/dbraw/zinc/05/17/94/210051794.db2.gz	ZFHMZFUSQNOGEZ-DEDYPNTBSA-N	0	2	384.461	2.887	1	30		GFEFLN
Cc1ccc(S(=O)(=O)[C@@]2(CC#Cc3ccccc3)SC(=O)NC2=O)cc1	ZINC000001484959	209168523	/nfs/dbraw/zinc/16/85/23/209168523.db2.gz	DFCKOOOZQMQBET-LJQANCHMSA-N	0	2	385.466	2.890	1	30		GFEFLN
O=C(NO)C1(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)CCCC1	ZINC000027077816	581099729	/nfs/dbraw/zinc/09/97/29/581099729.db2.gz	SQQHSADBIVCBBM-UHFFFAOYSA-N	0	2	394.424	2.715	1	30		GFEFLN
CC(C)C(=O)O[C@@H]1c2c3c(c(O)cc2C(=O)[C@]2(C)O[C@H]12)-c1c(cccc1O)C3=O	ZINC000015217225	560229392	/nfs/dbraw/zinc/22/93/92/560229392.db2.gz	UIKYAUSFWRLFDK-UZKOGDIHSA-N	0	2	394.379	2.903	1	30	in-vitro	GFEFLN
Cc1ccc(NC(=O)CC2S/C(=N\C[C@@H]3CCCO3)NC2=O)cc1Cl	ZINC000007156208	525091707	/nfs/dbraw/zinc/09/17/07/525091707.db2.gz	GGAIOKMJCWKIAR-GXTWGEPZSA-N	0	2	381.885	2.744	3	30		GFEFLN
Cc1ccc(NC(=O)C[C@H]2S/C(=N\C[C@@H]3CCCO3)NC2=O)cc1Cl	ZINC000007156208	525091712	/nfs/dbraw/zinc/09/17/12/525091712.db2.gz	GGAIOKMJCWKIAR-GXTWGEPZSA-N	0	2	381.885	2.744	3	30		GFEFLN
CC(C)C(=O)O[C@H]1c2c3c(c(O)cc2C(=O)[C@]2(C)O[C@H]12)-c1c(cccc1O)C3=O	ZINC000015217224	560229387	/nfs/dbraw/zinc/22/93/87/560229387.db2.gz	UIKYAUSFWRLFDK-DWLFOUALSA-N	0	2	394.379	2.903	1	30	in-vitro	GFEFLN
C=CCCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21	ZINC000101035961	206226592	/nfs/dbraw/zinc/22/65/92/206226592.db2.gz	SCAFTPGICAISGW-UHFFFAOYSA-N	0	2	395.440	2.844	1	30		GFEFLN
Cc1cccc(S(=O)(=O)[C@@]2(CC#Cc3ccccc3)SC(=O)NC2=O)c1	ZINC000026024518	206254182	/nfs/dbraw/zinc/25/41/82/206254182.db2.gz	REFMCMJSQNVVPM-LJQANCHMSA-N	0	2	385.466	2.890	1	30		GFEFLN
O=C(O)c1cn(C2CC2)c2c(F)c(N3CCC(=NO)CC3)c(F)cc2c1=O	ZINC000028771232	207347982	/nfs/dbraw/zinc/34/79/82/207347982.db2.gz	ADMDPTMMPYPULK-UHFFFAOYSA-N	0	2	377.347	2.743	1	30		GFEFLN
CCc1ccc(C[C@@H]2S/C(=N/S(=O)(=O)c3ccc(C)cc3)NC2=O)o1	ZINC000028888571	207351812	/nfs/dbraw/zinc/35/18/12/207351812.db2.gz	QOZSUTKBHUGFQE-HNNXBMFYSA-N	0	2	378.475	2.669	1	30		GFEFLN
C=CC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])c2n3[C@@H](C)S2)CC1	ZINC000027526455	209177719	/nfs/dbraw/zinc/17/77/19/209177719.db2.gz	MQEAKMHUQOXBCI-LLVKDONJSA-N	0	2	389.452	2.771	1	30		GFEFLN
Cc1cccc(S(=O)(=O)[C@]2(CC#Cc3ccccc3)SC(=O)NC2=O)c1	ZINC000026024526	212107931	/nfs/dbraw/zinc/10/79/31/212107931.db2.gz	REFMCMJSQNVVPM-IBGZPJMESA-N	0	2	385.466	2.890	1	30		GFEFLN
Cc1ccc(S(=O)(=O)[C@]2(CC#Cc3ccccc3)SC(=O)NC2=O)cc1	ZINC000003822882	212077472	/nfs/dbraw/zinc/07/74/72/212077472.db2.gz	DFCKOOOZQMQBET-IBGZPJMESA-N	0	2	385.466	2.890	1	30		GFEFLN