smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc([N-]S(=O)(=O)c2ccc(N=Cc3c(C)[nH]n(-c4ccccc4)c3=O)cc2)nc(OC)n1	ZINC000017917365	563014351	/nfs/dbraw/zinc/01/43/51/563014351.db2.gz	KYPPVPPBTLGGCQ-ZVHZXABRSA-N	-1	2	494.533	3.245	1	30		JGEFLM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C/C(=N\O)c4ccc(F)cc4)CC3)c(F)c21	ZINC000026402543	563027638	/nfs/dbraw/zinc/02/76/38/563027638.db2.gz	HHWPYSHRMQFQFC-TURZUDJPSA-N	-1	2	488.466	3.137	1	30		JGEFLM
N#Cc1c(N)nc(-c2cc(Cl)ccc2O)cc1-c1cccc(NC(=O)[C@H](O)CCC(=O)[O-])c1	ZINC000013488186	562968184	/nfs/dbraw/zinc/96/81/84/562968184.db2.gz	FUAMFAUGWIALLA-HXUWFJFHSA-N	-1	2	466.881	3.393	1	30		JGEFLM
N#Cc1ccc(O)c(-c2cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c3nc4cc(C(N)=[NH2+])ccc4[nH]3)c2O)c1	ZINC000014956782	563007662	/nfs/dbraw/zinc/00/76/62/563007662.db2.gz	MGVLXIYJTNHUAZ-CQSZACIVSA-N	-1	2	485.456	3.107	1	30		JGEFLM
N#Cc1ccc(O)c(-c2cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c3nc4ccc(C(N)=[NH2+])cc4[nH]3)c2O)c1	ZINC000014956782	563007663	/nfs/dbraw/zinc/00/76/63/563007663.db2.gz	MGVLXIYJTNHUAZ-CQSZACIVSA-N	-1	2	485.456	3.107	1	30		JGEFLM
CC[C@H](c1cccc([N-]S(=O)(=O)c2ccc(C#N)cn2)c1)c1c(O)c2c(oc1=O)CCC2	ZINC000013759636	562989305	/nfs/dbraw/zinc/98/93/05/562989305.db2.gz	GDEOHSJOOBUKGL-QGZVFWFLSA-N	-1	2	451.504	3.443	1	30		JGEFLM
O=C([O-])c1ccccc1C(=O)NCCOC(=S)Nc1ccc(I)cc1	ZINC000013644804	562980590	/nfs/dbraw/zinc/98/05/90/562980590.db2.gz	WFKJIKUXIOTYAM-UHFFFAOYSA-N	-1	2	470.288	3.353	1	30		JGEFLM
N#Cc1ccc(O)c(-c2cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c3nc4cc(C(N)=[NH2+])ccc4[nH]3)c2O)c1	ZINC000014956787	563007626	/nfs/dbraw/zinc/00/76/26/563007626.db2.gz	MGVLXIYJTNHUAZ-AWEZNQCLSA-N	-1	2	485.456	3.107	1	30		JGEFLM
N#Cc1ccc(O)c(-c2cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c3nc4ccc(C(N)=[NH2+])cc4[nH]3)c2O)c1	ZINC000014956787	563007627	/nfs/dbraw/zinc/00/76/27/563007627.db2.gz	MGVLXIYJTNHUAZ-AWEZNQCLSA-N	-1	2	485.456	3.107	1	30		JGEFLM
N#Cc1c(N)nc(-c2cc(Cl)ccc2O)cc1-c1cccc(NC(=O)[C@@H](O)CCC(=O)[O-])c1	ZINC000013488185	562968160	/nfs/dbraw/zinc/96/81/60/562968160.db2.gz	FUAMFAUGWIALLA-FQEVSTJZSA-N	-1	2	466.881	3.393	1	30		JGEFLM
C#CCN(Cc1ccc2[nH+]c(C)cc(OC)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000013726050	562984816	/nfs/dbraw/zinc/98/48/16/562984816.db2.gz	MSCWBOSYPSZDME-QHCPKHFHSA-N	-1	2	489.528	3.239	1	30		JGEFLM
CC[C@@H](c1cccc([N-]S(=O)(=O)c2ccc(C#N)cn2)c1)c1c(O)c2c(oc1=O)CCC2	ZINC000013759634	562989330	/nfs/dbraw/zinc/98/93/30/562989330.db2.gz	GDEOHSJOOBUKGL-KRWDZBQOSA-N	-1	2	451.504	3.443	1	30		JGEFLM