smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)N1CCN(c2ccc(NS(=O)(=O)c3cccs3)cc2C(=O)[O-])CC1	ZINC000032961608	556572862	/nfs/dbraw/zinc/57/28/62/556572862.db2.gz	RDNTYZLEBXPDCH-UHFFFAOYSA-N	-1	2	439.515	2.526	50	0		IFAALM
COc1ccc(OC)c(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCC(C)CC2)c1	ZINC000064843703	568971619	/nfs/dbraw/zinc/97/16/19/568971619.db2.gz	XFSMVGHDRUESGK-UHFFFAOYSA-N	-1	2	435.502	2.834	50	0		IFAALM
COc1ccc(OC)c(S(=O)(=O)Nc2cnc(N3CCCCCC3)c(C(=O)[O-])c2)c1	ZINC000035397424	524880734	/nfs/dbraw/zinc/88/07/34/524880734.db2.gz	KKQNHKWWZYWUTF-UHFFFAOYSA-N	-1	2	435.502	2.978	50	0		IFAALM
Cc1ccc(-c2csc(NC(=O)CSc3nnc(CCC(=O)[O-])c(=O)[nH]3)n2)cc1	ZINC000022799470	525781831	/nfs/dbraw/zinc/78/18/31/525781831.db2.gz	JHTDNPJDCVDNNI-UHFFFAOYSA-N	-1	2	431.499	2.757	50	0		IFAALM
O=S(=O)([N-]c1ccccn1)c1ccc(NS(=O)(=O)c2cccc(F)c2F)cc1	ZINC000095466326	569370931	/nfs/dbraw/zinc/37/09/31/569370931.db2.gz	SWJUBMRKRCLVJV-UHFFFAOYSA-N	-1	2	425.438	2.961	50	0		IFAALM
CCCN(Cc1nc(=O)c2sccc2[nH]1)S(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC000014190348	556387617	/nfs/dbraw/zinc/38/76/17/556387617.db2.gz	GWJUHJUVKHDRKE-UHFFFAOYSA-N	-1	2	435.527	2.603	50	0		IFAALM
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])cc2)nc(C)n1	ZINC000006156121	568848260	/nfs/dbraw/zinc/84/82/60/568848260.db2.gz	SILUVYOYOLFCJQ-IAGOWNOFSA-N	-1	2	432.502	2.724	50	0		IFAALM
Cc1c2cc(Cl)c(O)cc2oc(=O)c1CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000002120497	569183442	/nfs/dbraw/zinc/18/34/42/569183442.db2.gz	MGNPLPPZHVAOMF-INIZCTEOSA-N	-1	2	431.828	2.521	50	0		IFAALM
Cc1cc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3cc(F)ccc3F)cc2)no1	ZINC000017096413	556660222	/nfs/dbraw/zinc/66/02/22/556660222.db2.gz	YGXFLYCCYWXNQL-UHFFFAOYSA-N	-1	2	429.426	2.863	50	0		IFAALM
COc1ccc(OC)c(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCC[C@H](C)C2)c1	ZINC000064843821	568971693	/nfs/dbraw/zinc/97/16/93/568971693.db2.gz	LSSOHJFBVDVKHN-ZDUSSCGKSA-N	-1	2	435.502	2.834	50	0		IFAALM
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1	ZINC000036610972	569123545	/nfs/dbraw/zinc/12/35/45/569123545.db2.gz	PCUGRWYXNUQSFH-KBPBESRZSA-N	-1	2	436.877	2.536	50	0		IFAALM
COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)Nc2ccccc2Cn2cccn2)c1OC	ZINC000040088148	521935619	/nfs/dbraw/zinc/93/56/19/521935619.db2.gz	AUURFTDIELGQDU-CMDGGOBGSA-N	-1	2	443.481	2.847	50	0		IFAALM
Cc1ccc(S(=O)(=O)Nc2nc(NC(=O)CCCC(=O)[O-])n(-c3ccccc3)n2)cc1	ZINC000096562354	569401160	/nfs/dbraw/zinc/40/11/60/569401160.db2.gz	LHDWAYMNICPTLU-UHFFFAOYSA-N	-1	2	443.485	2.570	50	0		IFAALM
O=C([O-])CCc1nnc(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)[nH]c1=O	ZINC000003407720	562935240	/nfs/dbraw/zinc/93/52/40/562935240.db2.gz	AJXQPOILPDPACI-UHFFFAOYSA-N	-1	2	436.799	2.585	50	0		IFAALM
COc1ccc(OC)c(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCCCCC2)c1	ZINC000064843783	568971803	/nfs/dbraw/zinc/97/18/03/568971803.db2.gz	UGYJYGSHMRJINE-UHFFFAOYSA-N	-1	2	435.502	2.978	50	0		IFAALM
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000008725686	569472199	/nfs/dbraw/zinc/47/21/99/569472199.db2.gz	FZXDENIFJAWZER-UHFFFAOYSA-N	-1	2	444.556	2.730	50	0		IFAALM
COC(=O)C[C@H](c1ccc(C(=O)[O-])cc1)c1c(O)nc2ccc(C(F)(F)F)cn2c1=O	ZINC000206052035	556637572	/nfs/dbraw/zinc/63/75/72/556637572.db2.gz	PSXSRTNUDKXPCH-CYBMUJFWSA-N	-1	2	436.342	2.812	50	0		IFAALM
O=C([O-])Cn1cc([C@H](C(=O)[O-])N2CC[NH+](Cc3ccccc3)CC2)c2ccc(F)cc21	ZINC000036367074	569087145	/nfs/dbraw/zinc/08/71/45/569087145.db2.gz	ODEPLGWWNMKLLW-JOCHJYFZSA-N	-1	2	425.460	2.809	50	0		IFAALM
O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1	ZINC000036610974	569123506	/nfs/dbraw/zinc/12/35/06/569123506.db2.gz	PCUGRWYXNUQSFH-UONOGXRCSA-N	-1	2	436.877	2.536	50	0		IFAALM
O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1	ZINC000036610973	569123533	/nfs/dbraw/zinc/12/35/33/569123533.db2.gz	PCUGRWYXNUQSFH-ZIAGYGMSSA-N	-1	2	436.877	2.536	50	0		IFAALM
COc1ccc(OC)c(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCC[C@@H](C)C2)c1	ZINC000064843818	568971857	/nfs/dbraw/zinc/97/18/57/568971857.db2.gz	LSSOHJFBVDVKHN-CYBMUJFWSA-N	-1	2	435.502	2.834	50	0		IFAALM
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1	ZINC000036610971	569123454	/nfs/dbraw/zinc/12/34/54/569123454.db2.gz	PCUGRWYXNUQSFH-KGLIPLIRSA-N	-1	2	436.877	2.536	50	0		IFAALM
O=C([O-])CCc1nnc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)[nH]c1=O	ZINC000012347398	527603320	/nfs/dbraw/zinc/60/33/20/527603320.db2.gz	BNSCLMOMFLNOOP-UHFFFAOYSA-N	-1	2	426.454	2.705	50	0		IFAALM
CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)s1	ZINC000003991772	569457489	/nfs/dbraw/zinc/45/74/89/569457489.db2.gz	CVHPCKIWGNBWII-UHFFFAOYSA-N	-1	2	432.483	2.852	50	0		IFAALM
COC(=O)C[C@@H](c1ccc(C(=O)[O-])cc1)c1c(O)nc2ccc(C(F)(F)F)cn2c1=O	ZINC000096232264	569387724	/nfs/dbraw/zinc/38/77/24/569387724.db2.gz	BAXLEZFKZWUGKU-ZDUSSCGKSA-N	-1	2	436.342	2.812	50	0		IFAALM
COC(=O)C[C@@H](c1ccc(C(=O)[O-])cc1)c1c(O)nc2ccc(C(F)(F)F)cn2c1=O	ZINC000206052018	556637249	/nfs/dbraw/zinc/63/72/49/556637249.db2.gz	PSXSRTNUDKXPCH-ZDUSSCGKSA-N	-1	2	436.342	2.812	50	0		IFAALM
COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(Br)cc4)C(O)=C23)cc1OC	ZINC000100891476	557198636	/nfs/dbraw/zinc/19/86/36/557198636.db2.gz	WUHNNCKVFZKEDR-WBVHZDCISA-N	-1	2	431.242	2.759	50	0		IFAALM
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])cc2)nc(C)n1	ZINC000006156119	568848239	/nfs/dbraw/zinc/84/82/39/568848239.db2.gz	SILUVYOYOLFCJQ-SJORKVTESA-N	-1	2	432.502	2.724	50	0		IFAALM
COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)Nc2ccccc2N2CCCC2=O)c1OC	ZINC000021633083	521935334	/nfs/dbraw/zinc/93/53/34/521935334.db2.gz	KBYYMVTVMOVUHD-MDZDMXLPSA-N	-1	2	446.481	2.729	50	0		IFAALM
O=C([O-])c1cc(NS(=O)(=O)c2ccc(Br)s2)ccc1N1CCOCC1	ZINC000032962215	556580688	/nfs/dbraw/zinc/58/06/88/556580688.db2.gz	BKSWGJQTSQTSED-UHFFFAOYSA-N	-1	2	447.332	2.846	50	0		IFAALM
Cc1ccc(O)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c1	ZINC000040152681	569493469	/nfs/dbraw/zinc/49/34/69/569493469.db2.gz	CLEXJQNDKARAAC-UHFFFAOYSA-N	-1	2	448.526	2.709	50	0		IFAALM
O=C([O-])CCc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)[nH]c1=O	ZINC000012347408	527602964	/nfs/dbraw/zinc/60/29/64/527602964.db2.gz	PSSSMJPZUZREGQ-UHFFFAOYSA-N	-1	2	436.799	2.585	50	0		IFAALM
CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cc3ccccc3cc2C(=O)[O-])c(F)c1	ZINC000058173793	556768931	/nfs/dbraw/zinc/76/89/31/556768931.db2.gz	QSDDHGNDWMCIIY-UHFFFAOYSA-N	-1	2	438.458	2.849	50	0		IFAALM
CCOC(=O)N1CCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2cccs2)CC1	ZINC000085593029	557167934	/nfs/dbraw/zinc/16/79/34/557167934.db2.gz	BBGQSYGLOXXANW-UHFFFAOYSA-N	-1	2	439.515	2.526	50	0		IFAALM
O=S(=O)([N-]c1ccccn1)c1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1	ZINC000095469820	569371710	/nfs/dbraw/zinc/37/17/10/569371710.db2.gz	XUJVKTMXNPPUAY-UHFFFAOYSA-N	-1	2	425.438	2.961	50	0		IFAALM
COc1ccc(OC)c(S(=O)(=O)Nc2cnc(N3CCC(C)CC3)c(C(=O)[O-])c2)c1	ZINC000035397330	524882566	/nfs/dbraw/zinc/88/25/66/524882566.db2.gz	YQOYEQNSKYTXDR-UHFFFAOYSA-N	-1	2	435.502	2.834	50	0		IFAALM
CSCC[C@H](NC(=O)COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1)C(=O)[O-]	ZINC000012296921	525588041	/nfs/dbraw/zinc/58/80/41/525588041.db2.gz	KAASLVRNIIZCIU-HNNXBMFYSA-N	-1	2	443.477	2.867	50	0		IFAALM
Cc1c2cc(Cl)c(O)cc2oc(=O)c1CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000011865584	556665272	/nfs/dbraw/zinc/66/52/72/556665272.db2.gz	MGNPLPPZHVAOMF-MRXNPFEDSA-N	-1	2	431.828	2.521	50	0		IFAALM
COC(=O)C[C@H](c1ccc(C(=O)[O-])cc1)c1c(O)nc2ccc(C(F)(F)F)cn2c1=O	ZINC000096232265	569387698	/nfs/dbraw/zinc/38/76/98/569387698.db2.gz	BAXLEZFKZWUGKU-CYBMUJFWSA-N	-1	2	436.342	2.812	50	0		IFAALM
O=C(NCc1ccccc1)c1ccc2c(c1)[nH]c([O-])c(S(=O)(=O)c1ccccc1)c2=O	ZINC000020529999	526739243	/nfs/dbraw/zinc/73/92/43/526739243.db2.gz	TYBMXCRCNQAABV-UHFFFAOYSA-N	-1	2	434.473	2.997	50	0		IFAALM
CSCC[C@@H](NC(=O)COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1)C(=O)[O-]	ZINC000020426557	557015485	/nfs/dbraw/zinc/01/54/85/557015485.db2.gz	KAASLVRNIIZCIU-OAHLLOKOSA-N	-1	2	443.477	2.867	50	0		IFAALM
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])cc2)nc(C)n1	ZINC000006156120	568848198	/nfs/dbraw/zinc/84/81/98/568848198.db2.gz	SILUVYOYOLFCJQ-IRXDYDNUSA-N	-1	2	432.502	2.724	50	0		IFAALM
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])cc2)nc(C)n1	ZINC000006156122	568848264	/nfs/dbraw/zinc/84/82/64/568848264.db2.gz	SILUVYOYOLFCJQ-DLBZAZTESA-N	-1	2	432.502	2.724	50	0		IFAALM
O=C([O-])Cn1cc([C@@H](C(=O)[O-])N2CC[NH+](Cc3ccccc3)CC2)c2ccc(F)cc21	ZINC000036367072	569087161	/nfs/dbraw/zinc/08/71/61/569087161.db2.gz	ODEPLGWWNMKLLW-QFIPXVFZSA-N	-1	2	425.460	2.809	50	0		IFAALM
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])cc2)no1	ZINC000009187802	569510455	/nfs/dbraw/zinc/51/04/55/569510455.db2.gz	VBMZQDLNEPWZPB-KRWDZBQOSA-N	-1	2	444.469	2.601	50	0		IFAALM