smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cc(C(C)C)n[nH]1	ZINC000160641844	402355145	/nfs/dbraw/zinc/35/51/45/402355145.db2.gz	VQAVOIGRYAWDIJ-UHFFFAOYSA-N	-1	1	317.802	2.029	10	70		DEIEMM
O=S(=O)([N-]c1cc(O)cc(F)c1)c1ccc2c(c1)CCO2	ZINC000161288436	402380843	/nfs/dbraw/zinc/38/08/43/402380843.db2.gz	PGYADWSUHAGISZ-UHFFFAOYSA-N	-1	1	309.318	2.267	10	70		DEIEMM
CCSCC[C@@H](C)[N-]S(=O)(=O)c1cc(N)cc(F)c1F	ZINC000159866905	197370298	/nfs/dbraw/zinc/37/02/98/197370298.db2.gz	VCHVBCYKBUODRP-MRVPVSSYSA-N	-1	1	324.418	2.357	10	70		DEIEMM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)cc1	ZINC000161294468	402381248	/nfs/dbraw/zinc/38/12/48/402381248.db2.gz	AJYBSHVXTMTQSQ-UHFFFAOYSA-N	-1	1	324.333	2.291	10	70		DEIEMM
CCSCC[C@H](C)[N-]S(=O)(=O)c1cc(N)cc(F)c1F	ZINC000159867036	197370343	/nfs/dbraw/zinc/37/03/43/197370343.db2.gz	VCHVBCYKBUODRP-QMMMGPOBSA-N	-1	1	324.418	2.357	10	70		DEIEMM
CCSCC[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(N)cc1F	ZINC000159871354	197370451	/nfs/dbraw/zinc/37/04/51/197370451.db2.gz	NQRPGYKEXNZCQA-MRVPVSSYSA-N	-1	1	324.418	2.357	10	70		DEIEMM
Cc1ccn2c(c1)nnc2[N-]S(=O)(=O)Cc1cccc(F)c1	ZINC000161019474	402369573	/nfs/dbraw/zinc/36/95/73/402369573.db2.gz	NIVAAJWDBSJPPB-UHFFFAOYSA-N	-1	1	320.349	2.119	10	70		DEIEMM
Cc1cnn(CCNC(=O)c2ccc(Br)c([O-])c2)c1	ZINC000161149053	402375219	/nfs/dbraw/zinc/37/52/19/402375219.db2.gz	PYCGTDOUFSWCQU-UHFFFAOYSA-N	-1	1	324.178	2.090	10	70		DEIEMM
O=S(=O)(CCc1ccncc1)[N-]c1ccc(Cl)cc1O	ZINC000160401684	197407793	/nfs/dbraw/zinc/40/77/93/197407793.db2.gz	CDTYAOJGVCPHMR-UHFFFAOYSA-N	-1	1	312.778	2.425	10	70		DEIEMM
Cc1ccc2c(n1)[n-]cc(C(=O)NCCc1cccc(O)c1)c2=O	ZINC000160181485	197391109	/nfs/dbraw/zinc/39/11/09/197391109.db2.gz	ZAYKHWLQKCZRIU-UHFFFAOYSA-N	-1	1	323.352	2.322	10	70		DEIEMM
Cc1ccc2c([O-])c(C(=O)NCCc3cccc(O)c3)cnc2n1	ZINC000160181485	197391110	/nfs/dbraw/zinc/39/11/10/197391110.db2.gz	ZAYKHWLQKCZRIU-UHFFFAOYSA-N	-1	1	323.352	2.322	10	70		DEIEMM
CCSCC[C@H](C)[N-]S(=O)(=O)c1c(F)cc(N)cc1F	ZINC000159871502	197370432	/nfs/dbraw/zinc/37/04/32/197370432.db2.gz	NQRPGYKEXNZCQA-QMMMGPOBSA-N	-1	1	324.418	2.357	10	70		DEIEMM
COc1cc([N-]S(=O)(=O)c2ccc(F)c(N)c2)ccc1F	ZINC000159802257	197365707	/nfs/dbraw/zinc/36/57/07/197365707.db2.gz	UVOIZNPWCBLYRY-UHFFFAOYSA-N	-1	1	314.313	2.356	10	70		DEIEMM
CCc1noc(C)c1[N-]C(=O)c1cc(S(C)(=O)=O)cs1	ZINC000161328961	402382808	/nfs/dbraw/zinc/38/28/08/402382808.db2.gz	NBAGUZUKDWHRDY-UHFFFAOYSA-N	-1	1	314.388	2.263	10	70		DEIEMM
COc1cc([N-]S(=O)(=O)c2cccc(F)c2N)ccc1F	ZINC000159791233	197364443	/nfs/dbraw/zinc/36/44/43/197364443.db2.gz	ILABZPPZBQWQMS-UHFFFAOYSA-N	-1	1	314.313	2.356	10	70		DEIEMM
COc1ccc2nc(SCc3n[n-]c(=NN)s3)[nH]c2c1	ZINC000159712244	186136806	/nfs/dbraw/zinc/13/68/06/186136806.db2.gz	KBYTWPJYTZHHDJ-UHFFFAOYSA-N	-1	1	308.392	2.001	10	70		DEIEMM
CCOc1ccc2nc(SCc3n[n-]c(=NN)s3)[nH]c2c1	ZINC000159711078	197362005	/nfs/dbraw/zinc/36/20/05/197362005.db2.gz	IZLYYEVEVLAOIZ-UHFFFAOYSA-N	-1	1	322.419	2.391	10	70		DEIEMM
Cc1cccc(CCNC(=O)c2nc3ccccc3c(=O)[n-]2)c1	ZINC000160017970	197380106	/nfs/dbraw/zinc/38/01/06/197380106.db2.gz	SRFYZOBJLWAHME-UHFFFAOYSA-N	-1	1	307.353	2.204	10	70		DEIEMM
CSc1nc(C)c(CCC(=O)NCCC2=CCCC2)c(=O)[n-]1	ZINC000160224572	526212232	/nfs/dbraw/zinc/21/22/32/526212232.db2.gz	ZRJXPRLCYKOJEG-UHFFFAOYSA-N	-1	1	321.446	2.349	10	70		DEIEMM
COc1cc([N-]S(=O)(=O)c2cc(N)cc(F)c2)ccc1F	ZINC000159804816	197365339	/nfs/dbraw/zinc/36/53/39/197365339.db2.gz	XZKYARHFTDIQLZ-UHFFFAOYSA-N	-1	1	314.313	2.356	10	70		DEIEMM