smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)[N-]C(=O)c1cc(I)c(OCC23CC4CC(CC(C4)C2)C3)cc1F	ZINC000217384734	562877565	/nfs/dbraw/zinc/87/75/65/562877565.db2.gz	ISLFAKDPNJNAHW-UHFFFAOYSA-N	-1	0	507.365	3.715	1	70		KHIFRM
O=C([N-]S(=O)(=O)N1CCC(O)CC1)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F	ZINC000217397892	562877570	/nfs/dbraw/zinc/87/75/70/562877570.db2.gz	MJVZIDKMBPUABA-UHFFFAOYSA-N	-1	0	506.640	3.730	1	70		KHIFRM
O=C(c1ccc([N-]S(=O)(=O)c2cccc3nccnc32)cc1)N1CCC(O)(CCC=C(F)F)CC1	ZINC000217613863	562877624	/nfs/dbraw/zinc/87/76/24/562877624.db2.gz	LFJKWCXNKQVRHP-UHFFFAOYSA-N	-1	0	502.543	3.958	1	70		KHIFRM
CS(=O)(=O)c1ccccc1C1(O)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccc4cccnc43)cc2)CC1	ZINC000217624824	562877686	/nfs/dbraw/zinc/87/76/86/562877686.db2.gz	IQVVGQSCXCXBTM-UHFFFAOYSA-N	-1	0	565.673	3.563	1	70		KHIFRM
O=C(c1ccc([N-]S(=O)(=O)c2cccc3nccnc32)cc1)N1CCC(O)(CCCC(F)F)CC1	ZINC000217626276	562877652	/nfs/dbraw/zinc/87/76/52/562877652.db2.gz	ODTDNEWUDZCODG-UHFFFAOYSA-N	-1	0	504.559	3.833	1	70		KHIFRM
O=C(c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1)N1CCC(O)(Cc2cccnc2)CC1	ZINC000217633197	562877645	/nfs/dbraw/zinc/87/76/45/562877645.db2.gz	SWCGPGRSTYISQV-UHFFFAOYSA-N	-1	0	502.596	3.640	1	70		KHIFRM
Nc1nc2c(cccc2S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(O)(CCC(F)(F)F)CC3)cc2)s1	ZINC000217717303	562877741	/nfs/dbraw/zinc/87/77/41/562877741.db2.gz	KPQILHZERKYMRD-UHFFFAOYSA-N	-1	0	528.578	3.989	1	70		KHIFRM
O=C(c1ccc([N-]S(=O)(=O)c2cccc3scnc32)cc1)N1CCC(O)(c2ccns2)CC1	ZINC000217725181	562877716	/nfs/dbraw/zinc/87/77/16/562877716.db2.gz	XUXIVODQRJIQOC-UHFFFAOYSA-N	-1	0	500.627	3.677	1	70		KHIFRM
CC(F)(F)CCC1(O)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccc4nccnc43)cc2F)CC1	ZINC000217753285	562877714	/nfs/dbraw/zinc/87/77/14/562877714.db2.gz	XNZUUUCNEFEHLI-UHFFFAOYSA-N	-1	0	522.549	3.972	1	70		KHIFRM
O=C(c1ccc([N-]S(=O)(=O)c2cccc3scnc32)cc1)N1CCC(O)(C2CCC(O)CC2)CC1	ZINC000217763009	562877692	/nfs/dbraw/zinc/87/76/92/562877692.db2.gz	WSECNRLJYDLVDA-UHFFFAOYSA-N	-1	0	515.657	3.615	1	70		KHIFRM
Cc1cc(C2(O)CCN(C(=O)c3ccc([N-]S(=O)(=O)c4cccc5scnc54)cc3)CC2)sn1	ZINC000217795841	562877792	/nfs/dbraw/zinc/87/77/92/562877792.db2.gz	OIJWXONMPXQNPH-UHFFFAOYSA-N	-1	0	514.654	3.986	1	70		KHIFRM
Cc1n[nH]c(C)c1CC1(O)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccc4scnc43)cc2)CC1	ZINC000217796032	562877794	/nfs/dbraw/zinc/87/77/94/562877794.db2.gz	KMTKZMAZTXMVIY-UHFFFAOYSA-N	-1	0	525.656	3.647	1	70		KHIFRM
Nc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(O)(CCCC(F)(F)F)CC3)cc2)n1	ZINC000217804141	562877770	/nfs/dbraw/zinc/87/77/70/562877770.db2.gz	WSPMVLLIWFZWEM-UHFFFAOYSA-N	-1	0	537.564	3.713	1	70		KHIFRM
Cc1noc(C)c1CC1(O)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccc4scnc43)cc2)CC1	ZINC000217810011	562877798	/nfs/dbraw/zinc/87/77/98/562877798.db2.gz	HPAAXGIGNJQROP-UHFFFAOYSA-N	-1	0	526.640	3.912	1	70		KHIFRM
O=C([N-]S(=O)(=O)N1CC2(CCO2)C1)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F	ZINC000218249450	562877875	/nfs/dbraw/zinc/87/78/75/562877875.db2.gz	JJEAENNGECGNBP-UHFFFAOYSA-N	-1	0	504.624	3.748	1	70		KHIFRM