smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C)cn2)nc(-c2ccnc(-c3nn[n-]n3)c2)nc1OCCO	ZINC000003939238	561688977	/nfs/dbraw/zinc/68/89/77/561688977.db2.gz	LFWCJABOXHSRGC-UHFFFAOYSA-N	-2	1	577.583	2.395	40	0	investigational	KEABML
COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C)cn2)nc(-c2ccnc(-c3nnn[n-]3)c2)nc1OCCO	ZINC000003939238	561688976	/nfs/dbraw/zinc/68/89/76/561688976.db2.gz	LFWCJABOXHSRGC-UHFFFAOYSA-N	-2	1	577.583	2.395	40	0	investigational	KEABML
COc1cc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)nc(OC)n1	ZINC000006073839	552521695	/nfs/dbraw/zinc/52/16/95/552521695.db2.gz	PAINLVBTAPWIET-UHFFFAOYSA-N	-2	1	507.550	2.054	40	0		KEABML
CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)ccc1OC	ZINC000020042806	553669225	/nfs/dbraw/zinc/66/92/25/553669225.db2.gz	IYPUQHRBWWDCFO-UHFFFAOYSA-N	-2	1	505.578	2.145	40	0		KEABML
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1C(=O)NC(C)C	ZINC000020461572	553656085	/nfs/dbraw/zinc/65/60/85/553656085.db2.gz	UBWCOEVNOUENKF-UHFFFAOYSA-N	-2	1	505.578	2.225	40	0		KEABML
Cc1nnc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)cc2)s1	ZINC000027986972	553836795	/nfs/dbraw/zinc/83/67/95/553836795.db2.gz	ASTLDTYFJKNNDP-UHFFFAOYSA-N	-2	1	507.575	2.102	40	0		KEABML
CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)ccc1OC	ZINC000030852653	553857965	/nfs/dbraw/zinc/85/79/65/553857965.db2.gz	HEGOVSSDMKRMHY-UHFFFAOYSA-N	-2	1	505.578	2.063	40	0		KEABML
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1C(=O)N1CCCC1	ZINC000038756895	554276947	/nfs/dbraw/zinc/27/69/47/554276947.db2.gz	UAUPXUVHZWBSDS-UHFFFAOYSA-N	-2	1	517.589	2.323	40	0		KEABML
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1C(=O)NC(C)C	ZINC000044850001	554305274	/nfs/dbraw/zinc/30/52/74/554305274.db2.gz	OBUAFWJVJYXNQF-UHFFFAOYSA-N	-2	1	504.590	2.830	40	0		KEABML
CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)ccc1OC	ZINC000044883569	554307656	/nfs/dbraw/zinc/30/76/56/554307656.db2.gz	QYGTWYKMMVJRGW-UHFFFAOYSA-N	-2	1	519.605	2.453	40	0		KEABML
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1N1CCCC1=O	ZINC000044884623	554307905	/nfs/dbraw/zinc/30/79/05/554307905.db2.gz	WDSOGBKVMGWAIF-UHFFFAOYSA-N	-2	1	503.562	2.214	40	0		KEABML
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1N1CCCC1=O	ZINC000044904979	554309815	/nfs/dbraw/zinc/30/98/15/554309815.db2.gz	ABMWJMGUKNMXRK-UHFFFAOYSA-N	-2	1	502.574	2.819	40	0		KEABML
C[C@H]1O[C@H](c2ccc3c(c2[O-])C(=O)c2ccc(C[C@@](C)(O)CC(=O)[O-])c(O)c2C3=O)C[C@H]2O[C@H]3CC(=O)[C@H](C)O[C@H]3O[C@H]12	ZINC000067910709	554536263	/nfs/dbraw/zinc/53/62/63/554536263.db2.gz	LOVVVDDAKZKPHZ-OJHYTDOQSA-N	-2	1	596.585	2.348	40	0	biogenic,in-vitro	KEABML
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)cc1C(=O)N1CCOCC1	ZINC000215917301	571587533	/nfs/dbraw/zinc/58/75/33/571587533.db2.gz	HNPUPFVSAGYPGP-UHFFFAOYSA-N	-2	1	561.642	2.176	40	0		KEABML
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1C(=O)N1CCOCC1	ZINC000408693068	1066387685	/nfs/dbraw/zinc/38/76/85/1066387685.db2.gz	FHQMMFIPLNMDCF-UHFFFAOYSA-N	-2	1	538.629	2.226	40	0		KEABML