smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[C@H](NS(=O)(=O)c1ccc(CCc2ccccc2)cc1)P(=O)([O-])[O-]	ZINC000028640034	570462142	/nfs/dbraw/zinc/46/21/42/570462142.db2.gz	FHZGYMLWCVBBPM-GOSISDBHSA-N	-2	3	397.433	2.910	40	0		GFABHL
O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1	ZINC000032585659	570643410	/nfs/dbraw/zinc/64/34/10/570643410.db2.gz	NLVJQHFTDGXJJA-UHFFFAOYSA-N	-2	3	375.324	2.970	40	0		GFABHL
CCOc1ccc(NC(=O)CSc2nc([O-])c(CC(C)C)c(=O)[n-]2)cc1	ZINC000013453817	570847694	/nfs/dbraw/zinc/84/76/94/570847694.db2.gz	ONTOGTXVJIYJIN-UHFFFAOYSA-N	-2	3	377.466	2.804	40	0		GFABHL
CC[Si](C)(C)Cc1c([O-])nc(SCC(=O)Nc2ccccc2)[n-]c1=O	ZINC000253561798	553151694	/nfs/dbraw/zinc/15/16/94/553151694.db2.gz	CNFQSNILMDMBLE-UHFFFAOYSA-N	-2	3	377.542	2.715	40	0		GFABHL
CCc1nc(SC(=Cc2ccc(I)o2)C(=O)[O-])n[n-]1	ZINC000213407024	553052836	/nfs/dbraw/zinc/05/28/36/553052836.db2.gz	QOGIEPSSRDKWAT-ALCCZGGFSA-N	-2	3	391.190	2.783	40	0		GFABHL
O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1ccccc1	ZINC000022510140	207254706	/nfs/dbraw/zinc/25/47/06/207254706.db2.gz	KYOILZZNFWMKDV-UHFFFAOYSA-N	-2	3	389.458	2.683	40	0		GFABHL
CCc1cc(O)cc([O-])c1C(=O)c1c([O-])cccc1Cc1cc(=O)cc([O-])o1	ZINC000003850723	570726291	/nfs/dbraw/zinc/72/62/91/570726291.db2.gz	GHSGLMBXEQBYKS-UHFFFAOYSA-N	-3	3	382.368	2.846	40	0		GFABHL
CCc1cc(O)cc([O-])c1C(=O)c1c([O-])cccc1Cc1cc([O-])cc(=O)o1	ZINC000003850723	570726295	/nfs/dbraw/zinc/72/62/95/570726295.db2.gz	GHSGLMBXEQBYKS-UHFFFAOYSA-N	-3	3	382.368	2.846	40	0		GFABHL
O=C([O-])Cn1cc(C=C(Cl)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)nn1	ZINC000685936799	570381334	/nfs/dbraw/zinc/38/13/34/570381334.db2.gz	SYVVACJNLHTONF-YHYXMXQVSA-N	-2	3	391.840	2.689	40	0		GFABHL
Cc1cc([O-])c(C(c2ccc(N(C)C)cc2)c2c([O-])cc(C)oc2=O)c(=O)o1	ZINC000006714365	570323738	/nfs/dbraw/zinc/32/37/38/570323738.db2.gz	ZKDMGCJWQWOCMK-UHFFFAOYSA-N	-2	3	383.400	2.867	40	0		GFABHL
O=C([O-])COc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1	ZINC000034079876	212111731	/nfs/dbraw/zinc/11/17/31/212111731.db2.gz	NZWPJTQJNJIULS-UHFFFAOYSA-N	-2	3	386.223	2.713	40	0		GFABHL
O=S(=O)([O-])c1cccc(Nc2ccc3cc(S(=O)(=O)[O-])cc([O-])c3c2)c1	ZINC000005161796	204116917	/nfs/dbraw/zinc/11/69/17/204116917.db2.gz	LSDXXYNYKPLONE-UHFFFAOYSA-N	-3	3	395.414	2.782	40	0		GFABHL
COc1ccc(NC(=O)CSc2nc([O-])c(CCC(C)C)c(=O)[n-]2)cc1	ZINC000008964386	570684280	/nfs/dbraw/zinc/68/42/80/570684280.db2.gz	UIBMBOVROOWUSF-UHFFFAOYSA-N	-2	3	377.466	2.804	40	0		GFABHL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NC[C@H]1CCCO1	ZINC000217638767	570319713	/nfs/dbraw/zinc/31/97/13/570319713.db2.gz	MWKDVJCHNKCXJL-CQSZACIVSA-N	-2	3	376.434	2.777	40	0		GFABHL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NC[C@@H]1CCCO1	ZINC000217638666	570319473	/nfs/dbraw/zinc/31/94/73/570319473.db2.gz	MWKDVJCHNKCXJL-AWEZNQCLSA-N	-2	3	376.434	2.777	40	0		GFABHL
Cc1c([O-])ccc2c(C)c(CC(=O)NC[C@H]3CC[C@@H](C(=O)[O-])CC3)c(=O)oc12	ZINC000217443330	570316274	/nfs/dbraw/zinc/31/62/74/570316274.db2.gz	PZFDIYSDWSIGAU-HDJSIYSDSA-N	-2	3	387.432	2.665	40	0		GFABHL
O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc([O-])c(Br)c1	ZINC000008477195	570551772	/nfs/dbraw/zinc/55/17/72/570551772.db2.gz	OWDSXSDQTIGNFX-YRNVUSSQSA-N	-2	3	379.210	2.559	40	0		GFABHL
CC(C)[C@@H](NS(=O)(=O)c1ccc(CCc2ccccc2)cc1)P(=O)([O-])[O-]	ZINC000096125836	570210314	/nfs/dbraw/zinc/21/03/14/570210314.db2.gz	FHZGYMLWCVBBPM-SFHVURJKSA-N	-2	3	397.433	2.910	40	0		GFABHL