smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)Sc1ccccc1O2	ZINC000005582820	204141013	/nfs/dbraw/zinc/14/10/13/204141013.db2.gz	HLWZPJOXFABBFJ-UHFFFAOYSA-N	-2	1	399.449	4.443	40	0		GIABML
C[C@@H](Nc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1)c1ccccc1	ZINC000217504680	570317407	/nfs/dbraw/zinc/31/74/07/570317407.db2.gz	RFADOVURKGVIPS-OAHLLOKOSA-N	-2	1	396.468	4.359	40	0		GIABML
O=C([O-])c1ccc(-c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2Cl)o1	ZINC000226352935	231037156	/nfs/dbraw/zinc/03/71/56/231037156.db2.gz	VBZSLUAHPVKRFY-UHFFFAOYSA-N	-2	1	395.795	4.238	40	0		GIABML
Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-c2ccc(C(=O)[O-])o2)cc1	ZINC000226353590	534213154	/nfs/dbraw/zinc/21/31/54/534213154.db2.gz	IQQAWXLYTGKEOU-UHFFFAOYSA-N	-2	1	391.832	4.407	40	0		GIABML
O=C([O-])c1ccc(-c2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccc2Cl)o1	ZINC000226353343	231037021	/nfs/dbraw/zinc/03/70/21/231037021.db2.gz	MQSGWJLEZIGJFA-UHFFFAOYSA-N	-2	1	395.795	4.238	40	0		GIABML
Cc1c([N-]S(=O)(=O)c2ccc(Cl)cc2)cccc1-c1ccc(C(=O)[O-])o1	ZINC000226353255	231037189	/nfs/dbraw/zinc/03/71/89/231037189.db2.gz	SESHMGCOQGNDGM-UHFFFAOYSA-N	-2	1	391.832	4.407	40	0		GIABML
O=C1[N-]C(=S)SC1=Cc1cc(Br)c([O-])c(Br)c1	ZINC000026593485	570380604	/nfs/dbraw/zinc/38/06/04/570380604.db2.gz	NFDKYEDDYDKYIA-CLTKARDFSA-N	-2	1	395.097	4.246	40	0		GIABML
O=C([O-])COc1cccc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)c1	ZINC000408998776	231144829	/nfs/dbraw/zinc/14/48/29/231144829.db2.gz	OISYPGWNCVPCNU-UHFFFAOYSA-N	-2	1	384.457	4.186	40	0		GIABML
Cc1ccc(-c2ccc(C(=O)[O-])o2)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000226353188	534186121	/nfs/dbraw/zinc/18/61/21/534186121.db2.gz	FAEOAGZCSBAZIZ-UHFFFAOYSA-N	-2	1	391.832	4.407	40	0		GIABML
C[C@H](Nc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1)c1ccccc1	ZINC000217504755	570317357	/nfs/dbraw/zinc/31/73/57/570317357.db2.gz	RFADOVURKGVIPS-HNNXBMFYSA-N	-2	1	396.468	4.359	40	0		GIABML
Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(C(=O)[O-])o3)c(Cl)c2)cc1	ZINC000226352920	534212383	/nfs/dbraw/zinc/21/23/83/534212383.db2.gz	UQLAMCIXWRDIMK-UHFFFAOYSA-N	-2	1	391.832	4.407	40	0		GIABML
Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1-c1ccc(C(=O)[O-])o1	ZINC000226353305	231036935	/nfs/dbraw/zinc/03/69/35/231036935.db2.gz	SCVLBWUACYHEOX-UHFFFAOYSA-N	-2	1	391.832	4.407	40	0		GIABML
O=C([O-])COc1ccc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)cc1	ZINC000408988709	231143042	/nfs/dbraw/zinc/14/30/42/231143042.db2.gz	IZAFFUVVPGCDNB-UHFFFAOYSA-N	-2	1	384.457	4.186	40	0		GIABML