smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1	ZINC000078938724	185131744	/nfs/dbraw/zinc/13/17/44/185131744.db2.gz	ZDWNVPGXAOEWEY-UHFFFAOYSA-N	-2	1	323.345	2.562	40	0		DFABML
O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1	ZINC000021985494	182301623	/nfs/dbraw/zinc/30/16/23/182301623.db2.gz	OAKKLSXHYCYJBM-UHFFFAOYSA-N	-2	1	311.746	2.839	40	0		DFABML
O=C1[N-]C(=S)NC1=Cc1c(Cl)cc(Cl)c([O-])c1Cl	ZINC000113830528	426122026	/nfs/dbraw/zinc/12/20/26/426122026.db2.gz	FFGQCLMCSMHLMR-LZCJLJQNSA-N	-2	1	323.588	2.698	40	0		DFABML
O=C([O-])c1cc(=O)n(-c2ccc(Cl)c(C(F)(F)F)c2)[n-]1	ZINC000217714550	304226337	/nfs/dbraw/zinc/22/63/37/304226337.db2.gz	QRMUBTAUNLQJTB-UHFFFAOYSA-N	-2	1	306.627	2.948	40	0		DFABML
O=C([O-])/C=C/c1cccc(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000044138816	183396556	/nfs/dbraw/zinc/39/65/56/183396556.db2.gz	ALGZPROJSRYPIG-MDZDMXLPSA-N	-2	1	303.339	2.585	40	0		DFABML
O=C([O-])c1ccc2[n-]cc3c(=O)n(-c4ccccc4)nc-3c2c1	ZINC000034925911	257129868	/nfs/dbraw/zinc/12/98/68/257129868.db2.gz	RMZYXNZOANYOPE-UHFFFAOYSA-N	-2	1	305.293	2.565	40	0		DFABML
O=C([O-])c1ccccc1-c1ccc(C=C2SC(=O)[N-]C2=O)o1	ZINC000035812027	182789050	/nfs/dbraw/zinc/78/90/50/182789050.db2.gz	LBYACMSEBZZFKO-GHXNOFRVSA-N	-2	1	315.306	2.969	40	0		DFABML
C[C@H](Oc1ccc(C=C2SC(=S)[N-]C2=O)cc1)C(=O)[O-]	ZINC000016905198	182063923	/nfs/dbraw/zinc/06/39/23/182063923.db2.gz	HQNPFRQQMYKSJB-FSEMZKDTSA-N	-2	1	309.368	2.868	40	0		DFABML
O=C([O-])CCc1cnc(COc2cccc3ccccc32)[n-]c1=O	ZINC000223444834	201644335	/nfs/dbraw/zinc/64/43/35/201644335.db2.gz	QPKVUIQWLLHHDK-UHFFFAOYSA-N	-2	1	324.336	2.519	40	0		DFABML
O=C([O-])c1cc(=O)n(-c2ccc(Cl)cc2C(F)(F)F)[n-]1	ZINC000217697558	304226468	/nfs/dbraw/zinc/22/64/68/304226468.db2.gz	XDPNGNLFYQVCBZ-UHFFFAOYSA-N	-2	1	306.627	2.948	40	0		DFABML
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1SC(=S)[N-]C1=O	ZINC000013914010	425762764	/nfs/dbraw/zinc/76/27/64/425762764.db2.gz	GWAWHIWSNHOXGC-PAKSIRSJSA-N	-2	1	317.395	2.897	40	0		DFABML
O=C([O-])c1cc(=O)n(-c2cc(C(F)(F)F)ccc2Cl)[n-]1	ZINC000217696399	304226309	/nfs/dbraw/zinc/22/63/09/304226309.db2.gz	LBBLRORCPCVFHM-UHFFFAOYSA-N	-2	1	306.627	2.948	40	0		DFABML
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/C=C/C(=O)[O-])cc1	ZINC000083319002	340545914	/nfs/dbraw/zinc/54/59/14/340545914.db2.gz	DNPQQEIHGUVWPH-DHZHZOJOSA-N	-2	1	317.366	2.894	40	0		DFABML
C[C@@H](Oc1ccc(C=C2SC(=S)[N-]C2=O)cc1)C(=O)[O-]	ZINC000016905196	182063450	/nfs/dbraw/zinc/06/34/50/182063450.db2.gz	HQNPFRQQMYKSJB-VSUWBIFXSA-N	-2	1	309.368	2.868	40	0		DFABML
COc1ccc(-c2c([O-])c3c(O)cc([O-])cc3oc2=O)cc1	ZINC000014983678	425777550	/nfs/dbraw/zinc/77/75/50/425777550.db2.gz	CIPQVCVRQQYHLE-UHFFFAOYSA-N	-2	1	300.266	2.585	40	0		DFABML