smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1C=CC(=NNc2cc(Cl)cc(S(=O)(=O)[O-])c2O)C([O-])=C1	ZINC000254017828	244041293	/nfs/dbraw/zinc/04/12/93/244041293.db2.gz	OTKYOGBGHUUFPC-UHFFFAOYSA-N	-2	1	344.732	3.119	40	10		EGCBML
Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000408817189	457588425	/nfs/dbraw/zinc/58/84/25/457588425.db2.gz	XHEAPXFTWJSBQP-ZSOIEALJSA-N	-2	1	342.376	3.116	40	10		EGCBML
Cc1ccc(-c2ccc(C=C3SC(=O)[N-]C3=O)o2)cc1C(=O)[O-]	ZINC000059105254	454253289	/nfs/dbraw/zinc/25/32/89/454253289.db2.gz	JOODSNDFNHZKPN-NTUHNPAUSA-N	-2	1	329.333	3.277	40	10		EGCBML
O=C([O-])c1cccc(-c2ccc(/C=C3\SC(=S)[N-]C3=O)o2)c1	ZINC000013475931	453468416	/nfs/dbraw/zinc/46/84/16/453468416.db2.gz	BHFPIPOWNHCUDR-GHXNOFRVSA-N	-2	1	331.374	3.134	40	10		EGCBML
Cc1c(C(=O)[O-])cccc1-c1ccc(C=C2SC(=O)[N-]C2=O)o1	ZINC000015008920	453550665	/nfs/dbraw/zinc/55/06/65/453550665.db2.gz	QDSSPOBUWOXOBT-NTUHNPAUSA-N	-2	1	329.333	3.277	40	10		EGCBML
Cc1c(C(=O)[O-])cccc1-c1ccc(C=C2SC(=S)[N-]C2=O)o1	ZINC000408821819	457588820	/nfs/dbraw/zinc/58/88/20/457588820.db2.gz	KKLRQPWWTFZYRX-QPEQYQDCSA-N	-2	1	345.401	3.442	40	10		EGCBML
O=C1[N-]C(=S)S/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2[O-])o1	ZINC000035962275	213053308	/nfs/dbraw/zinc/05/33/08/213053308.db2.gz	WDMUMCYYKPXDEM-SDQBBNPISA-N	-2	1	348.361	3.049	40	10		EGCBML
O=C1[N-]C(=S)S/C1=C/c1ccc(-c2ccc([O-])c([N+](=O)[O-])c2)o1	ZINC000005816352	452904189	/nfs/dbraw/zinc/90/41/89/452904189.db2.gz	HWXDCLSNQXLQTA-WUXMJOGZSA-N	-2	1	348.361	3.049	40	10		EGCBML
O=C1C=CC(=NNc2cc(Cl)cc(S(=O)(=O)[O-])c2O)C([O-])=C1	ZINC000100325113	219096505	/nfs/dbraw/zinc/09/65/05/219096505.db2.gz	OTKYOGBGHUUFPC-PFONDFGASA-N	-2	1	344.732	3.119	40	10		EGCBML
Cc1ccc(C(=O)[O-])cc1-c1ccc(C=C2SC(=O)[N-]C2=O)o1	ZINC000033438347	453914723	/nfs/dbraw/zinc/91/47/23/453914723.db2.gz	CAVSNCNEUYETHB-QPEQYQDCSA-N	-2	1	329.333	3.277	40	10		EGCBML