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-])/C=C/C#Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000039131473	213232006	/nfs/dbraw/zinc/23/20/06/213232006.db2.gz	MJBHEINNBFZEII-LFYBBSHMSA-N	-2	1	327.361	2.480	40	30	in-vitro	EEEBML
CC/N=C1\S/C(=C\c2cc([N+](=O)[O-])c([O-])cc2[O-])C(=O)N1CC	ZINC000408845669	466683261	/nfs/dbraw/zinc/68/32/61/466683261.db2.gz	HBSKUOHZDIMEQA-YREVGTFCSA-N	-2	1	337.357	2.318	40	30		EEEBML
CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2cc([O-])cc(F)c2)n1	ZINC000585140620	468988863	/nfs/dbraw/zinc/98/88/63/468988863.db2.gz	HLVQBXLRKKIDTB-UHFFFAOYSA-N	-2	1	338.364	2.155	40	30		EEEBML
Cc1c(C#N)c2nc3ccccc3n2c([O-])c1-c1[n-][nH]c(=O)c1C#N	ZINC000003026082	462609230	/nfs/dbraw/zinc/60/92/30/462609230.db2.gz	QQQFPVIZNWAQJI-UHFFFAOYSA-N	-2	1	330.307	2.341	40	30		EEEBML
CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000390834530	323545567	/nfs/dbraw/zinc/54/55/67/323545567.db2.gz	AUJRKGPSGMCFFL-UHFFFAOYSA-N	-2	1	345.380	2.028	40	30		EEEBML
C=CCc1cc(C=C2SC(=O)[N-]C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000016195377	462971373	/nfs/dbraw/zinc/97/13/73/462971373.db2.gz	OQTZQNRJVIKZHF-GHXNOFRVSA-N	-2	1	349.364	2.211	40	30		EEEBML