smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1nc(SC(=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C(=O)[O-])n[n-]1	ZINC000408631665	557073209	/nfs/dbraw/zinc/07/32/09/557073209.db2.gz	LDBHAIVKZKRGIA-PXNMLYILSA-N	-2	3	437.352	5.299	40	10		IKCBHL
Cc1c(C)n(-c2cc([N-]S(=O)(=O)c3ccccc3)cc(Cl)c2[O-])c2ccccc12	ZINC000016779681	556641324	/nfs/dbraw/zinc/64/13/24/556641324.db2.gz	STJTXCQQIJZBAX-UHFFFAOYSA-N	-2	3	426.925	5.407	40	10		IKCBHL
O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3/[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)o2)c1	ZINC000409233357	557025044	/nfs/dbraw/zinc/02/50/44/557025044.db2.gz	VGVRUBWSEKPIMP-LICLKQGHSA-N	-2	3	443.242	5.049	40	10		IKCBHL
Cc1c(C)n(-c2cc([N-]S(=O)(=O)c3ccc(F)cc3)cc(Cl)c2[O-])c2ccccc12	ZINC000016779688	556641354	/nfs/dbraw/zinc/64/13/54/556641354.db2.gz	XHEZLBZDLPPHHR-UHFFFAOYSA-N	-2	3	444.915	5.546	40	10		IKCBHL
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2)N3)cc1	ZINC000058849837	557811874	/nfs/dbraw/zinc/81/18/74/557811874.db2.gz	JCSBMDTVEMXZNB-YZUZCNPQSA-N	-2	3	446.528	5.012	40	10		IKCBHL
CCc1nc(SC(=Cc2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C(=O)[O-])n[n-]1	ZINC000408632896	557081457	/nfs/dbraw/zinc/08/14/57/557081457.db2.gz	UUBBRPAPOCSPOI-JCMHNJIXSA-N	-2	3	444.560	5.659	40	10		IKCBHL
O=C([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	ZINC000058845615	557812771	/nfs/dbraw/zinc/81/27/71/557812771.db2.gz	NBHDIQKHSAQTTB-YZUZCNPQSA-N	-2	3	446.528	5.012	40	10		IKCBHL
O=S(=O)([N-]c1ccc([O-])c(-c2c(O)ccc3ccccc32)c1)c1cccc2cccnc21	ZINC000008859986	569479870	/nfs/dbraw/zinc/47/98/70/569479870.db2.gz	GZEORWVYZZMKSJ-UHFFFAOYSA-N	-2	3	442.496	5.267	40	10		IKCBHL
CCCc1nc(SC(=Cc2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C(=O)[O-])n[n-]1	ZINC000408633526	556008238	/nfs/dbraw/zinc/00/82/38/556008238.db2.gz	ZJDXWNIUFLMVPA-MFOYZWKCSA-N	-2	3	434.924	5.175	40	10		IKCBHL
Cc1c(C)n(-c2cc([N-]S(=O)(=O)c3ccc(C)cc3)cc(Cl)c2[O-])c2ccccc12	ZINC000016779682	556641386	/nfs/dbraw/zinc/64/13/86/556641386.db2.gz	YDGZPUDRHSPICV-UHFFFAOYSA-N	-2	3	440.952	5.716	40	10		IKCBHL
O=C([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[C@H]2C=CC[C@H]21	ZINC000058845655	557812827	/nfs/dbraw/zinc/81/28/27/557812827.db2.gz	CFQHKEPROCSUGD-GLDPYIMESA-N	-2	3	446.528	5.012	40	10		IKCBHL
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc([O-])c(Sc3nc4ccccc4[nH]3)c2)c(C)c1	ZINC000001926431	568923348	/nfs/dbraw/zinc/92/33/48/568923348.db2.gz	PDOKZMNKUUETCC-UHFFFAOYSA-N	-2	3	439.562	5.146	40	10		IKCBHL