smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccccc1C(=O)[O-]	ZINC000100510868	559213898	/nfs/dbraw/zinc/21/38/98/559213898.db2.gz	DYPBIUHXUHTZST-IUBFCHALSA-N	-2	0	419.466	4.692	40	10		HJCBRL
Cc1c(Cl)c(NN=C2C(=O)C(C(=O)[O-])=Cc3ccccc32)ccc1S(=O)(=O)[O-]	ZINC000003953869	557503731	/nfs/dbraw/zinc/50/37/31/557503731.db2.gz	RBQONMJTZICEIN-QZQOTICOSA-N	-2	0	420.830	4.868	40	10	in-vitro	HJCBRL
O=C([O-])c1cccc2cccc(-c3c4ccc([O-])c(O)c4oc4c(O)c(=O)ccc3-4)c21	ZINC000005030634	551065499	/nfs/dbraw/zinc/06/54/99/551065499.db2.gz	NYLLADZYPUKUTH-UHFFFAOYSA-N	-2	0	414.369	4.533	40	10		HJCBRL
CCc1ccc(N2C(=O)C(=Cc3cc(Cl)c([O-])c(Cl)c3)C(=O)[N-]C2=S)cc1	ZINC000038176808	569360698	/nfs/dbraw/zinc/36/06/98/569360698.db2.gz	OXTDSWVSLUZNPS-NTUHNPAUSA-N	-2	0	421.305	4.933	40	10		HJCBRL
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1cc(Cl)c([O-])c(Cl)c1	ZINC000059136046	568701247	/nfs/dbraw/zinc/70/12/47/568701247.db2.gz	PLPMLCOGYQDHOE-WEVVVXLNSA-N	-2	0	411.241	4.510	40	10		HJCBRL
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000083327265	558833722	/nfs/dbraw/zinc/83/37/22/558833722.db2.gz	BTYULHUFASGMHO-WUXMJOGZSA-N	-2	0	411.628	4.859	40	10		HJCBRL
Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccc(C(=O)[O-])cc1	ZINC000100510876	559214033	/nfs/dbraw/zinc/21/40/33/559214033.db2.gz	DHEKHMMWDBHFOK-FTGFMQHASA-N	-2	0	419.466	4.692	40	10		HJCBRL
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3[O-])C2=O)c1	ZINC000083308386	558833362	/nfs/dbraw/zinc/83/33/62/558833362.db2.gz	UXVDTNSMJKQVNX-VGOFMYFVSA-N	-2	0	405.237	4.823	40	10		HJCBRL
Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccccc1C(=O)[O-]	ZINC000100510870	559214070	/nfs/dbraw/zinc/21/40/70/559214070.db2.gz	DYPBIUHXUHTZST-FTGFMQHASA-N	-2	0	419.466	4.692	40	10		HJCBRL
Cc1c(Cl)c(NN=C2C(=O)C(C(=O)[O-])=Cc3ccccc32)ccc1S(=O)(=O)[O-]	ZINC000012671134	558445819	/nfs/dbraw/zinc/44/58/19/558445819.db2.gz	RBQONMJTZICEIN-MRCUWXFGSA-N	-2	0	420.830	4.868	40	10	in-vitro	HJCBRL
Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccc(C(=O)[O-])cc1	ZINC000100510874	559214062	/nfs/dbraw/zinc/21/40/62/559214062.db2.gz	DHEKHMMWDBHFOK-IUBFCHALSA-N	-2	0	419.466	4.692	40	10		HJCBRL