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-])Cc1sc(NN=Cc2ccc(-c3ccc(Br)cc3)o2)nc1[O-]	ZINC000006998975	557733139	/nfs/dbraw/zinc/73/31/39/557733139.db2.gz	WOOHUIMYZJQQAT-VFJJTOLMSA-N	-2	1	422.260	3.105	50	30		HGEAML
O=C([O-])Cc1sc(NN=Cc2ccccc2OCc2ccccc2Cl)nc1[O-]	ZINC000007003309	557733335	/nfs/dbraw/zinc/73/33/35/557733335.db2.gz	JFFFFETYUCHFHU-CTJICSLTSA-N	-2	1	417.874	3.315	50	30		HGEAML
O=C([O-])Cc1sc(NN=Cc2ccc(OCc3cccc(Cl)c3)cc2)nc1[O-]	ZINC000006974456	557731753	/nfs/dbraw/zinc/73/17/53/557731753.db2.gz	ZGWPWPYPZQJVAH-CTJICSLTSA-N	-2	1	417.874	3.315	50	30		HGEAML
O=C([O-])Cc1sc(NN=Cc2ccc(OCc3ccccc3Cl)cc2)nc1[O-]	ZINC000007003226	557733413	/nfs/dbraw/zinc/73/34/13/557733413.db2.gz	WMHSRISSIKRXCQ-PPAWOMOGSA-N	-2	1	417.874	3.315	50	30		HGEAML
C=CCN1C(=O)/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C(=O)[N-]C1=S	ZINC000002174931	569006986	/nfs/dbraw/zinc/00/69/86/569006986.db2.gz	WQHUBHUSCRDVGU-UKTHLTGXSA-N	-2	1	416.842	3.111	50	30		HGEAML
CC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc1	ZINC000095447961	568612367	/nfs/dbraw/zinc/61/23/67/568612367.db2.gz	UABLAVUGTDCKDA-UHFFFAOYSA-N	-2	1	402.881	3.114	50	30		HGEAML
CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C([O-])=C(C#N)C(=O)C(C)C)cc2)cc1	ZINC000103503249	560842682	/nfs/dbraw/zinc/84/26/82/560842682.db2.gz	ARJCZADHVCXENW-LJQANCHMSA-N	-2	1	412.467	3.238	50	30		HGEAML
Cc1ccc2[nH]c3c(nc([O-])n(/N=C/c4cccc(Br)c4[O-])c3=O)c2c1	ZINC000002278590	569327967	/nfs/dbraw/zinc/32/79/67/569327967.db2.gz	PDTHTFDCASRSGT-DNTJNYDQSA-N	-2	1	413.231	3.242	50	30		HGEAML
CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C([O-])=C(C#N)C(=O)C(C)C)cc2)cc1	ZINC000103503251	560842687	/nfs/dbraw/zinc/84/26/87/560842687.db2.gz	ARJCZADHVCXENW-IBGZPJMESA-N	-2	1	412.467	3.238	50	30		HGEAML
O=C([O-])Cc1sc(NN=Cc2cccc(OCc3ccccc3Cl)c2)nc1[O-]	ZINC000007003290	557733383	/nfs/dbraw/zinc/73/33/83/557733383.db2.gz	AVFQWMVQOVHLSM-CTJICSLTSA-N	-2	1	417.874	3.315	50	30		HGEAML
C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C(=O)[N-]C1=S	ZINC000002976273	568614144	/nfs/dbraw/zinc/61/41/44/568614144.db2.gz	JETQRYHDKQUPJD-UKTHLTGXSA-N	-2	1	416.842	3.111	50	30		HGEAML
C=CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C(=O)[N-]C1=S	ZINC000015837242	569005075	/nfs/dbraw/zinc/00/50/75/569005075.db2.gz	SMLCMYYWBNXQOC-GZTJUZNOSA-N	-2	1	409.467	3.445	50	30		HGEAML
C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C(=O)[N-]C1=S	ZINC000003764517	568963233	/nfs/dbraw/zinc/96/32/33/568963233.db2.gz	OTUIDYRFQNZEGZ-UKTHLTGXSA-N	-2	1	416.842	3.111	50	30		HGEAML
O=C([O-])Cc1sc(NN=Cc2cccc(OCc3ccc(Cl)cc3)c2)nc1[O-]	ZINC000006974589	557732077	/nfs/dbraw/zinc/73/20/77/557732077.db2.gz	RXZSHLMVJNPDBX-CTJICSLTSA-N	-2	1	417.874	3.315	50	30		HGEAML
O=C([O-])Cc1sc(NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)nc1[O-]	ZINC000006996802	557732537	/nfs/dbraw/zinc/73/25/37/557732537.db2.gz	VVANUFHZPOBCDZ-PPAWOMOGSA-N	-2	1	417.874	3.315	50	30		HGEAML
Cn1c2ccccc2c([O-])c(C(=Nc2ccccc2C(C)(C)C)c2nnn[n-]2)c1=O	ZINC000008830203	557811216	/nfs/dbraw/zinc/81/12/16/557811216.db2.gz	XTQNBYRLHKTGPL-NKFKGCMQSA-N	-2	1	402.458	3.224	50	30		HGEAML
Cn1c2ccccc2c([O-])c(C(=Nc2ccccc2C(C)(C)C)c2nn[n-]n2)c1=O	ZINC000008830203	557811217	/nfs/dbraw/zinc/81/12/17/557811217.db2.gz	XTQNBYRLHKTGPL-NKFKGCMQSA-N	-2	1	402.458	3.224	50	30		HGEAML
Cn1c2ccccc2c([O-])c(C(=Nc2ccccc2C(C)(C)C)c2nnn[n-]2)c1=O	ZINC000252637468	569317502	/nfs/dbraw/zinc/31/75/02/569317502.db2.gz	XTQNBYRLHKTGPL-UHFFFAOYSA-N	-2	1	402.458	3.224	50	30		HGEAML
Cn1c2ccccc2c([O-])c(C(=Nc2ccccc2C(C)(C)C)c2nn[n-]n2)c1=O	ZINC000252637468	569317503	/nfs/dbraw/zinc/31/75/03/569317503.db2.gz	XTQNBYRLHKTGPL-UHFFFAOYSA-N	-2	1	402.458	3.224	50	30		HGEAML