smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC(=O)[N-]C([N-]c1ccccc1Cl)(C(F)(F)F)C(F)(F)F	ZINC000002311631	563429130	/nfs/dbraw/zinc/42/91/30/563429130.db2.gz	JTZKEZOQKQWFDO-UHFFFAOYSA-N	-2	3	348.674	4.099	50	0		EIAAHL
CC1=Nc2c(c(=O)[n-]n2C(C)C)[C@H](c2ccc([O-])c(Cl)c2)S1	ZINC000071284558	203090211	/nfs/dbraw/zinc/09/02/11/203090211.db2.gz	IXTXBZUXDUYBDU-ZDUSSCGKSA-N	-2	3	337.832	4.415	50	0		EIAAHL
O=C([O-])c1ccccc1-c1ccccc1C(=O)Nc1ccccc1[O-]	ZINC000000167830	563916952	/nfs/dbraw/zinc/91/69/52/563916952.db2.gz	MJNITMIGRPVYGZ-UHFFFAOYSA-N	-2	3	333.343	4.010	50	0		EIAAHL
CCCCn1c2ccccc2c([O-])c(-c2nc3ccccc3[n-]2)c1=O	ZINC000003188715	563475960	/nfs/dbraw/zinc/47/59/60/563475960.db2.gz	ZRMUGVIQLQKBBD-UHFFFAOYSA-N	-2	3	333.391	4.051	50	0		EIAAHL
Cc1cccc2c1Oc1nc(-c3cc(Cl)ccc3[O-])[n-]c(=O)c1C2	ZINC000006748495	564096989	/nfs/dbraw/zinc/09/69/89/564096989.db2.gz	ITULFZQOFZSKKQ-UHFFFAOYSA-N	-2	3	340.766	4.213	50	0		EIAAHL
Cc1ccc(/C=C/S(=O)(=O)[N-]c2cc(Cl)cc(C)c2[O-])cc1	ZINC000072301047	563912793	/nfs/dbraw/zinc/91/27/93/563912793.db2.gz	YZXAIYZIYHJJSL-BQYQJAHWSA-N	-2	3	337.828	4.075	50	0		EIAAHL
Cc1ccc(CN[C@H](c2ccc3ccccc3c2)P(=O)([O-])[O-])cc1	ZINC000013004730	563685332	/nfs/dbraw/zinc/68/53/32/563685332.db2.gz	VEPCSRHGYDLCKV-IBGZPJMESA-N	-2	3	341.347	4.114	50	0		EIAAHL
CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)cc1	ZINC000006502327	564091063	/nfs/dbraw/zinc/09/10/63/564091063.db2.gz	QBDFSLJIFSOPSE-GFCCVEGCSA-N	-2	3	347.436	4.008	50	0		EIAAHL
O=C([O-])c1cc(-c2ccccc2[O-])nc2cc(Br)ccc21	ZINC000006884701	564100649	/nfs/dbraw/zinc/10/06/49/564100649.db2.gz	FQLCRRFGRBNDDU-UHFFFAOYSA-N	-2	3	344.164	4.068	50	0		EIAAHL
Cc1ccc(CN[C@@H](c2ccc3ccccc3c2)P(=O)([O-])[O-])cc1	ZINC000013004729	563685340	/nfs/dbraw/zinc/68/53/40/563685340.db2.gz	VEPCSRHGYDLCKV-LJQANCHMSA-N	-2	3	341.347	4.114	50	0		EIAAHL
[O-]/N=c1\oc2cc([O-])ccc2cc1-c1nc(-c2ccccc2)cs1	ZINC000004550307	563765008	/nfs/dbraw/zinc/76/50/08/563765008.db2.gz	YVLWJFUNRQUICN-JZJYNLBNSA-N	-2	3	336.372	4.219	50	0		EIAAHL
Cc1ccc2c(c1)Cc1c(=O)[n-]c(-c3cc(Cl)ccc3[O-])nc1O2	ZINC000006748477	564097022	/nfs/dbraw/zinc/09/70/22/564097022.db2.gz	UKIXMVBVFDUITH-UHFFFAOYSA-N	-2	3	340.766	4.213	50	0		EIAAHL
[O-]c1c(Cl)cc(Cl)cc1C([O-])(C(F)(F)F)C(F)(F)F	ZINC000004141920	210131472	/nfs/dbraw/zinc/13/14/72/210131472.db2.gz	RYPFYYQTHNPAEL-UHFFFAOYSA-N	-2	3	329.023	4.011	50	0		EIAAHL
CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1cc(Cl)ccc1[O-]	ZINC000252474290	564118909	/nfs/dbraw/zinc/11/89/09/564118909.db2.gz	AJHUVGVFFBFUDD-UHFFFAOYSA-N	-2	3	339.178	4.233	50	0		EIAAHL
CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)cc1	ZINC000006502328	210642088	/nfs/dbraw/zinc/64/20/88/210642088.db2.gz	QBDFSLJIFSOPSE-LBPRGKRZSA-N	-2	3	347.436	4.008	50	0		EIAAHL
Cc1ccc(/C=C\S(=O)(=O)[N-]c2cc(Cl)cc(C)c2[O-])cc1	ZINC000096035241	564145114	/nfs/dbraw/zinc/14/51/14/564145114.db2.gz	YZXAIYZIYHJJSL-FPLPWBNLSA-N	-2	3	337.828	4.075	50	0		EIAAHL
CCC(=O)[N-]C([N-]c1cccc(Cl)c1)(C(F)(F)F)C(F)(F)F	ZINC000026342879	563891112	/nfs/dbraw/zinc/89/11/12/563891112.db2.gz	GRKLGWATZABFBI-UHFFFAOYSA-N	-2	3	348.674	4.099	50	0		EIAAHL
Cc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2-c2cccs2)c1	ZINC000065586897	564107766	/nfs/dbraw/zinc/10/77/66/564107766.db2.gz	XHASZWFSZUMSOZ-UHFFFAOYSA-N	-2	3	345.445	4.230	50	0		EIAAHL
O=C(C=C([O-])c1ccccc1)c1ccc(OCc2ccccc2)cc1[O-]	ZINC000299803887	258105873	/nfs/dbraw/zinc/10/58/73/258105873.db2.gz	JMVGBEDHTPDYLD-UHFFFAOYSA-N	-2	3	346.382	4.427	50	0		EIAAHL
O=C([O-])CC/C(=C\c1cccc([O-])c1)c1nc2ccccc2s1	ZINC000007141208	563595958	/nfs/dbraw/zinc/59/59/58/563595958.db2.gz	QVUIHLRLVUWZMV-JLHYYAGUSA-N	-2	3	325.389	4.407	50	0		EIAAHL
CC1=Nc2c(c(=O)[n-]n2C(C)C)[C@@H](c2ccc([O-])c(Cl)c2)S1	ZINC000071284559	564110904	/nfs/dbraw/zinc/11/09/04/564110904.db2.gz	IXTXBZUXDUYBDU-CYBMUJFWSA-N	-2	3	337.832	4.415	50	0		EIAAHL
O=C([O-])c1ccccc1C1=Nc2ccc([O-])cc2Oc2cc(O)ccc21	ZINC000000266001	563268830	/nfs/dbraw/zinc/26/88/30/563268830.db2.gz	FOPDVSATCFBKCH-UHFFFAOYSA-N	-2	3	347.326	4.071	50	0		EIAAHL
[O-]c1ccc(-c2ccc([O-])c(Br)c2)cc1Br	ZINC000044069505	563926055	/nfs/dbraw/zinc/92/60/55/563926055.db2.gz	RJGXLSPAKXWJGN-UHFFFAOYSA-N	-2	3	344.002	4.290	50	0		EIAAHL
[O-]c1cc(O)ccc1-c1n[n-]c(=S)n1-c1cccc2ccccc21	ZINC000004575495	210225257	/nfs/dbraw/zinc/22/52/57/210225257.db2.gz	ISNBTODJGDBLAZ-UHFFFAOYSA-N	-2	3	335.388	4.161	50	0		EIAAHL