smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(C(=O)[O-])c(O)c1	ZINC000101148268	570817315	/nfs/dbraw/zinc/81/73/15/570817315.db2.gz	DISQXXPFWLFDGK-OQLLNIDSSA-N	-1	2	371.780	3.462	50	10		FGCALM
O=C([O-])c1ccccc1-c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc21	ZINC000004284433	204130279	/nfs/dbraw/zinc/13/02/79/204130279.db2.gz	QCGYJIWVJKJCCH-UHFFFAOYSA-N	-1	2	364.309	3.380	50	10		FGCALM
CC1=NN(c2ccc(C)cc2C)C(=O)C1=CNc1ccc(C(=O)[O-])c(O)c1	ZINC000100945116	222258294	/nfs/dbraw/zinc/25/82/94/222258294.db2.gz	VIFURMJJPQZNQB-YBEGLDIGSA-N	-1	2	365.389	3.426	50	10		FGCALM
CC1=NN(c2ccc(C)cc2C)C(=O)C1=CNc1ccc(C(=O)[O-])c(O)c1	ZINC000016284816	494382554	/nfs/dbraw/zinc/38/25/54/494382554.db2.gz	VIFURMJJPQZNQB-MHWRWJLKSA-N	-1	2	365.389	3.426	50	10		FGCALM
CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(C(=O)[O-])c(O)c1	ZINC000018209605	494428626	/nfs/dbraw/zinc/42/86/26/494428626.db2.gz	ZZDQYKQJOSBZLE-MHWRWJLKSA-N	-1	2	351.362	3.117	50	10		FGCALM
CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(C(=O)[O-])c(O)c1	ZINC000017130508	220207329	/nfs/dbraw/zinc/20/73/29/220207329.db2.gz	DISQXXPFWLFDGK-DHDCSXOGSA-N	-1	2	371.780	3.462	50	10		FGCALM
O=C1C=CC(S(=O)(=O)[O-])=CC1=NNC1C(=O)Nc2ccccc2C1=O	ZINC000006424123	493963243	/nfs/dbraw/zinc/96/32/43/493963243.db2.gz	XZXNMELNXSTYBI-ISLYRVAYSA-N	-1	2	361.335	3.014	50	10		FGCALM
Cc1ccccc1C=C1C(=O)NC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000016156575	494380877	/nfs/dbraw/zinc/38/08/77/494380877.db2.gz	JZYMQYJOPYQMMG-XNTDXEJSSA-N	-1	2	350.330	3.200	50	10		FGCALM
CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(C(=O)[O-])c(O)c1	ZINC000101141391	209222169	/nfs/dbraw/zinc/22/21/69/209222169.db2.gz	SVDJWXUQXPMMSX-OQLLNIDSSA-N	-1	2	371.780	3.462	50	10		FGCALM
O=C([O-])[C@H]1CS[C@H](c2ccccc2O)N1Cc1cc(Cl)ccc1O	ZINC000023187622	211380203	/nfs/dbraw/zinc/38/02/03/211380203.db2.gz	TWADQDKHELMUTE-CZUORRHYSA-N	-1	2	365.838	3.452	50	10		FGCALM