smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ccc2cc(S(=O)(=O)[O-])cc([O-])c2c1/N=N/c1ccccc1S(=O)(=O)c1ccccc1	ZINC000038171352	569799737	/nfs/dbraw/zinc/79/97/37/569799737.db2.gz	MAUHYLITSXECQK-OCOZRVBESA-N	-2	0	483.527	4.623	10	10		JJCERL
O=C([O-])c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(C(=O)[O-])cc4)N=C3C(F)(F)F)o2)cc1	ZINC000033314346	526357688	/nfs/dbraw/zinc/35/76/88/526357688.db2.gz	USDDOGIVVBFMAB-GZTJUZNOSA-N	-2	0	470.359	4.692	10	10		JJCERL
O=C([O-])c1ccc(-c2ccc(C=C3C(=O)[N-]C(=S)N(c4ccccc4)C3=O)o2)cc1Cl	ZINC000033319784	563110420	/nfs/dbraw/zinc/11/04/20/563110420.db2.gz	WETBJOIOAYPEBW-WJDWOHSUSA-N	-2	0	452.875	4.970	10	10		JJCERL
COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000033247705	521960649	/nfs/dbraw/zinc/96/06/49/521960649.db2.gz	SQUODJLRYQHEDO-NDENLUEZSA-N	-2	0	490.443	4.618	10	10		JJCERL
COc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000033316233	521959242	/nfs/dbraw/zinc/95/92/42/521959242.db2.gz	XXPYSLGMPHJPAU-BKUYFWCQSA-N	-2	0	486.480	4.788	10	10		JJCERL
Cc1cccc(N2C(=O)C(=Cc3ccccc3OCc3ccc(C(=O)[O-])cc3)C(=O)[N-]C2=S)c1	ZINC000033316176	524531857	/nfs/dbraw/zinc/53/18/57/524531857.db2.gz	YLAMHOYEPAPBLC-STZFKDTASA-N	-2	0	472.522	4.944	10	10		JJCERL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(C(=O)[O-])c4)cc3)C2=O)cc1	ZINC000033319967	521037583	/nfs/dbraw/zinc/03/75/83/521037583.db2.gz	MKDKEOQAOFOPFG-HAHDFKILSA-N	-2	0	486.480	4.869	10	10		JJCERL
O=C([O-])c1cc(-c2ccc(/C=C3\C(=O)[N-]N(c4ccc(Br)cc4)C3=O)o2)ccc1Cl	ZINC000033296082	526341309	/nfs/dbraw/zinc/34/13/09/526341309.db2.gz	WLQQMFYMGLVBFP-MHWRWJLKSA-N	-2	0	487.693	4.522	10	10		JJCERL
CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)o1	ZINC000015724135	563011706	/nfs/dbraw/zinc/01/17/06/563011706.db2.gz	XZRBYOCWWJMJRZ-GZTJUZNOSA-N	-2	0	450.834	4.803	10	10		JJCERL
O=C([O-])c1cccc(-c2ccc(/C=C3/SC(=S)N(c4cccc(C(=O)[O-])c4)C3=O)o2)c1	ZINC000020436979	526386938	/nfs/dbraw/zinc/38/69/38/526386938.db2.gz	QAJXVBYWYLQGKG-WOJGMQOQSA-N	-2	0	451.481	4.749	10	10		JJCERL