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-])COc1ccc(Cl)cc1C=C1SC(=S)[N-]C1=O	ZINC000222246869	464127440	/nfs/dbraw/zinc/12/74/40/464127440.db2.gz	YFOVFSMMSYDXDV-WTKPLQERSA-N	-2	1	329.786	2.292	40	10		EECBML
CC[C@@H](C)N1C(=O)C(=CNc2cccc(C(=O)[O-])c2)C(=O)[N-]C1=S	ZINC000103116393	1358326072	/nfs/dbraw/zinc/32/60/72/1358326072.db2.gz	WLIXYTUYCDWULI-ZPBHHCQCSA-N	-2	1	347.396	2.134	40	10		EECBML
C[C@H](O)Cc1cc(O)c2c(c1)C(=O)c1cc([O-])c(Cl)c([O-])c1C2=O	ZINC000514287746	467941139	/nfs/dbraw/zinc/94/11/39/467941139.db2.gz	RILOVTGOFDASJT-LURJTMIESA-N	-2	1	348.738	2.156	40	10	biogenic,in-vitro	EECBML
C[C@@H](O)Cc1cc(O)c2c(c1)C(=O)c1cc([O-])c(Cl)c([O-])c1C2=O	ZINC000514287747	467941194	/nfs/dbraw/zinc/94/11/94/467941194.db2.gz	RILOVTGOFDASJT-ZCFIWIBFSA-N	-2	1	348.738	2.156	40	10	biogenic,in-vitro	EECBML
CC[C@H](C)N1C(=O)C(=CNc2cccc(C(=O)[O-])c2)C(=O)[N-]C1=S	ZINC000103116395	1358325949	/nfs/dbraw/zinc/32/59/49/1358325949.db2.gz	WLIXYTUYCDWULI-RILYUOAZSA-N	-2	1	347.396	2.134	40	10		EECBML
CC[C@@H](C)N1C(=O)C(=CNc2ccc(C(=O)[O-])cc2)C(=O)[N-]C1=S	ZINC000102510947	1358303197	/nfs/dbraw/zinc/30/31/97/1358303197.db2.gz	QUAQHVLEEDCGSB-ZPBHHCQCSA-N	-2	1	347.396	2.134	40	10		EECBML
O=C([O-])CN1C(=O)/C(=C/c2ccc([O-])c(Cl)c2)SC1=S	ZINC000047080737	462742320	/nfs/dbraw/zinc/74/23/20/462742320.db2.gz	GUAOTGDAWLMEPQ-WTKPLQERSA-N	-2	1	329.786	2.331	40	10		EECBML
CC[C@H](C)N1C(=O)C(=CNc2ccc(C(=O)[O-])cc2)C(=O)[N-]C1=S	ZINC000102510953	1358303209	/nfs/dbraw/zinc/30/32/09/1358303209.db2.gz	QUAQHVLEEDCGSB-RILYUOAZSA-N	-2	1	347.396	2.134	40	10		EECBML
O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc([O-])c(Cl)c1	ZINC000409389525	466688010	/nfs/dbraw/zinc/68/80/10/466688010.db2.gz	BVCNNAVFQTZJIN-YRNVUSSQSA-N	-2	1	343.726	2.107	40	10		EECBML