smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c([O-])[nH]c(=O)n(-c4ccc(C)cc4)c3=O)C2=O)cc1	ZINC000002738840	132256729	/nfs/dbraw/zinc/25/67/29/132256729.db2.gz	WRRYSFFNHXZGIJ-GZTJUZNOSA-N	-2	3	446.419	1.515	50	10		IDCAHL
Cc1ccc(-n2c([O-])c(C=C3C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)c(=O)[nH]c2=O)cc1	ZINC000002738840	132256732	/nfs/dbraw/zinc/25/67/32/132256732.db2.gz	WRRYSFFNHXZGIJ-GZTJUZNOSA-N	-2	3	446.419	1.515	50	10		IDCAHL
COc1ccc(S(=O)(=O)[N-]c2ccc([N-]S(C)(=O)=O)c(OC)c2)cc1NC(C)=O	ZINC000032088329	569459462	/nfs/dbraw/zinc/45/94/62/569459462.db2.gz	BKONIRBXMPWZIJ-UHFFFAOYSA-N	-2	3	443.503	1.835	50	10		IDCAHL
COc1cccc([C@@H]2[NH2+][C@H](C(=O)[O-])[C@H]3C(=O)N(c4cccc(C(=O)[O-])c4)C(=O)[C@@H]23)c1[O-]	ZINC000245296618	568914312	/nfs/dbraw/zinc/91/43/12/568914312.db2.gz	MQAPAQVQATVFKC-UGUYLWEFSA-N	-2	3	426.381	1.002	50	10		IDCAHL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c([O-])[nH]c(=O)n(-c4ccc(C)cc4)c3=O)C2=O)cc1	ZINC000015930195	556565127	/nfs/dbraw/zinc/56/51/27/556565127.db2.gz	WRRYSFFNHXZGIJ-BOPFTXTBSA-N	-2	3	446.419	1.515	50	10		IDCAHL
Cc1ccc(-n2c([O-])c(C=C3C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)c(=O)[nH]c2=O)cc1	ZINC000015930195	556565129	/nfs/dbraw/zinc/56/51/29/556565129.db2.gz	WRRYSFFNHXZGIJ-BOPFTXTBSA-N	-2	3	446.419	1.515	50	10		IDCAHL
COc1cccc([C@@H]2[NH2+][C@H](C(=O)[O-])[C@@H]3C(=O)N(c4cccc(C(=O)[O-])c4)C(=O)[C@H]23)c1[O-]	ZINC000245296616	568914295	/nfs/dbraw/zinc/91/42/95/568914295.db2.gz	MQAPAQVQATVFKC-FZKCQIBNSA-N	-2	3	426.381	1.002	50	10		IDCAHL
COc1cccc([C@@H]2[NH2+][C@H](C(=O)[O-])[C@@H]3C(=O)N(c4cccc(C(=O)[O-])c4)C(=O)[C@@H]23)c1[O-]	ZINC000169700798	569076614	/nfs/dbraw/zinc/07/66/14/569076614.db2.gz	MQAPAQVQATVFKC-WCVJEAGWSA-N	-2	3	426.381	1.002	50	10		IDCAHL
COc1cccc([C@@H]2[NH2+][C@H](C(=O)[O-])[C@H]3C(=O)N(c4cccc(C(=O)[O-])c4)C(=O)[C@H]23)c1[O-]	ZINC000020131165	556987736	/nfs/dbraw/zinc/98/77/36/556987736.db2.gz	MQAPAQVQATVFKC-VGWMRTNUSA-N	-2	3	426.381	1.002	50	10		IDCAHL
COCCS(=O)(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000096011293	569379783	/nfs/dbraw/zinc/37/97/83/569379783.db2.gz	UFARYVFXUVONBB-UHFFFAOYSA-N	-2	3	430.460	1.662	50	10		IDCAHL
CCOc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(I)c1[O-]	ZINC000009262601	556269495	/nfs/dbraw/zinc/26/94/95/556269495.db2.gz	HAEUAIFJSIBSJI-YWEYNIOJSA-N	-2	3	432.239	1.652	50	10		IDCAHL