smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](N=[N+]=[N-])C(=O)c1ccc([O-])cc1	205164191	571757273	/nfs/dbraw/zinc/75/72/73/571757273.db2.gz	AFJBEYBFAVYQGN-LURJTMIESA-N	-1	1	191.190	2.274	10	10		AECEMM
C[C@@H](N=[N+]=[N-])C(=O)c1ccc([O-])cc1	205164210	571758634	/nfs/dbraw/zinc/75/86/34/571758634.db2.gz	AFJBEYBFAVYQGN-ZCFIWIBFSA-N	-1	1	191.190	2.274	10	10		AECEMM
CC(C)(C)C(=O)c1ccc([O-])c(O)c1	1841827	571787852	/nfs/dbraw/zinc/78/78/52/571787852.db2.gz	PYYHPJWXMOZDTP-UHFFFAOYSA-N	-1	1	194.230	2.327	10	10		AECEMM
CCOC(=O)C(=C[O-])c1ccc(C)o1	238291409	572529455	/nfs/dbraw/zinc/52/94/55/572529455.db2.gz	YAFIGQFSDVRAPU-SOFGYWHQSA-N	-1	1	196.202	2.050	10	10		AECEMM
CN(C)/N=N/c1nc2ccccc2[n-]1	238306547	573188490	/nfs/dbraw/zinc/18/84/90/573188490.db2.gz	XMTAKWBNUPWNLJ-OUKQBFOZSA-N	-1	1	189.222	2.123	10	10		AECEMM
Cc1cc([O-])c(O)c2c1C(=O)C[C@H]2C	75580581	573634120	/nfs/dbraw/zinc/63/41/20/573634120.db2.gz	XHLJTEVPKBJVBL-ZCFIWIBFSA-N	-1	1	192.214	2.096	10	10		AECEMM
Cc1cc([O-])c(O)c2c1C(=O)C[C@@H]2C	75580579	573635205	/nfs/dbraw/zinc/63/52/05/573635205.db2.gz	XHLJTEVPKBJVBL-LURJTMIESA-N	-1	1	192.214	2.096	10	10		AECEMM
Cc1oc2c(O)c([O-])c(O)cc2c1C	238494584	573719994	/nfs/dbraw/zinc/71/99/94/573719994.db2.gz	YMCSQLPRGZHTFB-UHFFFAOYSA-N	-1	1	194.186	2.166	10	10		AECEMM
Cc1oc2c([O-])c(O)c(O)cc2c1C	238494584	573719996	/nfs/dbraw/zinc/71/99/96/573719996.db2.gz	YMCSQLPRGZHTFB-UHFFFAOYSA-N	-1	1	194.186	2.166	10	10		AECEMM
CN(C)N=Nc1nc2ccccc2[n-]1	308440752	573797442	/nfs/dbraw/zinc/79/74/42/573797442.db2.gz	XMTAKWBNUPWNLJ-UHFFFAOYSA-N	-1	1	189.222	2.123	10	10		AECEMM
COC(=O)c1sc(C2CC2)cc1[O-]	40542624	168139532	/nfs/dbraw/zinc/13/95/32/168139532.db2.gz	VKFUELFBQDEVGO-UHFFFAOYSA-N	-1	1	198.243	2.118	10	10		AECEMM
[O-]c1c(O)ccc(Cl)c1Cl	2014248	171003208	/nfs/dbraw/zinc/00/32/08/171003208.db2.gz	HFSXRRTUWAPWSJ-UHFFFAOYSA-N	-1	1	179.002	2.405	10	10	in-vitro	AECEMM
CCS1=CC=C(CC(=O)[O-])C=C1	39953756	171079322	/nfs/dbraw/zinc/07/93/22/171079322.db2.gz	ZRVNQRZEGLJQMN-UHFFFAOYSA-N	-1	1	184.260	2.006	10	10		AECEMM
[N-]=[N+]=NC=C([O-])c1c(F)cccc1F	130742013	343874465	/nfs/dbraw/zinc/87/44/65/343874465.db2.gz	XRNOSOZWQZAIPR-UHFFFAOYSA-N	-1	1	197.144	2.458	10	10		AECEMM
[N-]=[N+]=NC=C([O-])c1cccs1	108412596	351721769	/nfs/dbraw/zinc/72/17/69/351721769.db2.gz	UGAUPGUFBIXUBO-UHFFFAOYSA-N	-1	1	167.193	2.241	10	10		AECEMM
CC(=O)c1ccc([O-])c(CN=[N+]=[N-])c1	87567875	573947558	/nfs/dbraw/zinc/94/75/58/573947558.db2.gz	PSSKTJLSSXLSCQ-UHFFFAOYSA-N	-1	1	191.190	2.405	10	10		AECEMM