smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1oc2ccccc2c([O-])c1N=Nc1ccc(S(=O)(=O)[O-])cc1	ZINC000020032884	304819743	/nfs/dbraw/zinc/81/97/43/304819743.db2.gz	HJPIYLLGZDFKAN-WUKNDPDISA-N	-2	0	346.320	3.161	10	10		EGCERL
CC(C)=CCc1c(=O)cc2oc3c(O)c([O-])ccc3c(O)c-2c1[O-]	ZINC000014763039	453543444	/nfs/dbraw/zinc/54/34/44/453543444.db2.gz	NPQLJYVRPMRCAL-UHFFFAOYSA-N	-2	0	328.320	3.277	10	10	biogenic,in-vitro	EGCERL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000100064223	219089968	/nfs/dbraw/zinc/08/99/68/219089968.db2.gz	ULPPOWQPJBUQOF-HEWTWTGNSA-N	-2	0	339.311	3.175	10	10		EGCERL
Nc1cccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)c1	ZINC000722221689	1298335975	/nfs/dbraw/zinc/33/59/75/1298335975.db2.gz	OICIETNUAKBAKX-UHFFFAOYSA-N	-2	0	333.196	3.082	10	10		EGCERL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000254824552	244045278	/nfs/dbraw/zinc/04/52/78/244045278.db2.gz	ZAIHMYMWUJGVFK-OAHLLOKOSA-N	-2	0	339.311	3.175	10	10		EGCERL
CC1(C)C=Cc2c(cc3oc4c(O)c([O-])ccc4c([O-])c-3c2=O)O1	ZINC000005963547	210568938	/nfs/dbraw/zinc/56/89/38/210568938.db2.gz	UCLUVPCGXYTYEK-UHFFFAOYSA-N	-2	0	326.304	3.247	10	10	biogenic,in-vitro	EGCERL
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c([O-])c(Cl)c1	ZINC000033292941	304680067	/nfs/dbraw/zinc/68/00/67/304680067.db2.gz	HZKYZJVWCQCBIB-WDZFZDKYSA-N	-2	0	349.173	3.160	10	10		EGCERL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000254824551	244043846	/nfs/dbraw/zinc/04/38/46/244043846.db2.gz	ZAIHMYMWUJGVFK-HNNXBMFYSA-N	-2	0	339.311	3.175	10	10		EGCERL
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccccc1C(=O)[O-]	ZINC000100148573	219092340	/nfs/dbraw/zinc/09/23/40/219092340.db2.gz	FKRRHOOTCPNQDI-XNTDXEJSSA-N	-2	0	339.326	3.242	10	10		EGCERL
O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1cccc(F)c1[O-]	ZINC001141738177	1378368865	/nfs/dbraw/zinc/36/88/65/1378368865.db2.gz	YNCUQURGNFCWAG-UHFFFAOYSA-N	-2	0	330.142	3.474	10	10		EGCERL