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-])c1ccc([N+](=O)[O-])c2c1N[C@@H](C(=O)[O-])[C@@H]1CC=C[C@@H]21	ZINC000013634794	304251031	/nfs/dbraw/zinc/25/10/31/304251031.db2.gz	CTXNQOWRJIPUOM-NQYJQULFSA-N	-2	0	304.258	1.831	1	10		DDCFRL
O=C([O-])c1ccc(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1O	ZINC000033830681	560088770	/nfs/dbraw/zinc/08/87/70/560088770.db2.gz	QEKBODZRCRMMTC-UHFFFAOYSA-N	-2	0	322.225	1.132	1	10	biogenic,in-vitro	DDCFRL
O=C([O-])c1ccc([N+](=O)[O-])c2c1N[C@@H](C(=O)[O-])[C@H]1CC=C[C@@H]21	ZINC000004638876	304251117	/nfs/dbraw/zinc/25/11/17/304251117.db2.gz	CTXNQOWRJIPUOM-KEHGIVTQSA-N	-2	0	304.258	1.831	1	10	in-vitro	DDCFRL
O=C1NC(=S)C(=Cc2ccc(P(=O)([O-])[O-])cc2)S1	ZINC000095553047	185378978	/nfs/dbraw/zinc/37/89/78/185378978.db2.gz	VLKVMYBEIKOHEI-YVMONPNESA-N	-2	0	301.285	1.614	1	10		DDCFRL
COc1ccc(C(=O)C(=O)c2cc3c(cc2[O-])OCO3)c([O-])c1	ZINC000015113693	560228387	/nfs/dbraw/zinc/22/83/87/560228387.db2.gz	LIBXIJWGDDLJBP-UHFFFAOYSA-N	-2	0	316.265	1.901	1	10	biogenic,in-vitro	DDCFRL
CO[C@@H]1OC(C)=Cc2oc3cc([O-])c(O)c(C(=O)[O-])c3c(=O)c21	ZINC000003973877	181059441	/nfs/dbraw/zinc/05/94/41/181059441.db2.gz	CBEPLTZXYMLBAP-OAHLLOKOSA-N	-2	0	320.253	1.938	1	10	in-vitro	DDCFRL
CCO[P@](=O)([O-])[C@H](N[C@@H](C)C(=O)[O-])c1ccccc1O	ZINC000073277861	191300433	/nfs/dbraw/zinc/30/04/33/191300433.db2.gz	PQSMFTBFIIARBS-KWQFWETISA-N	-2	0	303.251	1.675	1	10		DDCFRL
CO[C@H]1OC(C)=Cc2oc3cc([O-])c(O)c(C(=O)[O-])c3c(=O)c21	ZINC000014163802	560221025	/nfs/dbraw/zinc/22/10/25/560221025.db2.gz	CBEPLTZXYMLBAP-HNNXBMFYSA-N	-2	0	320.253	1.938	1	10	in-vitro	DDCFRL
CO[C@H]1O[C@@H](C)Cc2oc3cc([O-])c(O)c(C(=O)[O-])c3c(=O)c21	ZINC000009301814	560211194	/nfs/dbraw/zinc/21/11/94/560211194.db2.gz	RSFJMLCZHPZXCW-SPHRHWQCSA-N	-2	0	322.269	1.509	1	10	in-vitro	DDCFRL
CO[C@@H]1O[C@H](C)Cc2oc3cc([O-])c(O)c(C(=O)[O-])c3c(=O)c21	ZINC000012502318	560212423	/nfs/dbraw/zinc/21/24/23/560212423.db2.gz	RSFJMLCZHPZXCW-MQWCLQQTSA-N	-2	0	322.269	1.509	1	10	in-vitro	DDCFRL
O=C([O-])c1ccc([N+](=O)[O-])c2c1N[C@@H](C(=O)[O-])[C@@H]1CC=C[C@H]21	ZINC000004132655	304251001	/nfs/dbraw/zinc/25/10/01/304251001.db2.gz	CTXNQOWRJIPUOM-QRPMWFLTSA-N	-2	0	304.258	1.831	1	10		DDCFRL
CCO[P@](=O)([O-])[C@@H](N[C@@H](C)C(=O)[O-])c1ccccc1O	ZINC000073277865	191299963	/nfs/dbraw/zinc/29/99/63/191299963.db2.gz	PQSMFTBFIIARBS-GZMMTYOYSA-N	-2	0	303.251	1.675	1	10		DDCFRL
CO[C@@H]1O[C@@H](C)Cc2oc3cc([O-])c(O)c(C(=O)[O-])c3c(=O)c21	ZINC000003973878	181059508	/nfs/dbraw/zinc/05/95/08/181059508.db2.gz	RSFJMLCZHPZXCW-AANKLQPISA-N	-2	0	322.269	1.509	1	10	in-vivo	DDCFRL
O=C([O-])c1ccc([N+](=O)[O-])c2c1N[C@@H](C(=O)[O-])[C@H]1CC=C[C@H]21	ZINC000004132651	304251051	/nfs/dbraw/zinc/25/10/51/304251051.db2.gz	CTXNQOWRJIPUOM-DJOAAKCGSA-N	-2	0	304.258	1.831	1	10		DDCFRL
COCc1c([O-])cc2c(c1O)C(=O)c1ccc([O-])cc1C2=O	ZINC000014811243	560226407	/nfs/dbraw/zinc/22/64/07/560226407.db2.gz	UTXDNFSXFFFWGI-UHFFFAOYSA-N	-2	0	300.266	1.725	1	10	biogenic,in-vitro	DDCFRL