smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCn1c2c(nc(N)[n-]c2=O)n([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=O	ZINC000027108674	374980433	/nfs/dbraw/zinc/98/04/33/374980433.db2.gz	VDCRFBBZFHHYGT-FCKMSMMTSA-N	-1	1	339.308	-2.734	40	30		EAEBMM
O=C1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Oc2ccccc2N1[O-]	ZINC000030729629	375223912	/nfs/dbraw/zinc/22/39/12/375223912.db2.gz	OUSLYTBGQGKTME-PUOUXSMHSA-N	-1	1	343.288	-2.056	40	30	biogenic,in-vitro	EAEBMM
O=C1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Oc2ccccc2N1[O-]	ZINC000030729633	375223071	/nfs/dbraw/zinc/22/30/71/375223071.db2.gz	OUSLYTBGQGKTME-TWTZXXGESA-N	-1	1	343.288	-2.056	40	30	in-vitro	EAEBMM
C[C@H](NC(=O)[C@H](N)C[C@H](O)C(=O)[O-])[C@H](O)[C@@]12C[C@@H]1CC=CC2=O	ZINC000067911837	299224785	/nfs/dbraw/zinc/22/47/85/299224785.db2.gz	SYGQXRLXOOXDRP-LRNGUSLPSA-N	-1	1	326.349	-1.450	40	30	biogenic,in-vitro	EAEBMM
C[C@@H](NC(=O)[C@H](N)C[C@H](O)C(=O)[O-])[C@H](O)[C@@]12C[C@@H]1CC=CC2=O	ZINC000067911840	296099863	/nfs/dbraw/zinc/09/98/63/296099863.db2.gz	SYGQXRLXOOXDRP-UWNSELRZSA-N	-1	1	326.349	-1.450	40	30	biogenic,in-vitro	EAEBMM
C[C@H](NC(=O)[C@H](N)C[C@H](O)C(=O)[O-])[C@@H](O)[C@@]12C[C@@H]1CC=CC2=O	ZINC000067911842	299224720	/nfs/dbraw/zinc/22/47/20/299224720.db2.gz	SYGQXRLXOOXDRP-IWULYNHJSA-N	-1	1	326.349	-1.450	40	30	biogenic,in-vitro	EAEBMM
C[C@@H](NC(=O)[C@H](N)C[C@H](O)C(=O)[O-])[C@@H](O)[C@@]12C[C@@H]1CC=CC2=O	ZINC000067911843	296099902	/nfs/dbraw/zinc/09/99/02/296099902.db2.gz	SYGQXRLXOOXDRP-ACWRPMIZSA-N	-1	1	326.349	-1.450	40	30	biogenic,in-vitro	EAEBMM
C[C@H](NC(=O)[C@H](N)C[C@H](O)C(=O)[O-])[C@H](O)[C@]12C[C@H]1CC=CC2=O	ZINC000253389937	299224812	/nfs/dbraw/zinc/22/48/12/299224812.db2.gz	SYGQXRLXOOXDRP-IHXMKVFCSA-N	-1	1	326.349	-1.450	40	30	biogenic,in-vitro	EAEBMM