smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(/N=N/c2nc(C(=O)[O-])c(C(=O)O)[n-]2)cc1	ZINC000005334170	181230718	/nfs/dbraw/zinc/23/07/18/181230718.db2.gz	HQKQBHVAENDJCC-WUKNDPDISA-N	-2	1	303.278	2.288	40	10		DECBML
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1SC(=S)[N-]C1=O	ZINC000100149968	193795024	/nfs/dbraw/zinc/79/50/24/193795024.db2.gz	GWAWHIWSNHOXGC-QBQSQJOESA-N	-2	1	317.395	2.057	40	10		DECBML
O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(O)cc2O)N1	ZINC000003019200	401721046	/nfs/dbraw/zinc/72/10/46/401721046.db2.gz	ARALPLKQENYHNR-ZBFHGGJFSA-N	-2	1	324.336	2.267	40	10		DECBML
CC(=O)c1c(CC(=O)[O-])nn(-c2nc3ccccc3s2)c1[O-]	ZINC000103567438	402192094	/nfs/dbraw/zinc/19/20/94/402192094.db2.gz	YJHHUMAQRIUURV-KPKJPENVSA-N	-2	1	317.326	2.306	40	10		DECBML
O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccc(O)cc2O)N1	ZINC000003019195	401721039	/nfs/dbraw/zinc/72/10/39/401721039.db2.gz	ARALPLKQENYHNR-GDBMZVCRSA-N	-2	1	324.336	2.267	40	10		DECBML
CCOc1ccc(C=C2SC(=S)[N-]C2=O)cc1C(=O)[O-]	ZINC000108238604	355732135	/nfs/dbraw/zinc/73/21/35/355732135.db2.gz	WXJGEIJMSOKUGB-POHAHGRESA-N	-2	1	309.368	2.272	40	10		DECBML
O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccc(O)cc2O)N1	ZINC000003019198	401720947	/nfs/dbraw/zinc/72/09/47/401720947.db2.gz	ARALPLKQENYHNR-GOEBONIOSA-N	-2	1	324.336	2.267	40	10		DECBML
CCOc1ccc(C(=O)[O-])cc1C=C1SC(=S)[N-]C1=O	ZINC000408531829	528408506	/nfs/dbraw/zinc/40/85/06/528408506.db2.gz	RUIVZFZGLWPUDD-POHAHGRESA-N	-2	1	309.368	2.272	40	10		DECBML