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-])[C@@H]1O[C@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000012153568	526293923	/nfs/dbraw/zinc/29/39/23/526293923.db2.gz	IKIIZLYTISPENI-RFBJODPTSA-N	-1	0	446.364	0.142	1	10		ICCFRM
N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)[O-])c1ccc(O)cc1	ZINC000026279186	563030652	/nfs/dbraw/zinc/03/06/52/563030652.db2.gz	IANQPCDRQJGCOP-JTDSTZFVSA-N	-1	0	443.456	0.606	1	10		ICCFRM
COC(=O)[C@H](C)N[P@](=O)([O-])OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1N=[N+]=[N-]	ZINC000026378234	563031228	/nfs/dbraw/zinc/03/12/28/563031228.db2.gz	ZBQDNWLFKWKJGX-LNFKQOIKSA-N	-1	0	432.330	0.080	1	10		ICCFRM
COC(=O)[C@H](C)N[P@](=O)([O-])OC[C@H]1O[C@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1N=[N+]=[N-]	ZINC000026378238	563031290	/nfs/dbraw/zinc/03/12/90/563031290.db2.gz	ZBQDNWLFKWKJGX-ZDCRXTMVSA-N	-1	0	432.330	0.080	1	10		ICCFRM
COC(=O)[C@H](C)N[P@](=O)([O-])OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-]	ZINC000026385942	563031561	/nfs/dbraw/zinc/03/15/61/563031561.db2.gz	ZBQDNWLFKWKJGX-UKKRHICBSA-N	-1	0	432.330	0.080	1	10		ICCFRM
O=C([O-])[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)NC(=O)/C=C\c1ccc(O)c(O)c1	ZINC000027205925	563040817	/nfs/dbraw/zinc/04/08/17/563040817.db2.gz	PECSAFQUPKTPTO-UCXBZYQCSA-N	-1	0	428.397	0.921	1	10		ICCFRM
O=C([O-])[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)NC(=O)/C=C\c1ccc(O)c(O)c1	ZINC000027205931	563040824	/nfs/dbraw/zinc/04/08/24/563040824.db2.gz	PECSAFQUPKTPTO-OFXCEVTDSA-N	-1	0	428.397	0.921	1	10		ICCFRM
O=C([O-])[C@H]1O[C@@H](Oc2cc3c(c(O)c2O)C(=O)C[C@@H](c2ccccc2)O3)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000033830690	563084779	/nfs/dbraw/zinc/08/47/79/563084779.db2.gz	UVNUGBQJLDGZKE-XDZPIWCFSA-N	-1	0	448.380	0.075	1	10		ICCFRM
O=C([O-])[C@H]1O[C@@H](Oc2cc3c(c(O)c2O)C(=O)C[C@H](c2ccccc2)O3)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000033830691	291317539	/nfs/dbraw/zinc/31/75/39/291317539.db2.gz	UVNUGBQJLDGZKE-IVYXBCMGSA-N	-1	0	448.380	0.075	1	10	biogenic,in-vitro	ICCFRM
C=C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O	ZINC000040575974	563105282	/nfs/dbraw/zinc/10/52/82/563105282.db2.gz	VSQGMOICBPIZKB-FRBMMBRRSA-N	-1	0	426.429	0.374	1	10		ICCFRM
Cc1cn([C@@H]2O[C@H](CO[P@@](=O)([O-])Oc3ccccc3)[C@@H](N=[N+]=[N-])[C@@H]2O)c(=O)[nH]c1=O	ZINC000045354206	563132426	/nfs/dbraw/zinc/13/24/26/563132426.db2.gz	DEEOMLABBQJVBV-GUIRCDHDSA-N	-1	0	439.321	0.978	1	10		ICCFRM
O=C(O[C@H]1[C@H](OCCc2ccc(O)c(O)c2)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccc(O)cc1	ZINC000095913734	560056450	/nfs/dbraw/zinc/05/64/50/560056450.db2.gz	FBFNBXHEVIRMBP-GQUPQBGVSA-N	-1	0	436.413	0.027	1	10	biogenic,in-vitro	ICCFRM