smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc(=O)c2c([nH]1)NCC(CCNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)=N2	ZINC000005544599	562934197	/nfs/dbraw/zinc/93/41/97/562934197.db2.gz	VEBDSVCWCXWVOS-ZDUSSCGKSA-N	-2	2	457.447	0.812	1	0		JCAFLL
Nc1nc2c(c(=O)[nH]1)C[C@H](CNc1ccc(C(=O)N[C@@H](CC[P@](=O)([O-])O)C(=O)[O-])cc1)CN2	ZINC000013454622	562964990	/nfs/dbraw/zinc/96/49/90/562964990.db2.gz	SGOILMDABCVEJA-YGRLFVJLSA-N	-2	2	480.418	0.212	1	0		JCAFLL
Nc1nc2c(c(=O)[nH]1)C[C@H](CNc1ccc(C(=O)N[C@@H](CC[P@@](=O)([O-])O)C(=O)[O-])cc1)CN2	ZINC000013454622	562964989	/nfs/dbraw/zinc/96/49/89/562964989.db2.gz	SGOILMDABCVEJA-YGRLFVJLSA-N	-2	2	480.418	0.212	1	0		JCAFLL
Nc1nc2c(c(=O)[nH]1)C[C@@H](CNc1ccc(C(=O)N[C@@H](CC[P@](=O)([O-])O)C(=O)[O-])cc1)CN2	ZINC000013454625	562965017	/nfs/dbraw/zinc/96/50/17/562965017.db2.gz	SGOILMDABCVEJA-HZMBPMFUSA-N	-2	2	480.418	0.212	1	0		JCAFLL
Nc1nc2c(c(=O)[nH]1)C[C@@H](CNc1ccc(C(=O)N[C@@H](CC[P@@](=O)([O-])O)C(=O)[O-])cc1)CN2	ZINC000013454625	562965016	/nfs/dbraw/zinc/96/50/16/562965016.db2.gz	SGOILMDABCVEJA-HZMBPMFUSA-N	-2	2	480.418	0.212	1	0		JCAFLL
Nc1nc2c(c(=O)[nH]1)C[C@H](CNc1ccc(C(=O)N[C@H](CC[P@](=O)([O-])O)C(=O)[O-])cc1)CN2	ZINC000013454628	562964995	/nfs/dbraw/zinc/96/49/95/562964995.db2.gz	SGOILMDABCVEJA-QMTHXVAHSA-N	-2	2	480.418	0.212	1	0		JCAFLL
Nc1nc2c(c(=O)[nH]1)C[C@H](CNc1ccc(C(=O)N[C@H](CC[P@@](=O)([O-])O)C(=O)[O-])cc1)CN2	ZINC000013454628	562964994	/nfs/dbraw/zinc/96/49/94/562964994.db2.gz	SGOILMDABCVEJA-QMTHXVAHSA-N	-2	2	480.418	0.212	1	0		JCAFLL
Nc1nc2c(c(=O)[nH]1)C[C@@H](CNc1ccc(C(=O)N[C@H](CC[P@](=O)([O-])O)C(=O)[O-])cc1)CN2	ZINC000013454631	562964979	/nfs/dbraw/zinc/96/49/79/562964979.db2.gz	SGOILMDABCVEJA-IINYFYTJSA-N	-2	2	480.418	0.212	1	0		JCAFLL
Nc1nc2c(c(=O)[nH]1)C[C@@H](CNc1ccc(C(=O)N[C@H](CC[P@@](=O)([O-])O)C(=O)[O-])cc1)CN2	ZINC000013454631	562964978	/nfs/dbraw/zinc/96/49/78/562964978.db2.gz	SGOILMDABCVEJA-IINYFYTJSA-N	-2	2	480.418	0.212	1	0		JCAFLL
Nc1nc(=O)c2c([nH]1)NCC(CSc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)=N2	ZINC000013533232	562972356	/nfs/dbraw/zinc/97/23/56/562972356.db2.gz	KPENJEPBRSFIHQ-LBPRGKRZSA-N	-2	2	460.472	0.690	1	0		JCAFLL
CNc1nc(I)nc2c1ncn2CC(CP(=O)([O-])O)C[P@](=O)([O-])O	ZINC000028701623	563074448	/nfs/dbraw/zinc/07/44/48/563074448.db2.gz	GHMVWKJOLWGSGQ-UHFFFAOYSA-N	-2	2	491.119	0.444	1	0		JCAFLL
CNc1nc(I)nc2c1ncn2CC(CP(=O)([O-])O)C[P@@](=O)([O-])O	ZINC000028701623	563074446	/nfs/dbraw/zinc/07/44/46/563074446.db2.gz	GHMVWKJOLWGSGQ-UHFFFAOYSA-N	-2	2	491.119	0.444	1	0		JCAFLL
CNc1nc(Cl)nc2c1ncn2C[C@@H](CO[P@@](=O)([O-])OP(=O)([O-])O)C[P@](=O)([O-])O	ZINC000038156343	563132623	/nfs/dbraw/zinc/13/26/23/563132623.db2.gz	BSEQAJJHXMWROO-LURJTMIESA-N	-3	2	495.646	0.542	1	0		JCAFLL
CNc1nc(Cl)nc2c1ncn2C[C@@H](CO[P@@](=O)([O-])OP(=O)([O-])O)C[P@@](=O)([O-])O	ZINC000038156343	563132621	/nfs/dbraw/zinc/13/26/21/563132621.db2.gz	BSEQAJJHXMWROO-LURJTMIESA-N	-3	2	495.646	0.542	1	0		JCAFLL
CNc1nc(Cl)nc2c1ncn2C[C@@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)CP(=O)([O-])O	ZINC000038156343	563132619	/nfs/dbraw/zinc/13/26/19/563132619.db2.gz	BSEQAJJHXMWROO-LURJTMIESA-N	-3	2	495.646	0.542	1	0		JCAFLL
CNc1nc(Cl)nc2c1ncn2C[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)CP(=O)([O-])O	ZINC000038156343	563132617	/nfs/dbraw/zinc/13/26/17/563132617.db2.gz	BSEQAJJHXMWROO-LURJTMIESA-N	-3	2	495.646	0.542	1	0		JCAFLL
CNc1nc(Cl)nc2c1ncn2C[C@H](CO[P@@](=O)([O-])OP(=O)([O-])O)C[P@](=O)([O-])O	ZINC000038156344	563132663	/nfs/dbraw/zinc/13/26/63/563132663.db2.gz	BSEQAJJHXMWROO-ZCFIWIBFSA-N	-3	2	495.646	0.542	1	0		JCAFLL
CNc1nc(Cl)nc2c1ncn2C[C@H](CO[P@@](=O)([O-])OP(=O)([O-])O)C[P@@](=O)([O-])O	ZINC000038156344	563132662	/nfs/dbraw/zinc/13/26/62/563132662.db2.gz	BSEQAJJHXMWROO-ZCFIWIBFSA-N	-3	2	495.646	0.542	1	0		JCAFLL
CNc1nc(Cl)nc2c1ncn2C[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)CP(=O)([O-])O	ZINC000038156344	563132661	/nfs/dbraw/zinc/13/26/61/563132661.db2.gz	BSEQAJJHXMWROO-ZCFIWIBFSA-N	-3	2	495.646	0.542	1	0		JCAFLL
CNc1nc(Cl)nc2c1ncn2C[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)CP(=O)([O-])O	ZINC000038156344	563132660	/nfs/dbraw/zinc/13/26/60/563132660.db2.gz	BSEQAJJHXMWROO-ZCFIWIBFSA-N	-3	2	495.646	0.542	1	0		JCAFLL
O=P([O-])(O)C(O)(CCCCOc1nonc1S(=O)(=O)c1ccccc1)[P@](=O)([O-])O	ZINC000049112896	563202564	/nfs/dbraw/zinc/20/25/64/563202564.db2.gz	PSWFNEHHRVMWEJ-UHFFFAOYSA-N	-2	2	472.305	0.453	1	0	in-vitro	JCAFLL
O=P([O-])(O)C(O)(CCCCOc1nonc1S(=O)(=O)c1ccccc1)[P@@](=O)([O-])O	ZINC000049112896	563202563	/nfs/dbraw/zinc/20/25/63/563202563.db2.gz	PSWFNEHHRVMWEJ-UHFFFAOYSA-N	-2	2	472.305	0.453	1	0	in-vitro	JCAFLL
O=P([O-])(O)C(CCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)[P@@](=O)([O-])O	ZINC000049113185	563202636	/nfs/dbraw/zinc/20/26/36/563202636.db2.gz	UUOOWCLJIBYCCS-UHFFFAOYSA-N	-2	2	472.305	0.371	1	0		JCAFLL
O=P([O-])(O)C(CCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)[P@](=O)([O-])O	ZINC000049113185	563202635	/nfs/dbraw/zinc/20/26/35/563202635.db2.gz	UUOOWCLJIBYCCS-UHFFFAOYSA-N	-2	2	472.305	0.371	1	0		JCAFLL
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)ccc1O	ZINC000084154202	565121900	/nfs/dbraw/zinc/12/19/00/565121900.db2.gz	UXXAEVMOIUAYQT-OSEMTFJBSA-N	-2	2	462.407	0.792	1	0	biogenic,in-vitro	JCAFLL