smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nnc([C@@H]2CCN(c3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)C2=O)c(=O)[nH]1	ZINC000013453798	562987534	/nfs/dbraw/zinc/98/75/34/562987534.db2.gz	BPPDXEYNAGIVIS-RYUDHWBXSA-N	-2	2	444.404	-0.272	1	0		IBAFLL
Nc1nnc([C@H]2CCN(c3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)C2=O)c(=O)[nH]1	ZINC000013453803	562987623	/nfs/dbraw/zinc/98/76/23/562987623.db2.gz	BPPDXEYNAGIVIS-NEPJUHHUSA-N	-2	2	444.404	-0.272	1	0		IBAFLL
CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(=O)[O-])C(N)=O	ZINC000013556651	562993203	/nfs/dbraw/zinc/99/32/03/562993203.db2.gz	OEHQWQRKDKDFPD-STQMWFEESA-N	-2	2	431.338	-0.960	1	0		IBAFLL
CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(=O)[O-])C(N)=O	ZINC000013556651	562993201	/nfs/dbraw/zinc/99/32/01/562993201.db2.gz	OEHQWQRKDKDFPD-STQMWFEESA-N	-2	2	431.338	-0.960	1	0		IBAFLL
CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000013779589	563006155	/nfs/dbraw/zinc/00/61/55/563006155.db2.gz	WOLIJLUUAXNSEH-STQMWFEESA-N	-3	2	432.322	-0.361	1	0		IBAFLL
CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000013779589	563006154	/nfs/dbraw/zinc/00/61/54/563006154.db2.gz	WOLIJLUUAXNSEH-STQMWFEESA-N	-3	2	432.322	-0.361	1	0		IBAFLL
CNC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)NC(C)=O	ZINC000028768872	563064366	/nfs/dbraw/zinc/06/43/66/563064366.db2.gz	VRUZVBOLWDATIR-KBPBESRZSA-N	-2	2	445.365	-0.699	1	0		IBAFLL
CNC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)NC(C)=O	ZINC000028768872	563064365	/nfs/dbraw/zinc/06/43/65/563064365.db2.gz	VRUZVBOLWDATIR-KBPBESRZSA-N	-2	2	445.365	-0.699	1	0		IBAFLL
Nc1nc2c(ncn2CCOC[P@](=O)([O-])O)c(NCCOCP(=O)([O-])O)n1	ZINC000040943156	563113507	/nfs/dbraw/zinc/11/35/07/563113507.db2.gz	JQWMYXBQFDPKNQ-UHFFFAOYSA-N	-2	2	426.263	-0.876	1	0		IBAFLL
Nc1nc2c(ncn2CCOC[P@@](=O)([O-])O)c(NCCOCP(=O)([O-])O)n1	ZINC000040943156	563113505	/nfs/dbraw/zinc/11/35/05/563113505.db2.gz	JQWMYXBQFDPKNQ-UHFFFAOYSA-N	-2	2	426.263	-0.876	1	0		IBAFLL
Nc1nc2c(ncn2CCOCP(=O)([O-])O)c(NCCOC[P@](=O)([O-])O)n1	ZINC000040943156	563113504	/nfs/dbraw/zinc/11/35/04/563113504.db2.gz	JQWMYXBQFDPKNQ-UHFFFAOYSA-N	-2	2	426.263	-0.876	1	0		IBAFLL
Nc1nc2c(ncn2CCOCP(=O)([O-])O)c(NCCOC[P@@](=O)([O-])O)n1	ZINC000040943156	563113502	/nfs/dbraw/zinc/11/35/02/563113502.db2.gz	JQWMYXBQFDPKNQ-UHFFFAOYSA-N	-2	2	426.263	-0.876	1	0		IBAFLL