smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-])c1[n-]c(=O)[nH]c(=O)c1N2	ZINC000003869906	571684266	/nfs/dbraw/zinc/68/42/66/571684266.db2.gz	YTNIXZGTHTVJBW-SCRDCRAPSA-N	-3	3	458.364	-0.933	10	0	endogenous,in-man	JBAEHL
Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-])c1[nH]c(=O)[n-]c(=O)c1N2	ZINC000003869906	571684263	/nfs/dbraw/zinc/68/42/63/571684263.db2.gz	YTNIXZGTHTVJBW-SCRDCRAPSA-N	-3	3	458.364	-0.933	10	0	endogenous,in-man	JBAEHL
Nc1nc2c(c(=O)[n-]1)N1CN(c3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)C[C@@H]1CN2	ZINC000003870062	194365607	/nfs/dbraw/zinc/36/56/07/194365607.db2.gz	QYNUQALWYRSVHF-QWHCGFSZSA-N	-3	3	457.447	-0.522	10	0	in-vitro	JBAEHL
Nc1nc2c(c(=O)[n-]1)N1CN(c3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)C[C@H]1CN2	ZINC000004228244	527560213	/nfs/dbraw/zinc/56/02/13/527560213.db2.gz	QYNUQALWYRSVHF-CHWSQXEVSA-N	-3	3	457.447	-0.522	10	0	endogenous,in-man	JBAEHL
Nc1nc2c(c(=O)[n-]1)N[C@H](CN(C=O)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)CN2	ZINC000004228247	571686337	/nfs/dbraw/zinc/68/63/37/571686337.db2.gz	AUFGTPPARQZWDO-AAEUAGOBSA-N	-3	3	473.446	-0.731	10	0	endogenous,in-man	JBAEHL
N=CN1c2c(=O)[n-]c(N)nc2NC[C@H]1CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000004228293	571686096	/nfs/dbraw/zinc/68/60/96/571686096.db2.gz	YCWUVLPMLLBDCU-OLZOCXBDSA-N	-3	3	472.462	-0.280	10	0	endogenous,in-man	JBAEHL
Nc1nc2c(c(=O)[n-]1)N1C(=O)N(c3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)C[C@H]1CN2	ZINC000004650688	562933530	/nfs/dbraw/zinc/93/35/30/562933530.db2.gz	JSNFRYBHBVDHSG-VXGBXAGGSA-N	-3	3	471.430	-0.359	10	0		JBAEHL
Nc1nc2c(c(=O)[n-]1)N1CN(c3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)C[C@@H]1CN2	ZINC000004654260	194393471	/nfs/dbraw/zinc/39/34/71/194393471.db2.gz	QYNUQALWYRSVHF-STQMWFEESA-N	-3	3	457.447	-0.522	10	0	biogenic,investigational	JBAEHL
Nc1nc2c(c(=O)[n-]1)N1C(=O)N(c3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)C[C@H]1CN2	ZINC000004654270	562933570	/nfs/dbraw/zinc/93/35/70/562933570.db2.gz	JSNFRYBHBVDHSG-NEPJUHHUSA-N	-3	3	471.430	-0.359	10	0	in-vitro	JBAEHL
Nc1nc2c(c(=O)[n-]1)N1C(=O)N(c3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)C[C@@H]1CN2	ZINC000004654271	562933554	/nfs/dbraw/zinc/93/35/54/562933554.db2.gz	JSNFRYBHBVDHSG-RYUDHWBXSA-N	-3	3	471.430	-0.359	10	0		JBAEHL
Nc1nc2c(c(=O)[n-]1)N[C@@H](CN(C=O)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)CN2	ZINC000008536462	571692662	/nfs/dbraw/zinc/69/26/62/571692662.db2.gz	AUFGTPPARQZWDO-YPMHNXCESA-N	-3	3	473.446	-0.731	10	0	endogenous,in-man	JBAEHL
N=CN1c2c(=O)[n-]c(N)nc2NC[C@@H]1CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000008551213	560209189	/nfs/dbraw/zinc/20/91/89/560209189.db2.gz	YCWUVLPMLLBDCU-STQMWFEESA-N	-3	3	472.462	-0.280	10	0	endogenous,in-vitro	JBAEHL
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCP(=O)([O-])[O-])C(=O)[O-])cc1	ZINC000028763232	563078364	/nfs/dbraw/zinc/07/83/64/563078364.db2.gz	WSHCJNSZXLKWSM-ZDUSSCGKSA-N	-3	3	490.417	-0.029	10	0		JBAEHL
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCP(=O)([O-])[O-])C(=O)[O-])cc1	ZINC000028763233	563078406	/nfs/dbraw/zinc/07/84/06/563078406.db2.gz	WSHCJNSZXLKWSM-CYBMUJFWSA-N	-3	3	490.417	-0.029	10	0		JBAEHL
Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCP(=O)([O-])[O-])C(=O)[O-])cc3)cnc2n1	ZINC000028764057	563078451	/nfs/dbraw/zinc/07/84/51/563078451.db2.gz	DIKMWUBVYMCSJH-LBPRGKRZSA-N	-3	3	476.390	-0.053	10	0		JBAEHL
Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@H](CCP(=O)([O-])[O-])C(=O)[O-])cc3)cnc2n1	ZINC000028764059	563078510	/nfs/dbraw/zinc/07/85/10/563078510.db2.gz	DIKMWUBVYMCSJH-GFCCVEGCSA-N	-3	3	476.390	-0.053	10	0		JBAEHL
O=P([O-])([O-])CCN(CCCCCCN(CCP(=O)([O-])[O-])P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000096332192	130071497	/nfs/dbraw/zinc/07/14/97/130071497.db2.gz	IZRUVEOICIBJPE-UHFFFAOYSA-N	-8	3	492.232	-0.308	10	0		JBAEHL