smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000004545855	557565613	/nfs/dbraw/zinc/56/56/13/557565613.db2.gz	SEFVRKXJJPMVHQ-YUMQZZPRSA-N	-1	1	403.396	-4.147	40	0		HAABMM
NCC(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000004545856	569255370	/nfs/dbraw/zinc/25/53/70/569255370.db2.gz	SEFVRKXJJPMVHQ-SFYZADRCSA-N	-1	1	403.396	-4.147	40	0		HAABMM
CC(C)(Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1)[P@](=O)([O-])O	ZINC000005496659	557658037	/nfs/dbraw/zinc/65/80/37/557658037.db2.gz	RAPOFIDCKFEVMG-POYYFJLXSA-N	-1	1	405.304	-1.531	40	0		HAABMM
CC(C)(Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1)[P@](=O)([O-])O	ZINC000005496661	557658010	/nfs/dbraw/zinc/65/80/10/557658010.db2.gz	RAPOFIDCKFEVMG-TXRROPDSSA-N	-1	1	405.304	-1.531	40	0		HAABMM
Nc1nc2c(c(=O)[n-]1)N[C@H](NCCc1ccccc1)N2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000012376322	558392125	/nfs/dbraw/zinc/39/21/25/558392125.db2.gz	GINXPQLMJCCZKD-GPVPIWSBSA-N	-1	1	404.427	-1.861	40	0	biogenic,in-vitro	HAABMM
O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1	ZINC000015721529	558749625	/nfs/dbraw/zinc/74/96/25/558749625.db2.gz	CSVCLHYFVGHUCM-AVGNSLFASA-N	-1	1	420.426	-2.093	40	0	in-vitro	HAABMM
C[C@@H](O)C[NH+]1CCN(CC(=O)[O-])CC[NH+](CC(=O)[O-])CCN(CC(=O)[O-])CC1	ZINC000022016976	558458033	/nfs/dbraw/zinc/45/80/33/558458033.db2.gz	IQUHNCOJRJBMSU-CQSZACIVSA-N	-1	1	404.464	-2.157	40	0	fda	HAABMM
C[C@@H](O)CN1CC[NH+](CC(=O)[O-])CCN(CC(=O)[O-])CC[N@H+](CC(=O)[O-])CC1	ZINC000022016976	558458027	/nfs/dbraw/zinc/45/80/27/558458027.db2.gz	IQUHNCOJRJBMSU-CQSZACIVSA-N	-1	1	404.464	-2.157	40	0	fda	HAABMM
C[C@H](O)C[NH+]1CCN(CC(=O)[O-])CC[NH+](CC(=O)[O-])CCN(CC(=O)[O-])CC1	ZINC000022016981	558458102	/nfs/dbraw/zinc/45/81/02/558458102.db2.gz	IQUHNCOJRJBMSU-AWEZNQCLSA-N	-1	1	404.464	-2.157	40	0	fda	HAABMM
C[C@H](O)CN1CC[NH+](CC(=O)[O-])CCN(CC(=O)[O-])CC[N@H+](CC(=O)[O-])CC1	ZINC000022016981	558458095	/nfs/dbraw/zinc/45/80/95/558458095.db2.gz	IQUHNCOJRJBMSU-AWEZNQCLSA-N	-1	1	404.464	-2.157	40	0	fda	HAABMM
O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1	ZINC000028631749	558702787	/nfs/dbraw/zinc/70/27/87/558702787.db2.gz	CSVCLHYFVGHUCM-XQQFMLRXSA-N	-1	1	420.426	-2.093	40	0	in-vitro	HAABMM
CC(C)(Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1)[P@](=O)([O-])O	ZINC000031960561	519331026	/nfs/dbraw/zinc/33/10/26/519331026.db2.gz	RAPOFIDCKFEVMG-IZCITBFLSA-N	-1	1	405.304	-1.943	40	0		HAABMM
CC(C)(Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1)[P@](=O)([O-])O	ZINC000031960564	519329969	/nfs/dbraw/zinc/32/99/69/519329969.db2.gz	RAPOFIDCKFEVMG-YRCUVVFSSA-N	-1	1	405.304	-1.943	40	0		HAABMM
Nc1nc2c(c(=O)[n-]1)N[C@@H](NCCc1ccccc1)N2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000039939866	558822704	/nfs/dbraw/zinc/82/27/04/558822704.db2.gz	GINXPQLMJCCZKD-YRHKEVNRSA-N	-1	1	404.427	-1.861	40	0	biogenic,in-vitro	HAABMM
O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CCC(=O)N1	ZINC000071789738	558912157	/nfs/dbraw/zinc/91/21/57/558912157.db2.gz	CSVCLHYFVGHUCM-AGIUHOORSA-N	-1	1	420.426	-2.093	40	0	in-vitro	HAABMM
O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@H]1CCC(=O)N1	ZINC000071789739	558912246	/nfs/dbraw/zinc/91/22/46/558912246.db2.gz	CSVCLHYFVGHUCM-UPJWGTAASA-N	-1	1	420.426	-2.093	40	0	in-vitro	HAABMM
Nc1nc2c(c(=O)[n-]1)N[C@H](NCCc1ccccc1)N2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O	ZINC000254526807	560041443	/nfs/dbraw/zinc/04/14/43/560041443.db2.gz	GINXPQLMJCCZKD-SGQXMLLWSA-N	-1	1	404.427	-1.449	40	0	biogenic,in-vitro	HAABMM
Nc1nc2c(c(=O)[n-]1)N[C@H](NCCc1ccccc1)N2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O	ZINC000254526808	560041456	/nfs/dbraw/zinc/04/14/56/560041456.db2.gz	GINXPQLMJCCZKD-YTRBQIAMSA-N	-1	1	404.427	-1.449	40	0	biogenic,in-vitro	HAABMM
Nc1nc2c(c(=O)[n-]1)N[C@@H](NCCc1ccccc1)N2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O	ZINC000254526809	560041437	/nfs/dbraw/zinc/04/14/37/560041437.db2.gz	GINXPQLMJCCZKD-ZGWZXYFRSA-N	-1	1	404.427	-1.449	40	0	biogenic,in-vitro	HAABMM
Nc1nc2c(c(=O)[n-]1)N[C@@H](NCCc1ccccc1)N2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O	ZINC000254526810	560041486	/nfs/dbraw/zinc/04/14/86/560041486.db2.gz	GINXPQLMJCCZKD-ZPGJDBJZSA-N	-1	1	404.427	-1.449	40	0	biogenic,in-vitro	HAABMM
Cc1cn([C@@H]2CN(C(=O)CCNC(=O)c3cncc([O-])c3)C[C@H]2O)c(=O)[nH]c1=O	ZINC000257220322	568782017	/nfs/dbraw/zinc/78/20/17/568782017.db2.gz	DKJSNURFSIOLNM-ZIAGYGMSSA-N	-1	1	403.395	-1.078	40	0		HAABMM