smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)CCN(C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCC(=O)N2)[C@@H]1C(N)=O	ZINC000005114517	212146088	/nfs/dbraw/zinc/14/60/88/212146088.db2.gz	ZEQAPQNFHVYDEL-SGMGOOAPSA-N	0	1	390.444	-1.172	1	0	investigational	GAAFMN
CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1	ZINC000005762965	209232239	/nfs/dbraw/zinc/23/22/39/209232239.db2.gz	QXIRQEYFDVIBTN-XQQFMLRXSA-N	0	1	376.417	-1.547	1	0		GAAFMN
CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1	ZINC000005762968	209231004	/nfs/dbraw/zinc/23/10/04/209231004.db2.gz	QXIRQEYFDVIBTN-AVGNSLFASA-N	0	1	376.417	-1.547	1	0		GAAFMN
CO[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C)[C@H]1O[C@@H](SC)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000006021124	560204437	/nfs/dbraw/zinc/20/44/37/560204437.db2.gz	WVXCVWNSJUNIRQ-KGSIJETNSA-N	0	1	378.491	-1.229	1	0	in-vitro	GAAFMN
CO[C@@H](C)[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)[C@H]1O[C@@H](SC)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000006021124	560204436	/nfs/dbraw/zinc/20/44/36/560204436.db2.gz	WVXCVWNSJUNIRQ-KGSIJETNSA-N	0	1	378.491	-1.229	1	0	in-vitro	GAAFMN
CO[C@@H](C)[C@@H](NC(=O)[C@@H]1CCCN1C)[C@H]1O[C@@H](SC)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000006030217	560204410	/nfs/dbraw/zinc/20/44/10/560204410.db2.gz	WVXCVWNSJUNIRQ-GNJVNEQFSA-N	0	1	378.491	-1.229	1	0	in-vitro	GAAFMN
CO[C@@H](C)[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)[C@H]1O[C@@H](SC)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000006030217	560204409	/nfs/dbraw/zinc/20/44/09/560204409.db2.gz	WVXCVWNSJUNIRQ-GNJVNEQFSA-N	0	1	378.491	-1.229	1	0	in-vitro	GAAFMN
CO[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C)[C@H]1O[C@@H](SC)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000006036928	560204681	/nfs/dbraw/zinc/20/46/81/560204681.db2.gz	WVXCVWNSJUNIRQ-NIGIQTOFSA-N	0	1	378.491	-1.229	1	0	in-vitro	GAAFMN
CO[C@H](C)[C@@H](NC(=O)[C@@H]1CCCN1C)[C@H]1O[C@@H](SC)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000006037005	560204807	/nfs/dbraw/zinc/20/48/07/560204807.db2.gz	WVXCVWNSJUNIRQ-AYUZZZIASA-N	0	1	378.491	-1.229	1	0	in-vitro	GAAFMN
NCC(=O)NCC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O	ZINC000013800645	221289831	/nfs/dbraw/zinc/28/98/31/221289831.db2.gz	NRCMFZQPVYGEKN-UHFFFAOYSA-N	0	1	399.838	-2.352	1	0		GAAFMN
NCC(=O)NCC(=O)Nc1nccc(Nc2ccc(S(N)(=O)=O)cc2)n1	ZINC000013800665	207000160	/nfs/dbraw/zinc/00/01/60/207000160.db2.gz	UFGFJKICQJTKHJ-UHFFFAOYSA-N	0	1	379.402	-1.119	1	0		GAAFMN
C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000016035841	210182911	/nfs/dbraw/zinc/18/29/11/210182911.db2.gz	JVTMTFMMMHAPCR-UBHSHLNASA-N	0	1	392.460	-1.106	1	0		GAAFMN
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCC(=O)N1	ZINC000027751591	212157528	/nfs/dbraw/zinc/15/75/28/212157528.db2.gz	HZXIUHDRJSZYDO-AVGNSLFASA-N	0	1	376.417	-1.418	1	0		GAAFMN
NC(=O)[C@@H]1CSCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCC(=O)N1	ZINC000027758805	209243679	/nfs/dbraw/zinc/24/36/79/209243679.db2.gz	OGUDACTYCTVDNZ-SRVKXCTJSA-N	0	1	394.457	-1.508	1	0		GAAFMN
CC1=CC(=O)OC1[C@@]1(C)C[C@H]2OC(=O)[C@H](O)[C@@]3(O)[C@]4(C)OC[C@]23[C@@H]1[C@@H](O)[C@@H]4O	ZINC000033829902	291090409	/nfs/dbraw/zinc/09/04/09/291090409.db2.gz	MPQORNIUTLCOCZ-GCJYRNIXSA-N	0	1	396.392	-1.588	1	0	biogenic,in-vitro	GAAFMN
CC(=CCNc1ncnc2[nH]cnc21)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000035847149	571753250	/nfs/dbraw/zinc/75/32/50/571753250.db2.gz	UUPDCCPAOMDMPT-GIHYWFGSSA-N	0	1	381.389	-1.472	1	0	endogenous,in-man	GAAFMN
C[C@@H](CCNc1ncnc2[nH]cnc21)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000035967558	571753190	/nfs/dbraw/zinc/75/31/90/571753190.db2.gz	QRZHDHJUYBONQQ-JSYMRTRDSA-N	0	1	383.405	-1.393	1	0	endogenous,in-man	GAAFMN
C[C@H](CCNc1ncnc2[nH]cnc21)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000035967561	571753069	/nfs/dbraw/zinc/75/30/69/571753069.db2.gz	QRZHDHJUYBONQQ-URFSYLCQSA-N	0	1	383.405	-1.393	1	0	endogenous,in-man	GAAFMN
O=C(N[C@H]1CCC[N@H+](CCO)CC1)N1CC[C@@H]2[C@H]1C(=O)N2S(=O)(=O)[O-]	ZINC000072112724	222207471	/nfs/dbraw/zinc/20/74/71/222207471.db2.gz	XRYHCBABXWZODP-TUAOUCFPSA-N	0	1	376.435	-1.369	1	0		GAAFMN
COC(=O)CC[NH+](CCn1cnc2c1nc(N)[nH]c2=O)CC[P@@](=O)([O-])O	ZINC000095580015	211278386	/nfs/dbraw/zinc/27/83/86/211278386.db2.gz	OSIWAKYTBPSMMK-UHFFFAOYSA-N	0	1	388.321	-1.255	1	0		GAAFMN
COC(=O)CC[N@@H+](CCn1cnc2c1nc(N)[nH]c2=O)CCP(=O)([O-])O	ZINC000095580015	211278382	/nfs/dbraw/zinc/27/83/82/211278382.db2.gz	OSIWAKYTBPSMMK-UHFFFAOYSA-N	0	1	388.321	-1.255	1	0		GAAFMN
COC(=O)CC[NH+](CCn1cnc2c1nc(N)[nH]c2=O)CC[P@](=O)([O-])O	ZINC000095580015	211278390	/nfs/dbraw/zinc/27/83/90/211278390.db2.gz	OSIWAKYTBPSMMK-UHFFFAOYSA-N	0	1	388.321	-1.255	1	0		GAAFMN
COc1cc(O)c2c(=O)cc(CO[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)oc2c1	ZINC000095914977	291091618	/nfs/dbraw/zinc/09/16/18/291091618.db2.gz	UIKLIOIWCUSJML-LBWNCTQTSA-N	0	1	384.337	-1.176	1	0	biogenic,in-vitro	GAAFMN
CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CCC(=O)N1	ZINC000255998197	209222045	/nfs/dbraw/zinc/22/20/45/209222045.db2.gz	QXIRQEYFDVIBTN-AGIUHOORSA-N	0	1	376.417	-1.547	1	0		GAAFMN
CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@H]1CCC(=O)N1	ZINC000255998198	206285467	/nfs/dbraw/zinc/28/54/67/206285467.db2.gz	QXIRQEYFDVIBTN-UPJWGTAASA-N	0	1	376.417	-1.547	1	0		GAAFMN