smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1nc(N)c2cn([C@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c3ncnc1c23	ZINC000005121105	181206014	/nfs/dbraw/zinc/20/60/14/181206014.db2.gz	HOGVTUZUJGHKPL-DUWABBFASA-N	0	3	320.309	-1.488	1	0		DAAFHN
N=C1NC(=N)[C@@H]2N=CN([C@@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)[C@H]2C(=N)N1	ZINC000058512224	184121002	/nfs/dbraw/zinc/12/10/02/184121002.db2.gz	IBEAYMSZGGCQOU-YUHANNHFSA-N	0	3	311.302	-3.831	1	0		DAAFHN
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)[O-]	ZINC000033977439	571747951	/nfs/dbraw/zinc/74/79/51/571747951.db2.gz	OPINTGHFESTVAX-BQBZGAKWSA-N	0	3	302.335	-2.588	1	0	endogenous,in-vitro	DAAFHN
CSCC[C@H](N)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000050026982	574414935	/nfs/dbraw/zinc/41/49/35/574414935.db2.gz	UASDAHIAHBRZQV-JGVFFNPUSA-N	0	3	305.404	-1.101	1	0	endogenous,in-vitro	DAAFHN
N=C1NC(=N)[C@@H]2N=CN([C@@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)[C@@H]2C(=N)N1	ZINC000195340716	201380587	/nfs/dbraw/zinc/38/05/87/201380587.db2.gz	IBEAYMSZGGCQOU-BYRBNFEVSA-N	0	3	311.302	-3.831	1	0		DAAFHN
C[C@@H](N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O	ZINC000040392939	183060518	/nfs/dbraw/zinc/06/05/18/183060518.db2.gz	DKJFJQMIIRUQNM-VGMNWLOBSA-N	0	3	313.358	-2.569	1	0		DAAFHN
CSCC[C@@H](NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000050026884	571765343	/nfs/dbraw/zinc/76/53/43/571765343.db2.gz	ROWCTNFEMKOIFQ-JGVFFNPUSA-N	0	3	305.404	-1.101	1	0	endogenous,in-vitro	DAAFHN
[NH3+]CCC(=O)OC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1O	ZINC000040935307	183148825	/nfs/dbraw/zinc/14/88/25/183148825.db2.gz	PWGXSCXTWRNQPV-DJLDLDEBSA-N	0	3	317.273	-1.784	1	0		DAAFHN
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)[O-]	ZINC000033977440	571748545	/nfs/dbraw/zinc/74/85/45/571748545.db2.gz	OPINTGHFESTVAX-NKWVEPMBSA-N	0	3	302.335	-2.588	1	0	endogenous,in-vitro	DAAFHN
NC(=[NH2+])NCCC[C@@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)[O-]	ZINC000014855880	571726080	/nfs/dbraw/zinc/72/60/80/571726080.db2.gz	PMGDADKJMCOXHX-RQJHMYQMSA-N	0	3	302.335	-2.588	1	0	endogenous,in-man	DAAFHN
O[C@@H]1[C@@H](O)[C@H]2c3cc4c(cc3CN3CC[C@@](O)([C@H]23)[C@H]1O)OCO4	ZINC000073169475	191287790	/nfs/dbraw/zinc/28/77/90/191287790.db2.gz	OQLSHVLYNQPINY-YUDUXTHKSA-N	0	3	321.329	-1.086	1	0		DAAFHN
Cn1nc(N)c2cn([C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c3ncnc1c23	ZINC000005121104	181205543	/nfs/dbraw/zinc/20/55/43/181205543.db2.gz	HOGVTUZUJGHKPL-FCCZHNFCSA-N	0	3	320.309	-1.488	1	0		DAAFHN
CC(C)C[C@H](NC(=O)[C@@H](N)CCOC[NH3+])C(=O)NCC(=O)[O-]	ZINC000066075770	184387127	/nfs/dbraw/zinc/38/71/27/184387127.db2.gz	KBJKTAVMIXOPJZ-UWVGGRQHSA-N	0	3	318.374	-1.632	1	0		DAAFHN
CSCC[C@@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000050027701	571769157	/nfs/dbraw/zinc/76/91/57/571769157.db2.gz	UASDAHIAHBRZQV-SFYZADRCSA-N	0	3	305.404	-1.101	1	0	endogenous,in-man	DAAFHN
CSCC[C@H](NC(=O)[C@H](N)CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000050027444	574415037	/nfs/dbraw/zinc/41/50/37/574415037.db2.gz	ROWCTNFEMKOIFQ-SFYZADRCSA-N	0	3	305.404	-1.101	1	0	endogenous,in-man	DAAFHN
NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC000050026900	574414904	/nfs/dbraw/zinc/41/49/04/574414904.db2.gz	BNODVYXZAAXSHW-DTWKUNHWSA-N	0	3	311.346	-1.888	1	0	endogenous,in-vitro	DAAFHN
NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000050026900	574414905	/nfs/dbraw/zinc/41/49/05/574414905.db2.gz	BNODVYXZAAXSHW-DTWKUNHWSA-N	0	3	311.346	-1.888	1	0	endogenous,in-vitro	DAAFHN
NC(=[NH2+])NCCC[C@@H](N)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC000050027481	574415034	/nfs/dbraw/zinc/41/50/34/574415034.db2.gz	BNODVYXZAAXSHW-RKDXNWHRSA-N	0	3	311.346	-1.888	1	0	endogenous,in-man	DAAFHN
NC(=[NH2+])NCCC[C@@H](N)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000050027481	574415035	/nfs/dbraw/zinc/41/50/35/574415035.db2.gz	BNODVYXZAAXSHW-RKDXNWHRSA-N	0	3	311.346	-1.888	1	0	endogenous,in-man	DAAFHN
NC(=[NH2+])NCCC[C@@H](N)C(=O)N[C@H](CCC(N)=O)C(=O)[O-]	ZINC000050027472	574415062	/nfs/dbraw/zinc/41/50/62/574415062.db2.gz	PMGDADKJMCOXHX-RNFRBKRXSA-N	0	3	302.335	-2.588	1	0	endogenous,in-vitro	DAAFHN
CC(C)[C@H](N)C(=O)N[C@H](C(=O)[O-])[C@@H]1C[C@H](NC(N)=[NH2+])[C@H]2CN21	ZINC000022863058	182338002	/nfs/dbraw/zinc/33/80/02/182338002.db2.gz	DGIHWRUPUISVIZ-NYWTXZBUSA-N	0	3	312.374	-2.153	1	0	in-vitro	DAAFHN
O=c1ccn([C@@H]2O[C@H](CN3CCCCC3)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000040977201	183154740	/nfs/dbraw/zinc/15/47/40/183154740.db2.gz	PJCAMYRNNJAIMT-OJAKKHQRSA-N	0	3	311.338	-1.358	1	0		DAAFHN
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](N)CCC(N)=O)C(=O)[O-]	ZINC000033977437	571747664	/nfs/dbraw/zinc/74/76/64/571747664.db2.gz	OPINTGHFESTVAX-RQJHMYQMSA-N	0	3	302.335	-2.588	1	0	endogenous,in-man	DAAFHN
NC(=[NH2+])NCCC[C@@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC000050027451	571767595	/nfs/dbraw/zinc/76/75/95/571767595.db2.gz	BNODVYXZAAXSHW-BDAKNGLRSA-N	0	3	311.346	-1.888	1	0	endogenous,in-man	DAAFHN
NC(=[NH2+])NCCC[C@@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000050027451	571767598	/nfs/dbraw/zinc/76/75/98/571767598.db2.gz	BNODVYXZAAXSHW-BDAKNGLRSA-N	0	3	311.346	-1.888	1	0	endogenous,in-man	DAAFHN
CSCC[C@@H](N)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000050027721	574415114	/nfs/dbraw/zinc/41/51/14/574415114.db2.gz	UASDAHIAHBRZQV-HTQZYQBOSA-N	0	3	305.404	-1.101	1	0	endogenous,in-vitro	DAAFHN
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN)C(N)=O	ZINC000058591241	184124300	/nfs/dbraw/zinc/12/43/00/184124300.db2.gz	XNPRAVWGHMYKCS-QWRGUYRKSA-N	0	3	324.385	-1.588	1	0		DAAFHN
CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN)C(N)=O	ZINC000058591241	184124302	/nfs/dbraw/zinc/12/43/02/184124302.db2.gz	XNPRAVWGHMYKCS-QWRGUYRKSA-N	0	3	324.385	-1.588	1	0		DAAFHN
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@H](N)CCC(N)=O)C(=O)[O-]	ZINC000033977438	574414158	/nfs/dbraw/zinc/41/41/58/574414158.db2.gz	OPINTGHFESTVAX-RNFRBKRXSA-N	0	3	302.335	-2.588	1	0	endogenous,in-man	DAAFHN
NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@H](CCC(N)=O)C(=O)[O-]	ZINC000050026879	574414889	/nfs/dbraw/zinc/41/48/89/574414889.db2.gz	PMGDADKJMCOXHX-NKWVEPMBSA-N	0	3	302.335	-2.588	1	0	endogenous,in-vitro	DAAFHN
CSCC[C@@H](NC(=O)[C@H](N)CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000050027476	574415024	/nfs/dbraw/zinc/41/50/24/574415024.db2.gz	ROWCTNFEMKOIFQ-HTQZYQBOSA-N	0	3	305.404	-1.101	1	0	endogenous,in-man	DAAFHN