smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NCCCC(NC(=O)[C@H]([NH3+])CCC(N)=O)C(=O)[O-]	ZINC000100386388	574417533	/nfs/dbraw/zinc/41/75/33/574417533.db2.gz	UGWWYFWTFFIGAY-ZCFIWIBFSA-N	1	0	302.335	-1.966	1	30	endogenous,in-vitro	DAEFRO
CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CC(=O)N(CC(=O)NO)C1=O	ZINC000073224312	191295997	/nfs/dbraw/zinc/29/59/97/191295997.db2.gz	DYMLQCBWBSQGTP-YUMQZZPRSA-N	1	0	300.315	-1.891	1	30		DAEFRO
C[S+](C)C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000005159458	181211915	/nfs/dbraw/zinc/21/19/15/181211915.db2.gz	DVNIRPKXKMIDQU-WOUKDFQISA-N	1	0	312.375	-1.094	1	30	in-vivo,metabolite	DAEFRO
C[S+](C)C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@@H](O)[C@@H]1O	ZINC000005551890	181255994	/nfs/dbraw/zinc/25/59/94/181255994.db2.gz	DVNIRPKXKMIDQU-QRKAXHLRSA-N	1	0	312.375	-1.094	1	30		DAEFRO
NC(=[NH2+])NCCCC(NC(=O)[C@@H]([NH3+])CCC(N)=O)C(=O)[O-]	ZINC000100386392	574417555	/nfs/dbraw/zinc/41/75/55/574417555.db2.gz	UGWWYFWTFFIGAY-LURJTMIESA-N	1	0	302.335	-1.966	1	30	endogenous,in-vitro	DAEFRO
C#CC[NH2+]C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000095553067	185379403	/nfs/dbraw/zinc/37/94/03/185379403.db2.gz	WYZJLWUBEMXBJJ-QYVSTXNMSA-N	1	0	304.310	-1.750	1	30	in-vitro	DAEFRO
CN(C(=O)C[C@@H]([NH3+])CCCO)[C@H]1CNC(=NC(N)=O)NC1=O	ZINC000026499021	182443896	/nfs/dbraw/zinc/44/38/96/182443896.db2.gz	ONVMPGZIIGWNHY-YUMQZZPRSA-N	1	0	314.346	-2.338	1	30		DAEFRO
C[NH2+]CCN(C)c1nc(N)c(C(=O)N=C(N)N)nc1Cl	ZINC000073141415	191282280	/nfs/dbraw/zinc/28/22/80/191282280.db2.gz	AFDRFWHVOFZFHD-UHFFFAOYSA-N	1	0	300.754	-1.219	1	30		DAEFRO
CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC(=O)N(CC(=O)NO)C1=O	ZINC000073224313	191295621	/nfs/dbraw/zinc/29/56/21/191295621.db2.gz	UFBUNDCWGIMXMK-FWWHASMVSA-N	1	0	300.315	-1.891	1	30		DAEFRO
C/[NH+]=C1\N(C)C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](C)(C(=O)OC)N12	ZINC000061942261	184197189	/nfs/dbraw/zinc/19/71/89/184197189.db2.gz	FXSQFHKICICQGF-CJCJPYSVSA-N	1	0	308.338	-1.236	3	30		DAEFRO
NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)NC(CCC(N)=O)C(=O)[O-]	ZINC000100385905	574417357	/nfs/dbraw/zinc/41/73/57/574417357.db2.gz	BDYOHVHFBYTVSQ-ZCFIWIBFSA-N	1	0	302.335	-1.966	1	30	endogenous,in-vitro	DAEFRO
C[S+](C)C[C@@H]1O[C@@H](n2cnc3c2ncnc3N)[C@@H](O)[C@@H]1O	ZINC000005551900	181256226	/nfs/dbraw/zinc/25/62/26/181256226.db2.gz	DVNIRPKXKMIDQU-UKHPNBTGSA-N	1	0	312.375	-1.094	1	30		DAEFRO
CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CO)C(N)=O	ZINC000013650889	181873879	/nfs/dbraw/zinc/87/38/79/181873879.db2.gz	PYLIRDMIHCSMPW-YUMQZZPRSA-N	1	0	302.335	-3.493	1	30		DAEFRO
C[S+](C)C[C@H]1O[C@H](n2cnc3c2ncnc3N)[C@@H](O)[C@@H]1O	ZINC000017175926	182078642	/nfs/dbraw/zinc/07/86/42/182078642.db2.gz	DVNIRPKXKMIDQU-WJOUQXRDSA-N	1	0	312.375	-1.094	1	30		DAEFRO
NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CS)NC(=O)CS	ZINC000049050285	183706741	/nfs/dbraw/zinc/70/67/41/183706741.db2.gz	DJTRTNUOLIFYSK-YUMQZZPRSA-N	1	0	322.456	-1.570	1	30		DAEFRO
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)NC(CCC(N)=O)C(=O)[O-]	ZINC000100385909	574417329	/nfs/dbraw/zinc/41/73/29/574417329.db2.gz	BDYOHVHFBYTVSQ-LURJTMIESA-N	1	0	302.335	-1.966	1	30	endogenous,in-vitro	DAEFRO
CNC(=O)[C@@H]1OC(C(O)O)=C[C@H](NC(N)=[NH2+])[C@H]1NC(C)=O	ZINC000013802898	181899504	/nfs/dbraw/zinc/89/95/04/181899504.db2.gz	PCSYBTBAKASCBQ-UIISKDMLSA-N	1	0	301.303	-3.528	1	30		DAEFRO
C[S+](C)C[C@@H]1O[C@H](n2cnc3c2ncnc3N)[C@@H](O)[C@@H]1O	ZINC000017175925	182078320	/nfs/dbraw/zinc/07/83/20/182078320.db2.gz	DVNIRPKXKMIDQU-CIPNSKCISA-N	1	0	312.375	-1.094	1	30		DAEFRO
NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)NC(Cc1c[nH]cn1)C(=O)[O-]	ZINC000100385922	574417341	/nfs/dbraw/zinc/41/73/41/574417341.db2.gz	CYNWUBMJQHLSTE-MRVPVSSYSA-N	1	0	311.346	-1.266	1	30	endogenous,in-vitro	DAEFRO
N#Cc1ccc(C([N+]#N)[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1	ZINC000096914497	185391234	/nfs/dbraw/zinc/39/12/34/185391234.db2.gz	GPCHDADVNOSIKF-RGCYKPLRSA-N	1	0	305.290	-1.580	1	30		DAEFRO
NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)CS	ZINC000049015286	183701842	/nfs/dbraw/zinc/70/18/42/183701842.db2.gz	QFBQBKZNYOEEFW-YUMQZZPRSA-N	1	0	306.388	-2.508	1	30		DAEFRO
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)NC(Cc1c[nH]cn1)C(=O)[O-]	ZINC000100385926	574417349	/nfs/dbraw/zinc/41/73/49/574417349.db2.gz	CYNWUBMJQHLSTE-QMMMGPOBSA-N	1	0	311.346	-1.266	1	30	endogenous,in-vitro	DAEFRO