smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)[C@H](CCCC[NH3+])NC(=O)CCNC(=O)[C@@H](N)C[NH3+]	ZINC000095580665	185381140	/nfs/dbraw/zinc/38/11/40/185381140.db2.gz	CDCBXNRGYNGHAT-IUCAKERBSA-N	2	0	302.379	-3.122	1	0		DAAFRP
CC(=O)N[C@@H](CCCC[NH3+])C(=O)NCCCCNC(N)=[NH2+]	ZINC000095586440	185381618	/nfs/dbraw/zinc/38/16/18/185381618.db2.gz	DMOXDPYOYBVYRJ-NSHDSACASA-N	2	0	300.407	-1.000	1	0		DAAFRP
[NH3+]C[C@H]1O[C@H](O[C@H]2CC[NH2+][C@@H](CO)C[C@@H]2[NH3+])[C@H]([NH3+])[C@@H](O)[C@@H]1O	ZINC000027848566	182493414	/nfs/dbraw/zinc/49/34/14/182493414.db2.gz	YBLQZBFUJDKESF-GFULLKHYSA-N	4	0	320.390	-3.824	1	0		DAAFRP
[NH3+]C[C@H]1O[C@@H](OC2[C@@H](O)[C@H]([NH3+])C[C@H]([NH3+])[C@@H]2O)[C@@H]([NH3+])[C@@H](O)[C@@H]1O	ZINC000028009995	182504556	/nfs/dbraw/zinc/50/45/56/182504556.db2.gz	ZYIPIEMXJZJLOV-VJQYFMGSSA-N	4	0	322.362	-5.116	1	0		DAAFRP
N=C1NC(=[NH2+])NC(=N)[C@H]2[C@H]1N=CN2[C@@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	ZINC000058512224	184120999	/nfs/dbraw/zinc/12/09/99/184120999.db2.gz	IBEAYMSZGGCQOU-YUHANNHFSA-N	2	0	311.302	-3.831	1	0		DAAFRP
Nc1nc(N2C[C@H]([NH3+])C[C@H]([NH3+])C2)nc(N2C[C@H]([NH3+])C[C@H]([NH3+])C2)n1	ZINC000028604393	134671017	/nfs/dbraw/zinc/67/10/17/134671017.db2.gz	HVXPCZIZFCCNSV-YNFQOJQRSA-N	4	0	322.421	-2.817	1	0		DAAFRP
NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)NCCCC[C@@H]([NH3+])C(=O)[O-]	ZINC000033996048	574414154	/nfs/dbraw/zinc/41/41/54/574414154.db2.gz	HOGMECWNPMOJQW-RKDXNWHRSA-N	2	0	302.379	-1.725	1	0	endogenous,in-vitro	DAAFRP
N[C@@H]1[C@H]([NH3+])[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H]([NH3+])C[C@@H]1[NH3+]	ZINC000040753417	183129901	/nfs/dbraw/zinc/12/99/01/183129901.db2.gz	VMBBMTCFBYOAFD-JCLMPDJQSA-N	3	0	322.362	-5.116	1	0		DAAFRP
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@H](Cc1c[nH]cn1)C(N)=O	ZINC000096917173	185391509	/nfs/dbraw/zinc/39/15/09/185391509.db2.gz	VORFWIJIZLIOII-DTWKUNHWSA-N	2	0	310.362	-2.487	1	0		DAAFRP
[NH2+]=C1N[C@@H]2[C@@H](COC(=O)NO)NC(=[NH2+])N3CCC(O)(O)[C@@]23N1	ZINC000085847761	560066522	/nfs/dbraw/zinc/06/65/22/560066522.db2.gz	AGUPJSLCNZPQMF-FJNYAOGASA-N	2	0	315.290	-3.413	1	0	endogenous,in-man	DAAFRP
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)NCCCC[C@@H]([NH3+])C(=O)[O-]	ZINC000033996049	574414163	/nfs/dbraw/zinc/41/41/63/574414163.db2.gz	HOGMECWNPMOJQW-DTWKUNHWSA-N	2	0	302.379	-1.725	1	0	endogenous,in-vitro	DAAFRP
NC(=O)[C@H](CCCC[NH3+])NC(=O)CCNC(=O)[C@H](N)C[NH3+]	ZINC000095580664	185381062	/nfs/dbraw/zinc/38/10/62/185381062.db2.gz	CDCBXNRGYNGHAT-BDAKNGLRSA-N	2	0	302.379	-3.122	1	0		DAAFRP
NOC[C@H](C[NH3+])OC(=O)CCCNc1nc(N)[nH+]c(N)n1	ZINC000058506602	184120919	/nfs/dbraw/zinc/12/09/19/184120919.db2.gz	MMRAMOSQOXCMJP-LURJTMIESA-N	2	0	300.323	-2.011	1	0		DAAFRP
NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000005706881	181274667	/nfs/dbraw/zinc/27/46/67/181274667.db2.gz	JQFZHHSQMKZLRU-BDAKNGLRSA-N	2	0	302.379	-1.725	1	0	endogenous,in-man	DAAFRP
[NH3+]CCC[NH2+]CCCC[NH2+]CCCNC(=O)[C@@H]([NH3+])CCC[NH3+]	ZINC000013864557	181907899	/nfs/dbraw/zinc/90/78/99/181907899.db2.gz	PVRMDFNIYZXFIU-AWEZNQCLSA-N	5	0	316.494	-1.133	1	0		DAAFRP
C1C[NH+]=C(N2CCN(N3CCN(C4=[NH+]CCN4)CC3)CC2)N1	ZINC000058548748	184122069	/nfs/dbraw/zinc/12/20/69/184122069.db2.gz	KIJHWCXCGKZSRM-UHFFFAOYSA-N	2	0	306.418	-1.945	1	0		DAAFRP
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@H](CCCC[NH3+])C(=O)[O-]	ZINC000005706882	181274751	/nfs/dbraw/zinc/27/47/51/181274751.db2.gz	JQFZHHSQMKZLRU-DTWKUNHWSA-N	2	0	302.379	-1.725	1	0	endogenous,in-vitro	DAAFRP
[NH3+]C[C@@H]1O[C@@H](OC2[C@@H](O)[C@H]([NH3+])C[C@H]([NH3+])[C@@H]2O)[C@@H]([NH3+])[C@@H](O)[C@@H]1O	ZINC000028009989	182504572	/nfs/dbraw/zinc/50/45/72/182504572.db2.gz	ZYIPIEMXJZJLOV-WTMNFQDGSA-N	4	0	322.362	-5.116	1	0		DAAFRP
[NH2+]=C1N[C@H]2[C@H](COC(=O)NO)NC(=[NH2+])N3CCC(O)(O)[C@]23N1	ZINC000014691903	560100892	/nfs/dbraw/zinc/10/08/92/560100892.db2.gz	AGUPJSLCNZPQMF-HGRQIUPRSA-N	2	0	315.290	-3.413	1	0	endogenous,in-man	DAAFRP
NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)NCCCC[C@H]([NH3+])C(=O)[O-]	ZINC000033996046	574414147	/nfs/dbraw/zinc/41/41/47/574414147.db2.gz	HOGMECWNPMOJQW-BDAKNGLRSA-N	2	0	302.379	-1.725	1	0	endogenous,in-vitro	DAAFRP
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)NCCCC[C@H]([NH3+])C(=O)[O-]	ZINC000033996047	574414170	/nfs/dbraw/zinc/41/41/70/574414170.db2.gz	HOGMECWNPMOJQW-IUCAKERBSA-N	2	0	302.379	-1.725	1	0	endogenous,in-vitro	DAAFRP