smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CCCC[C@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000004556777	557567846	/nfs/dbraw/zinc/56/78/46/557567846.db2.gz	WBSCNDJQPKSPII-KKUMJFAQSA-N	3	0	402.540	-1.245	50	0		HAAARP
[NH3+]CCCC[C@@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000004556779	557567867	/nfs/dbraw/zinc/56/78/67/557567867.db2.gz	WBSCNDJQPKSPII-ZNMIVQPWSA-N	3	0	402.540	-1.245	50	0		HAAARP
C[C@@H]([NH3+])C(=O)N1CCOCCOCCN(C(=O)[C@H](C)[NH3+])CCOCCOCC1	ZINC000004661805	558874697	/nfs/dbraw/zinc/87/46/97/558874697.db2.gz	IILZRNRJZPPHNX-IYBDPMFKSA-N	2	0	404.508	-1.582	50	0		HAAARP
C[C@@H]([NH3+])C(=O)N1CCOCCOCCN(C(=O)[C@@H](C)[NH3+])CCOCCOCC1	ZINC000004661806	558874733	/nfs/dbraw/zinc/87/47/33/558874733.db2.gz	IILZRNRJZPPHNX-HZPDHXFCSA-N	2	0	404.508	-1.582	50	0		HAAARP
C[C@H]([NH3+])C(=O)N1CCOCCOCCN(C(=O)[C@H](C)[NH3+])CCOCCOCC1	ZINC000004661807	558874667	/nfs/dbraw/zinc/87/46/67/558874667.db2.gz	IILZRNRJZPPHNX-HOTGVXAUSA-N	2	0	404.508	-1.582	50	0		HAAARP
[NH3+]CCC(=O)N1CCOCCOCCN(C(=O)CC[NH3+])CCOCCOCC1	ZINC000004661809	558874638	/nfs/dbraw/zinc/87/46/38/558874638.db2.gz	CEQXOLBBFRYJIA-UHFFFAOYSA-N	2	0	404.508	-1.579	50	0		HAAARP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCC[C@H]1C(N)=O	ZINC000015721908	558749944	/nfs/dbraw/zinc/74/99/44/558749944.db2.gz	SCCTZYGEMPQRCV-AVGNSLFASA-N	2	0	424.506	-2.840	50	0		HAAARP
[NH3+]CCCC[C@@H](NC(=O)[C@@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-]	ZINC000104850389	559161754	/nfs/dbraw/zinc/16/17/54/559161754.db2.gz	WBSCNDJQPKSPII-RRFJBIMHSA-N	3	0	402.540	-1.245	50	0		HAAARP
[NH3+]CCCC[C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-]	ZINC000247755748	568745593	/nfs/dbraw/zinc/74/55/93/568745593.db2.gz	WBSCNDJQPKSPII-SOUVJXGZSA-N	3	0	402.540	-1.245	50	0		HAAARP