smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
OCC[NH+]1CCOCCOCC[NH+](CCO)CCOCCOCC1	ZINC000003895812	483085406	/nfs/dbraw/zinc/08/54/06/483085406.db2.gz	BLLWTTRFRPIAAV-UHFFFAOYSA-N	2	1	350.456	-1.345	50	0		FAAAMP
C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(C(=O)C(N)=O)CC3)C2)CC1	ZINC000071440514	571161877	/nfs/dbraw/zinc/16/18/77/571161877.db2.gz	OACXSKQOQIZUNC-CQSZACIVSA-N	2	1	365.478	-1.051	50	0		FAAAMP
C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(C(=O)C(N)=O)CC3)C2)CC1	ZINC000071440514	571161876	/nfs/dbraw/zinc/16/18/76/571161876.db2.gz	OACXSKQOQIZUNC-CQSZACIVSA-N	2	1	365.478	-1.051	50	0		FAAAMP
C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](C3CCN(C(=O)C(N)=O)CC3)C2)CC1	ZINC000071440518	571161840	/nfs/dbraw/zinc/16/18/40/571161840.db2.gz	OACXSKQOQIZUNC-AWEZNQCLSA-N	2	1	365.478	-1.051	50	0		FAAAMP
C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(C(=O)C(N)=O)CC3)C2)CC1	ZINC000071440518	571161839	/nfs/dbraw/zinc/16/18/39/571161839.db2.gz	OACXSKQOQIZUNC-AWEZNQCLSA-N	2	1	365.478	-1.051	50	0		FAAAMP
COCC[N@@H+](C)CCN1CC2(CCN(C(=O)[C@@H]([NH3+])CO)CC2)OC1=O	ZINC000077392868	571209874	/nfs/dbraw/zinc/20/98/74/571209874.db2.gz	DXOCVSCATNIETP-ZDUSSCGKSA-N	2	1	358.439	-1.302	50	0		FAAAMP
O=S1(=O)C[C@@H]2NCCN(c3cc[nH+]c(N4C[C@H]5C[NH2+]C[C@H]5C4)n3)[C@@H]2C1	ZINC000077406120	132184156	/nfs/dbraw/zinc/18/41/56/132184156.db2.gz	YVFLSCYFXVFOBL-RFQIPJPRSA-N	2	1	364.475	-1.293	50	0		FAAAMP
[NH3+]C1CCN(c2nc(N3CCN[C@H]4CS(=O)(=O)C[C@H]43)cc[nH+]2)CC1	ZINC000077503748	132187368	/nfs/dbraw/zinc/18/73/68/132187368.db2.gz	NOAIUZGQDGIDOD-QWHCGFSZSA-N	2	1	352.464	-1.021	50	0		FAAAMP
COC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[NH3+]	ZINC000098043345	222222626	/nfs/dbraw/zinc/22/26/26/222222626.db2.gz	OZEDDYCMXKRUEJ-RYUDHWBXSA-N	2	1	354.411	-1.818	50	0		FAAAMP
Nc1nc(NCCO)cc(-c2cccc(C(=O)N[C@@H]3CC[NH2+]C[C@H]3O)c2)[nH+]1	ZINC000584892490	483781320	/nfs/dbraw/zinc/78/13/20/483781320.db2.gz	YWSFVVPOBKMAID-UKRRQHHQSA-N	2	1	372.429	-0.996	50	0		FAAAMP