smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1N[C@@H](C[NH+]2CCC(O)CC2)C(=O)N[C@H]1C[NH+]1CCC(O)CC1	ZINC000001561451	374237198	/nfs/dbraw/zinc/23/71/98/374237198.db2.gz	YVWMOTCTCRWWFR-KBPBESRZSA-N	2	0	340.424	-2.117	40	0		EAABRP
O=C1N[C@@H](C[NH+]2CCC(O)CC2)C(=O)N[C@@H]1C[NH+]1CCC(O)CC1	ZINC000001561452	374237731	/nfs/dbraw/zinc/23/77/31/374237731.db2.gz	YVWMOTCTCRWWFR-OKILXGFUSA-N	2	0	340.424	-2.117	40	0		EAABRP
O=C1N[C@H](C[NH+]2CCC(O)CC2)C(=O)N[C@@H]1C[NH+]1CCC(O)CC1	ZINC000001561454	374237826	/nfs/dbraw/zinc/23/78/26/374237826.db2.gz	YVWMOTCTCRWWFR-ZIAGYGMSSA-N	2	0	340.424	-2.117	40	0		EAABRP
COCCC[NH2+]CC(=O)N1CCN(C(=O)C[NH2+]CCCOC)CC1	ZINC000004946098	210336296	/nfs/dbraw/zinc/33/62/96/210336296.db2.gz	VUCJSOWFGUCFCN-UHFFFAOYSA-N	2	0	344.456	-1.091	40	0		EAABRP
O=C1N[C@H](C[N@H+]2CCC[C@H](O)C2)C(=O)N[C@@H]1C[NH+]1CCC[C@H](O)C1	ZINC000005385087	374243153	/nfs/dbraw/zinc/24/31/53/374243153.db2.gz	DSJUHUOKWQTIBM-IGQOVBAYSA-N	2	0	340.424	-2.117	40	0		EAABRP
O=C1N[C@H](C[N@H+]2CCC[C@H](O)C2)C(=O)N[C@@H]1C[NH+]1CCC[C@@H](O)C1	ZINC000005385088	374242816	/nfs/dbraw/zinc/24/28/16/374242816.db2.gz	DSJUHUOKWQTIBM-XJFOESAGSA-N	2	0	340.424	-2.117	40	0		EAABRP
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000005706877	303219824	/nfs/dbraw/zinc/21/98/24/303219824.db2.gz	OMLWNBVRVJYMBQ-YUMQZZPRSA-N	2	0	330.393	-2.590	40	0	endogenous,in-man	EAABRP
CN[C@@H]1[C@H](O)[C@H]([NH2+]C)[C@@H](O)[C@@H]2O[C@@H]3O[C@@H](C)CC(=O)[C@@]3(O)O[C@@H]12	ZINC000013783409	374262041	/nfs/dbraw/zinc/26/20/41/374262041.db2.gz	UNFWWIHTNXNPBV-PYTMSMFESA-N	2	0	332.353	-2.926	40	0		EAABRP
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000015721844	374258287	/nfs/dbraw/zinc/25/82/87/374258287.db2.gz	KQFIWXHYCHBRJW-YUMQZZPRSA-N	3	0	329.409	-3.190	40	0		EAABRP
CN(CC[NH+](C)C)[C@H]1[C@@H](C[NH2+]C2CCN(C)CC2)O[C@@H](CO)[C@H]1O	ZINC000020464983	289133871	/nfs/dbraw/zinc/13/38/71/289133871.db2.gz	VUPMZKWMEPHFME-LTIDMASMSA-N	2	0	344.500	-1.347	40	0	biogenic,in-vitro	EAABRP
CN(CC[NH+](C)C)[C@H]1[C@@H](C[NH2+]C2CCOCC2)O[C@@H](CO)[C@H]1O	ZINC000020464986	289133933	/nfs/dbraw/zinc/13/39/33/289133933.db2.gz	VUBUZIHLNKASCK-FXUDXRNXSA-N	2	0	331.457	-1.262	40	0	biogenic,in-vitro	EAABRP
C1C[NH2+]CCOCC[NH2+]CCNCC[NH2+]CCOCC[NH2+]CCN1	ZINC000022927754	414828828	/nfs/dbraw/zinc/82/88/28/414828828.db2.gz	FZKLASLLXQWAPO-UHFFFAOYSA-N	4	0	346.520	-2.429	40	0		EAABRP
NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+]	ZINC000071788362	563965792	/nfs/dbraw/zinc/96/57/92/563965792.db2.gz	DIBAKBGYJUCGDL-QWRGUYRKSA-N	2	0	339.400	-2.505	40	0		EAABRP
O=C(NC[C@H]1OC[C@@H](NC2CC[NH2+]CC2)[C@@H]1O)N1CCOCC1	ZINC000077264982	374824598	/nfs/dbraw/zinc/82/45/98/374824598.db2.gz	BGMFVILERHFGBW-MCIONIFRSA-N	2	0	328.413	-1.502	40	0	biogenic,in-vitro	EAABRP