smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@@H+](C[C@@H](O)C[NH3+])C[C@@H](O)CN1CCOCC1	ZINC000002924334	368369008	/nfs/dbraw/zinc/36/90/08/368369008.db2.gz	AYVAORLANJRFAB-WDEREUQCSA-N	2	1	247.339	-2.069	50	0		BAAAMP
C[N@H+](C[C@@H](O)C[NH3+])C[C@@H](O)CN1CCOCC1	ZINC000002924334	368369006	/nfs/dbraw/zinc/36/90/06/368369006.db2.gz	AYVAORLANJRFAB-WDEREUQCSA-N	2	1	247.339	-2.069	50	0		BAAAMP
C[N@@H+](C[C@H](O)C[NH3+])C[C@H](O)CN1CCOCC1	ZINC000004955833	323171913	/nfs/dbraw/zinc/17/19/13/323171913.db2.gz	AYVAORLANJRFAB-MNOVXSKESA-N	2	1	247.339	-2.069	50	0		BAAAMP
C[N@H+](C[C@H](O)C[NH3+])C[C@H](O)CN1CCOCC1	ZINC000004955833	323171912	/nfs/dbraw/zinc/17/19/12/323171912.db2.gz	AYVAORLANJRFAB-MNOVXSKESA-N	2	1	247.339	-2.069	50	0		BAAAMP
C[N@H+](C[C@H](O)CN1CCOCC1)C[C@@H](O)C[NH3+]	ZINC000004955834	323171926	/nfs/dbraw/zinc/17/19/26/323171926.db2.gz	AYVAORLANJRFAB-QWRGUYRKSA-N	2	1	247.339	-2.069	50	0		BAAAMP
C[N@@H+](C[C@H](O)CN1CCOCC1)C[C@@H](O)C[NH3+]	ZINC000004955834	323171925	/nfs/dbraw/zinc/17/19/25/323171925.db2.gz	AYVAORLANJRFAB-QWRGUYRKSA-N	2	1	247.339	-2.069	50	0		BAAAMP
[NH3+][C@@H]1[C@H]2CO[C@H](O2)[C@H]([NH+]2CCCC2)[C@H]1O	ZINC000012529654	370895643	/nfs/dbraw/zinc/89/56/43/370895643.db2.gz	KKSIQJPREBBKBQ-GRDBIXFFSA-N	2	1	214.265	-1.106	50	0	biogenic,in-vitro	BAAAMP
[NH3+]CCC(=O)N1CC[NH+](CCO)CC1	ZINC000015440565	181366321	/nfs/dbraw/zinc/36/63/21/181366321.db2.gz	VZIIPQQCIXAHSF-UHFFFAOYSA-N	2	1	201.270	-1.528	50	0		BAAAMP
C[NH+]1CCN([C@H]2[C@@H](C[NH3+])O[C@@H](CO)[C@H]2O)CC1	ZINC000020465104	173095738	/nfs/dbraw/zinc/09/57/38/173095738.db2.gz	JCTABYWKEGVLOS-VPOLOUISSA-N	2	1	245.323	-2.318	50	0	biogenic,in-vitro	BAAAMP
[NH3+]C[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCCCC1	ZINC000020465678	388771037	/nfs/dbraw/zinc/77/10/37/388771037.db2.gz	YUBAUVUZFJCRRH-VPOLOUISSA-N	2	1	230.308	-1.080	50	0	biogenic,in-vitro	BAAAMP
O=C1CC[NH2+]CCNCCC[NH2+]CCN1	ZINC000022026428	182744018	/nfs/dbraw/zinc/74/40/18/182744018.db2.gz	HHCPAKJHIFSCSD-UHFFFAOYSA-N	2	1	214.313	-1.335	50	0		BAAAMP
C[N@@H+](C[C@H](O)C[NH3+])C[C@@H](O)CN1CCOCC1	ZINC000022205855	368373485	/nfs/dbraw/zinc/37/34/85/368373485.db2.gz	AYVAORLANJRFAB-GHMZBOCLSA-N	2	1	247.339	-2.069	50	0		BAAAMP
C[N@H+](C[C@H](O)C[NH3+])C[C@@H](O)CN1CCOCC1	ZINC000022205855	368373481	/nfs/dbraw/zinc/37/34/81/368373481.db2.gz	AYVAORLANJRFAB-GHMZBOCLSA-N	2	1	247.339	-2.069	50	0		BAAAMP
[NH3+]CC[NH2+]CCN1CCN(CC[NH3+])CC1	ZINC000022590370	181397807	/nfs/dbraw/zinc/39/78/07/181397807.db2.gz	CXNQJNPKMZRHBC-UHFFFAOYSA-N	3	1	215.345	-1.889	50	0		BAAAMP
C[NH+]1CCN([C@H]2[C@@H]3OC[C@@H](O3)[C@@H]([NH3+])[C@@H]2O)CC1	ZINC000022922167	173094574	/nfs/dbraw/zinc/09/45/74/173094574.db2.gz	CBFYXAUILYZCGN-MVCUBJFGSA-N	2	1	243.307	-1.954	50	0	biogenic,in-vitro	BAAAMP
CC12CN3CC(C[N@@H+](C1)CC3)[C@@]2(O)C[NH3+]	ZINC000022924039	168074449	/nfs/dbraw/zinc/07/44/49/168074449.db2.gz	BZTXIQKCGCYABD-ILDUYXDCSA-N	2	1	211.309	-1.057	50	0		BAAAMP
C[NH+]1CCN(C(=O)CN2CC[NH2+]CC2)CC1	ZINC000022933404	173067344	/nfs/dbraw/zinc/06/73/44/173067344.db2.gz	YKBNLKDKAFTDRN-UHFFFAOYSA-N	2	1	226.324	-1.334	50	0		BAAAMP
C[N@H+]1CCCN(S(=O)(=O)CC[NH3+])CC1	ZINC000034979053	173018196	/nfs/dbraw/zinc/01/81/96/173018196.db2.gz	SULOEHCRSPOGNS-UHFFFAOYSA-N	2	1	221.326	-1.088	50	0		BAAAMP
C[N@@H+]1CCCN(S(=O)(=O)CC[NH3+])CC1	ZINC000034979053	173018194	/nfs/dbraw/zinc/01/81/94/173018194.db2.gz	SULOEHCRSPOGNS-UHFFFAOYSA-N	2	1	221.326	-1.088	50	0		BAAAMP
C[NH2+]CC(=O)N1CC[NH+](CCO)CC1	ZINC000035609633	173327076	/nfs/dbraw/zinc/32/70/76/173327076.db2.gz	UDKHGMOOZZGKDM-UHFFFAOYSA-N	2	1	201.270	-1.658	50	0		BAAAMP
CC12CN3CC(C[N@@H+](C1)CC3)[C@]2(O)C[NH3+]	ZINC000036056723	168073796	/nfs/dbraw/zinc/07/37/96/168073796.db2.gz	BZTXIQKCGCYABD-VQXHTEKXSA-N	2	1	211.309	-1.057	50	0		BAAAMP
C[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CCOC2)CC1	ZINC000072344462	173068461	/nfs/dbraw/zinc/06/84/61/173068461.db2.gz	DBNCUASLYXOQGY-SNVBAGLBSA-N	2	1	227.308	-1.004	50	0		BAAAMP
C[NH+]1CCN(C(=O)[C@H]2C[NH2+]CCOC2)CC1	ZINC000072344463	173072056	/nfs/dbraw/zinc/07/20/56/173072056.db2.gz	DBNCUASLYXOQGY-JTQLQIEISA-N	2	1	227.308	-1.004	50	0		BAAAMP
COC(=O)C12C[NH2+]CC1(C(=O)OC)C[NH2+]C2	ZINC000084248216	344381890	/nfs/dbraw/zinc/38/18/90/344381890.db2.gz	IBASVGRZCRYTCB-UHFFFAOYSA-N	2	1	228.248	-1.488	50	0		BAAAMP