smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[C@H](C)c1[nH]nc2c1CN(Cc1ccc3c(c1)OCCN3C)CC2	ZINC000019953903	570907828	/nfs/dbraw/zinc/90/78/28/570907828.db2.gz	MNGRZVKYEPYGMT-HNNXBMFYSA-N	1	1	354.498	3.700	10	10		FHCEMO
CCC[C@H](C)c1n[nH]c2c1C[N@H+](Cc1ccc3c(c1)OCCN3C)CC2	ZINC000019953903	570907832	/nfs/dbraw/zinc/90/78/32/570907832.db2.gz	MNGRZVKYEPYGMT-HNNXBMFYSA-N	1	1	354.498	3.700	10	10		FHCEMO
CCC[C@H](C)c1n[nH]c2c1C[N@@H+](Cc1ccc3c(c1)OCCN3C)CC2	ZINC000019953903	570907834	/nfs/dbraw/zinc/90/78/34/570907834.db2.gz	MNGRZVKYEPYGMT-HNNXBMFYSA-N	1	1	354.498	3.700	10	10		FHCEMO
CCC[C@H](C)c1[nH]nc2c1C[N@H+](Cc1ccc3c(c1)OCCN3C)CC2	ZINC000019953903	570907838	/nfs/dbraw/zinc/90/78/38/570907838.db2.gz	MNGRZVKYEPYGMT-HNNXBMFYSA-N	1	1	354.498	3.700	10	10		FHCEMO
CCC[C@H](C)c1[nH]nc2c1C[N@@H+](Cc1ccc3c(c1)OCCN3C)CC2	ZINC000019953903	570907840	/nfs/dbraw/zinc/90/78/40/570907840.db2.gz	MNGRZVKYEPYGMT-HNNXBMFYSA-N	1	1	354.498	3.700	10	10		FHCEMO
Cc1noc([C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C2CCOCC2)n1	ZINC000328628756	571324980	/nfs/dbraw/zinc/32/49/80/571324980.db2.gz	OBCZYZNKHUIGKW-HXUWFJFHSA-N	1	1	370.497	3.626	10	10		FHCEMO
CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2c(C)cc3c2CCCC3)cc1	ZINC000006877880	204279789	/nfs/dbraw/zinc/27/97/89/204279789.db2.gz	OSCUVUUEEXALBH-NRFANRHFSA-N	1	1	365.521	3.879	10	10		FHCEMO
O=C1CC[C@@H]2C[N@@H+](Cc3ccccc3O)CC[C@@H]2N1Cc1ccc(F)cc1	ZINC000015005073	570828937	/nfs/dbraw/zinc/82/89/37/570828937.db2.gz	ZGHTWHHVPPWJMK-XLIONFOSSA-N	1	1	368.452	3.544	10	10		FHCEMO
CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2c(C)cc3c2CCCC3)cc1	ZINC000006877879	204279892	/nfs/dbraw/zinc/27/98/92/204279892.db2.gz	OSCUVUUEEXALBH-OAQYLSRUSA-N	1	1	365.521	3.879	10	10		FHCEMO
CCC[C@@H](C)c1[nH]nc2c1CN(Cc1ccc3c(c1)OCCN3C)CC2	ZINC000019953898	570907674	/nfs/dbraw/zinc/90/76/74/570907674.db2.gz	MNGRZVKYEPYGMT-OAHLLOKOSA-N	1	1	354.498	3.700	10	10		FHCEMO
CCC[C@@H](C)c1n[nH]c2c1C[N@H+](Cc1ccc3c(c1)OCCN3C)CC2	ZINC000019953898	570907678	/nfs/dbraw/zinc/90/76/78/570907678.db2.gz	MNGRZVKYEPYGMT-OAHLLOKOSA-N	1	1	354.498	3.700	10	10		FHCEMO
CCC[C@@H](C)c1n[nH]c2c1C[N@@H+](Cc1ccc3c(c1)OCCN3C)CC2	ZINC000019953898	570907680	/nfs/dbraw/zinc/90/76/80/570907680.db2.gz	MNGRZVKYEPYGMT-OAHLLOKOSA-N	1	1	354.498	3.700	10	10		FHCEMO
CCC[C@@H](C)c1[nH]nc2c1C[N@H+](Cc1ccc3c(c1)OCCN3C)CC2	ZINC000019953898	570907682	/nfs/dbraw/zinc/90/76/82/570907682.db2.gz	MNGRZVKYEPYGMT-OAHLLOKOSA-N	1	1	354.498	3.700	10	10		FHCEMO
CCC[C@@H](C)c1[nH]nc2c1C[N@@H+](Cc1ccc3c(c1)OCCN3C)CC2	ZINC000019953898	570907685	/nfs/dbraw/zinc/90/76/85/570907685.db2.gz	MNGRZVKYEPYGMT-OAHLLOKOSA-N	1	1	354.498	3.700	10	10		FHCEMO
COc1ccc(N2CCN([C@@H]3CCC[N@@H+](Cc4ccsc4)C3)CC2)cc1	ZINC000023373386	136152699	/nfs/dbraw/zinc/15/26/99/136152699.db2.gz	HAUJTUYNDAMVQO-HXUWFJFHSA-N	1	1	371.550	3.543	10	10		FHCEMO
COc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4ccsc4)C3)CC2)cc1	ZINC000023373386	136152700	/nfs/dbraw/zinc/15/27/00/136152700.db2.gz	HAUJTUYNDAMVQO-HXUWFJFHSA-N	1	1	371.550	3.543	10	10		FHCEMO
COc1ccc(N2CC[NH+](Cc3cnn(-c4ccccc4)c3C)CC2)cc1	ZINC000058523811	136132025	/nfs/dbraw/zinc/13/20/25/136132025.db2.gz	ZDZDDOQABKBUSC-UHFFFAOYSA-N	1	1	362.477	3.512	10	10		FHCEMO
Cc1noc([C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C2CCOCC2)n1	ZINC000328628755	571325029	/nfs/dbraw/zinc/32/50/29/571325029.db2.gz	OBCZYZNKHUIGKW-FQEVSTJZSA-N	1	1	370.497	3.626	10	10		FHCEMO
COc1ccc(N2CCN([C@H]3CCC[N@@H+](Cc4ccsc4)C3)CC2)cc1	ZINC000023373388	136152745	/nfs/dbraw/zinc/15/27/45/136152745.db2.gz	HAUJTUYNDAMVQO-FQEVSTJZSA-N	1	1	371.550	3.543	10	10		FHCEMO
COc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4ccsc4)C3)CC2)cc1	ZINC000023373388	136152746	/nfs/dbraw/zinc/15/27/46/136152746.db2.gz	HAUJTUYNDAMVQO-FQEVSTJZSA-N	1	1	371.550	3.543	10	10		FHCEMO
CCOc1cccc(C[N@@H+]2Cc3cc(OC)ccc3O[C@H](CC)C2)c1O	ZINC000014995301	220140054	/nfs/dbraw/zinc/14/00/54/220140054.db2.gz	NRFRHZQNEHSVLT-QGZVFWFLSA-N	1	1	357.450	3.973	10	10		FHCEMO