smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[NH+](CCCC)CCC[NH2+]Cc1cccc(OCc2ccc(C)cc2)c1	ZINC000013733916	210086713	/nfs/dbraw/zinc/08/67/13/210086713.db2.gz	XHBJQROWSXFGLK-UHFFFAOYSA-N	2	1	396.619	5.956	10	0		GKAEMP
CCCC[NH+](CCCC)CCC[NH2+]Cc1cccc(OCc2ccccc2)c1	ZINC000013733526	221285166	/nfs/dbraw/zinc/28/51/66/221285166.db2.gz	CKKLMICGLXFALY-UHFFFAOYSA-N	2	1	382.592	5.648	10	0		GKAEMP
CC[NH+](CC)CCC[NH2+]Cc1c(OCc2ccc(C)cc2)ccc2ccccc21	ZINC000013734581	210086230	/nfs/dbraw/zinc/08/62/30/210086230.db2.gz	CYFDZIDWDDQARN-UHFFFAOYSA-N	2	1	390.571	5.549	10	0		GKAEMP
CCCC[NH+](CCCC)CCC[NH2+]Cc1cc(Cl)c(OCC)c(OCC)c1	ZINC000013733693	204510318	/nfs/dbraw/zinc/51/03/18/204510318.db2.gz	WKEJKMPSDOJEKN-UHFFFAOYSA-N	2	1	399.019	5.519	10	0		GKAEMP
CC[N@H+]1CCC[C@@H]1CNc1cc(-c2ccc3ccccc3c2)[nH+]c2ccccc12	ZINC000028640902	212157897	/nfs/dbraw/zinc/15/78/97/212157897.db2.gz	BGOYSVBVQPWARB-JOCHJYFZSA-N	2	1	381.523	5.951	10	0		GKAEMP
CC[N@@H+]1CCC[C@@H]1CNc1cc(-c2ccc3ccccc3c2)[nH+]c2ccccc12	ZINC000028640902	212157894	/nfs/dbraw/zinc/15/78/94/212157894.db2.gz	BGOYSVBVQPWARB-JOCHJYFZSA-N	2	1	381.523	5.951	10	0		GKAEMP
CCCC[NH+](CCCC)CCC[NH2+]Cc1ccccc1OCc1ccc(C)cc1	ZINC000013733895	221285990	/nfs/dbraw/zinc/28/59/90/221285990.db2.gz	OGBXGDHFGCDQOU-UHFFFAOYSA-N	2	1	396.619	5.956	10	0		GKAEMP
CCn1c2ccccc2c2cc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)ccc21	ZINC000010315384	221100136	/nfs/dbraw/zinc/10/01/36/221100136.db2.gz	MJSROBBKFJBIHR-UHFFFAOYSA-N	2	1	397.566	5.569	10	0		GKAEMP
Cc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4cccc5cnccc54)C3)C2)c1	ZINC000011814804	221125650	/nfs/dbraw/zinc/12/56/50/221125650.db2.gz	UETGAAZIQSJFOB-AREMUKBSSA-N	2	1	385.555	5.031	10	0		GKAEMP
Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4cccc5cnccc54)C3)C2)c1	ZINC000011814804	221125653	/nfs/dbraw/zinc/12/56/53/221125653.db2.gz	UETGAAZIQSJFOB-AREMUKBSSA-N	2	1	385.555	5.031	10	0		GKAEMP
Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4cccc5cnccc54)C3)C2)c1	ZINC000011814804	221125657	/nfs/dbraw/zinc/12/56/57/221125657.db2.gz	UETGAAZIQSJFOB-AREMUKBSSA-N	2	1	385.555	5.031	10	0		GKAEMP
Cc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4cccc5cnccc54)C3)C2)c1	ZINC000011814802	221125821	/nfs/dbraw/zinc/12/58/21/221125821.db2.gz	UETGAAZIQSJFOB-SANMLTNESA-N	2	1	385.555	5.031	10	0		GKAEMP
Cc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4cccc5cnccc54)C3)C2)c1	ZINC000011814802	221125822	/nfs/dbraw/zinc/12/58/22/221125822.db2.gz	UETGAAZIQSJFOB-SANMLTNESA-N	2	1	385.555	5.031	10	0		GKAEMP
Cc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4cccc5cnccc54)C3)C2)c1	ZINC000011814802	221125825	/nfs/dbraw/zinc/12/58/25/221125825.db2.gz	UETGAAZIQSJFOB-SANMLTNESA-N	2	1	385.555	5.031	10	0		GKAEMP
CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1c(C)n(Cc2ccccc2Cl)c2ccccc12	ZINC000022936888	570338795	/nfs/dbraw/zinc/33/87/95/570338795.db2.gz	MCGPNSNPADXIBH-HXUWFJFHSA-N	2	1	395.978	5.225	10	0		GKAEMP
CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1c(C)n(Cc2ccccc2Cl)c2ccccc12	ZINC000022936888	570338797	/nfs/dbraw/zinc/33/87/97/570338797.db2.gz	MCGPNSNPADXIBH-HXUWFJFHSA-N	2	1	395.978	5.225	10	0		GKAEMP
c1ccc2cc(-c3cc(NCCC[NH+]4CCCC4)c4ccccc4[nH+]3)ccc2c1	ZINC000028642024	212159007	/nfs/dbraw/zinc/15/90/07/212159007.db2.gz	SXQCKRYETYUZBK-UHFFFAOYSA-N	2	1	381.523	5.953	10	0		GKAEMP
CC[N@@H+]1CCC[C@H]1CNc1cc(-c2ccc3ccccc3c2)[nH+]c2ccccc12	ZINC000028640903	212158718	/nfs/dbraw/zinc/15/87/18/212158718.db2.gz	BGOYSVBVQPWARB-QFIPXVFZSA-N	2	1	381.523	5.951	10	0		GKAEMP
CC[N@H+]1CCC[C@H]1CNc1cc(-c2ccc3ccccc3c2)[nH+]c2ccccc12	ZINC000028640903	212158722	/nfs/dbraw/zinc/15/87/22/212158722.db2.gz	BGOYSVBVQPWARB-QFIPXVFZSA-N	2	1	381.523	5.951	10	0		GKAEMP
CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1c(C)n(Cc2ccccc2Cl)c2ccccc12	ZINC000022936890	204794278	/nfs/dbraw/zinc/79/42/78/204794278.db2.gz	MCGPNSNPADXIBH-FQEVSTJZSA-N	2	1	395.978	5.225	10	0		GKAEMP
CC[N@H+]1CCC[C@H]1C[NH2+]Cc1c(C)n(Cc2ccccc2Cl)c2ccccc12	ZINC000022936890	204794281	/nfs/dbraw/zinc/79/42/81/204794281.db2.gz	MCGPNSNPADXIBH-FQEVSTJZSA-N	2	1	395.978	5.225	10	0		GKAEMP