smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CCC[NH+](CCC[NH+](C)C)CC1=CC[C@H]2C[C@@H]1C2(C)C	ZINC000002489762	431255496	/nfs/dbraw/zinc/25/54/96/431255496.db2.gz	JCGPFEIOWTWNEM-OALUTQOASA-N	3	2	321.553	3.184	1	0		DGAFLP
CC(C)[C@@H](C)[NH2+]C1CCN(c2ccc(-n3cc[nH+]c3)cc2)CC1	ZINC000063857706	535167284	/nfs/dbraw/zinc/16/72/84/535167284.db2.gz	LXSXJLPRLNZGMY-MRXNPFEDSA-N	2	2	312.461	3.475	1	0		DGAFLP
c1ccc2c(c1)cccc2C[NH+]1CCC[NH2+]CCC[NH2+]CCC1	ZINC000073280569	191300154	/nfs/dbraw/zinc/30/01/54/191300154.db2.gz	PZAUBWKRRRGCEB-UHFFFAOYSA-N	3	2	311.473	3.005	1	0		DGAFLP
Cc1ccccc1-c1nc(C[NH2+]CC(C)(C)C[NH+](C)C)co1	ZINC000072182839	191071727	/nfs/dbraw/zinc/07/17/27/191071727.db2.gz	VVVQYBSERSKJTO-UHFFFAOYSA-N	2	2	301.434	3.327	1	0		DGAFLP
Fc1cccc(-c2nc(C[NH2+]CCC[NH+]3CCCC3)co2)c1	ZINC000072186058	191073552	/nfs/dbraw/zinc/07/35/52/191073552.db2.gz	KSMQAIBOAUOIDY-UHFFFAOYSA-N	2	2	303.381	3.056	1	0		DGAFLP
COc1cc[nH+]cc1-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1C[NH2+]C2	ZINC000058538091	184121833	/nfs/dbraw/zinc/12/18/33/184121833.db2.gz	LJIJFOCTKOLRPU-LPMFXHHGSA-N	2	2	310.397	3.134	1	0		DGAFLP
[NH3+][C@H]1Cn2c3ccccc3[nH+]c2C[C@@H]1c1cc(F)c(F)cc1F	ZINC000043011279	183327569	/nfs/dbraw/zinc/32/75/69/183327569.db2.gz	WKQNGABWYPCKJE-YGRLFVJLSA-N	2	2	317.314	3.121	1	0		DGAFLP
Nc1ccc2ccc(CC[NH2+]CCc3ccc(F)cc3)cc2[nH+]1	ZINC000103256846	185441924	/nfs/dbraw/zinc/44/19/24/185441924.db2.gz	DYXOKDDYGCCWSA-UHFFFAOYSA-N	2	2	309.388	3.331	1	0		DGAFLP
C[NH+](C)CC(C)(C)C[NH2+]Cc1coc(-c2cccc(F)c2)n1	ZINC000072183317	191072795	/nfs/dbraw/zinc/07/27/95/191072795.db2.gz	AXRWDSAHUGUSAC-UHFFFAOYSA-N	2	2	305.397	3.158	1	0		DGAFLP
C[N@H+](Cc1coc(-c2cccc(F)c2)n1)C1CC[NH+](C)CC1	ZINC000072182959	191072664	/nfs/dbraw/zinc/07/26/64/191072664.db2.gz	UNLMEYADBRVHMQ-UHFFFAOYSA-N	2	2	303.381	3.007	1	0		DGAFLP
C[N@@H+](Cc1coc(-c2cccc(F)c2)n1)C1CC[NH+](C)CC1	ZINC000072182959	191072666	/nfs/dbraw/zinc/07/26/66/191072666.db2.gz	UNLMEYADBRVHMQ-UHFFFAOYSA-N	2	2	303.381	3.007	1	0		DGAFLP
C[NH+](C)CCOc1ccc(-c2cccc(N)[nH+]2)c2c1CCCC2	ZINC000003948703	181058666	/nfs/dbraw/zinc/05/86/66/181058666.db2.gz	CNRQNFFMXHNVBU-UHFFFAOYSA-N	2	2	311.429	3.150	1	0		DGAFLP
Nc1nc(-n2cc(-c3cccnc3Cl)c3c[nH+]ccc32)cc[nH+]1	ZINC000095604433	185382740	/nfs/dbraw/zinc/38/27/40/185382740.db2.gz	CCCPUPRKQZVNNE-UHFFFAOYSA-N	2	2	322.759	3.113	1	0		DGAFLP
Cc1ccc(-c2nc(C[NH2+]CC(C)(C)C[NH+](C)C)co2)cc1	ZINC000072101950	191036481	/nfs/dbraw/zinc/03/64/81/191036481.db2.gz	LFGHKPIDNRGYJE-UHFFFAOYSA-N	2	2	301.434	3.327	1	0		DGAFLP