smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)CCC[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	ZINC000013734646	558587998	/nfs/dbraw/zinc/58/79/98/558587998.db2.gz	AVLLZBJTVDAEBH-UHFFFAOYSA-N	1	3	418.412	5.818	10	0		HKAEHO
Cc1c(CNCCC[NH+](C)C)c2ccccc2n1Cc1ccc(Cl)cc1Cl	ZINC000020477803	558374498	/nfs/dbraw/zinc/37/44/98/558374498.db2.gz	PZAKAEPCQIDFIJ-UHFFFAOYSA-N	1	3	404.385	5.346	10	0		HKAEHO
CC[N@@H+]1CCC[C@@H]1CNCc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	ZINC000022936877	558527017	/nfs/dbraw/zinc/52/70/17/558527017.db2.gz	MQJLOWXSCKXKNZ-HXUWFJFHSA-N	1	3	416.396	5.570	10	0		HKAEHO
CC[N@H+]1CCC[C@@H]1CNCc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	ZINC000022936877	558527020	/nfs/dbraw/zinc/52/70/20/558527020.db2.gz	MQJLOWXSCKXKNZ-HXUWFJFHSA-N	1	3	416.396	5.570	10	0		HKAEHO
CC[N@@H+]1CCC[C@H]1CNCc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	ZINC000022936880	558527061	/nfs/dbraw/zinc/52/70/61/558527061.db2.gz	MQJLOWXSCKXKNZ-FQEVSTJZSA-N	1	3	416.396	5.570	10	0		HKAEHO
CC[N@H+]1CCC[C@H]1CNCc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	ZINC000022936880	558527063	/nfs/dbraw/zinc/52/70/63/558527063.db2.gz	MQJLOWXSCKXKNZ-FQEVSTJZSA-N	1	3	416.396	5.570	10	0		HKAEHO
Cc1cccc(CN2C[C@H](C[NH+]3CCCCC3)[C@H](c3cccc(C(F)(F)F)c3)C2)c1	ZINC000034723349	557426004	/nfs/dbraw/zinc/42/60/04/557426004.db2.gz	YGROLECMJXJYJV-UPVQGACJSA-N	1	3	416.531	5.715	10	0		HKAEHO
Cc1cccc(C[N@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)[C@@H](CN3CCCCC3)C2)c1	ZINC000034723349	557426006	/nfs/dbraw/zinc/42/60/06/557426006.db2.gz	YGROLECMJXJYJV-UPVQGACJSA-N	1	3	416.531	5.715	10	0		HKAEHO
Cc1cccc(C[N@@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)[C@@H](CN3CCCCC3)C2)c1	ZINC000034723349	557426008	/nfs/dbraw/zinc/42/60/08/557426008.db2.gz	YGROLECMJXJYJV-UPVQGACJSA-N	1	3	416.531	5.715	10	0		HKAEHO
Cc1cccc(CN2C[C@@H](c3cccc(C(F)(F)F)c3)[C@H](C[NH+]3CCCCC3)C2)c1	ZINC000034723350	557425970	/nfs/dbraw/zinc/42/59/70/557425970.db2.gz	YGROLECMJXJYJV-VWNXMTODSA-N	1	3	416.531	5.715	10	0		HKAEHO
Cc1cccc(C[N@@H+]2C[C@@H](CN3CCCCC3)[C@H](c3cccc(C(F)(F)F)c3)C2)c1	ZINC000034723350	557425971	/nfs/dbraw/zinc/42/59/71/557425971.db2.gz	YGROLECMJXJYJV-VWNXMTODSA-N	1	3	416.531	5.715	10	0		HKAEHO
Cc1cccc(C[N@H+]2C[C@@H](CN3CCCCC3)[C@H](c3cccc(C(F)(F)F)c3)C2)c1	ZINC000034723350	557425973	/nfs/dbraw/zinc/42/59/73/557425973.db2.gz	YGROLECMJXJYJV-VWNXMTODSA-N	1	3	416.531	5.715	10	0		HKAEHO
c1ccc(C(c2ccccc2)(c2ccccc2)N2CCN(c3cc[nH+]cc3)CC2)cc1	ZINC000095635067	559087752	/nfs/dbraw/zinc/08/77/52/559087752.db2.gz	QJAGUTKAAAHJHF-UHFFFAOYSA-N	1	3	405.545	5.196	10	0		HKAEHO
Cc1cccc(CN2C[C@@H](C[NH+]3CCCCC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)c1	ZINC000105047226	560860630	/nfs/dbraw/zinc/86/06/30/560860630.db2.gz	YGROLECMJXJYJV-ISKFKSNPSA-N	1	3	416.531	5.715	10	0		HKAEHO
Cc1cccc(C[N@@H+]2C[C@@H](CN3CCCCC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)c1	ZINC000105047226	560860632	/nfs/dbraw/zinc/86/06/32/560860632.db2.gz	YGROLECMJXJYJV-ISKFKSNPSA-N	1	3	416.531	5.715	10	0		HKAEHO
Cc1cccc(C[N@H+]2C[C@@H](CN3CCCCC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)c1	ZINC000105047226	560860633	/nfs/dbraw/zinc/86/06/33/560860633.db2.gz	YGROLECMJXJYJV-ISKFKSNPSA-N	1	3	416.531	5.715	10	0		HKAEHO
Cc1cccc(CN2C[C@H](C[NH+]3CCCCC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)c1	ZINC000169679898	569127026	/nfs/dbraw/zinc/12/70/26/569127026.db2.gz	YGROLECMJXJYJV-LADGPHEKSA-N	1	3	416.531	5.715	10	0		HKAEHO
Cc1cccc(C[N@@H+]2C[C@H](CN3CCCCC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)c1	ZINC000169679898	569127027	/nfs/dbraw/zinc/12/70/27/569127027.db2.gz	YGROLECMJXJYJV-LADGPHEKSA-N	1	3	416.531	5.715	10	0		HKAEHO
Cc1cccc(C[N@H+]2C[C@H](CN3CCCCC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)c1	ZINC000169679898	569127028	/nfs/dbraw/zinc/12/70/28/569127028.db2.gz	YGROLECMJXJYJV-LADGPHEKSA-N	1	3	416.531	5.715	10	0		HKAEHO