smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1[C@@H](Cl)[C@@H]1C[N@@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1	ZINC001575870011	949481646	/nfs/dbraw/zinc/48/16/46/949481646.db2.gz	TUYZKVSECZVWCQ-JGGQBBKZSA-N	0	3	346.866	2.252	20	50		EEGDHN
C[C@@H]1[C@@H](Cl)[C@@H]1C[N@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1	ZINC001575870011	949481655	/nfs/dbraw/zinc/48/16/55/949481655.db2.gz	TUYZKVSECZVWCQ-JGGQBBKZSA-N	0	3	346.866	2.252	20	50		EEGDHN
C[C@@H]1[C@@H](Cl)[C@@H]1C[N@@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1	ZINC001575870011	949481663	/nfs/dbraw/zinc/48/16/63/949481663.db2.gz	TUYZKVSECZVWCQ-JGGQBBKZSA-N	0	3	346.866	2.252	20	50		EEGDHN
C[C@@H]1[C@@H](Cl)[C@@H]1C[N@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1	ZINC001575870011	949481674	/nfs/dbraw/zinc/48/16/74/949481674.db2.gz	TUYZKVSECZVWCQ-JGGQBBKZSA-N	0	3	346.866	2.252	20	50		EEGDHN
CCC[NH+](CCC)CCCC(=O)NNc1cccc(-c2nnn[n-]2)c1	ZINC000825313380	607337235	/nfs/dbraw/zinc/33/72/35/607337235.db2.gz	CTSRSESKGZVXLP-UHFFFAOYSA-N	0	3	345.451	2.212	20	50		EEGDHN
CCC[NH+](CCC)CCCC(=O)NNc1cccc(-c2nn[n-]n2)c1	ZINC000825313380	607337237	/nfs/dbraw/zinc/33/72/37/607337237.db2.gz	CTSRSESKGZVXLP-UHFFFAOYSA-N	0	3	345.451	2.212	20	50		EEGDHN
CCC[NH+](CCC)CCCC(=O)NNc1ccc(-c2nn[n-]n2)cc1	ZINC000825313996	607356152	/nfs/dbraw/zinc/35/61/52/607356152.db2.gz	VTVDPASVSRLERX-UHFFFAOYSA-N	0	3	345.451	2.212	20	50		EEGDHN
C[C@@H]1[C@@H](Cl)[C@H]1C[N@@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1	ZINC001575870007	949482677	/nfs/dbraw/zinc/48/26/77/949482677.db2.gz	TUYZKVSECZVWCQ-DUVNUKRYSA-N	0	3	346.866	2.252	20	50		EEGDHN
C[C@@H]1[C@@H](Cl)[C@H]1C[N@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1	ZINC001575870007	949482690	/nfs/dbraw/zinc/48/26/90/949482690.db2.gz	TUYZKVSECZVWCQ-DUVNUKRYSA-N	0	3	346.866	2.252	20	50		EEGDHN
C[C@@H]1[C@@H](Cl)[C@H]1C[N@@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1	ZINC001575870007	949482701	/nfs/dbraw/zinc/48/27/01/949482701.db2.gz	TUYZKVSECZVWCQ-DUVNUKRYSA-N	0	3	346.866	2.252	20	50		EEGDHN
C[C@@H]1[C@@H](Cl)[C@H]1C[N@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1	ZINC001575870007	949482709	/nfs/dbraw/zinc/48/27/09/949482709.db2.gz	TUYZKVSECZVWCQ-DUVNUKRYSA-N	0	3	346.866	2.252	20	50		EEGDHN
C[C@@H]1[C@H](Cl)[C@@H]1C[N@@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1	ZINC001575870005	949482074	/nfs/dbraw/zinc/48/20/74/949482074.db2.gz	TUYZKVSECZVWCQ-BJJXKVORSA-N	0	3	346.866	2.252	20	50		EEGDHN
C[C@@H]1[C@H](Cl)[C@@H]1C[N@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1	ZINC001575870005	949482086	/nfs/dbraw/zinc/48/20/86/949482086.db2.gz	TUYZKVSECZVWCQ-BJJXKVORSA-N	0	3	346.866	2.252	20	50		EEGDHN
C[C@@H]1[C@H](Cl)[C@@H]1C[N@@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1	ZINC001575870005	949482100	/nfs/dbraw/zinc/48/21/00/949482100.db2.gz	TUYZKVSECZVWCQ-BJJXKVORSA-N	0	3	346.866	2.252	20	50		EEGDHN
C[C@@H]1[C@H](Cl)[C@@H]1C[N@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1	ZINC001575870005	949482108	/nfs/dbraw/zinc/48/21/08/949482108.db2.gz	TUYZKVSECZVWCQ-BJJXKVORSA-N	0	3	346.866	2.252	20	50		EEGDHN
C[C@H]1[C@H](C[N@@H+]2CCCN(c3ccccc3-c3nnn[n-]3)CC2)[C@H]1Cl	ZINC001575870013	949480902	/nfs/dbraw/zinc/48/09/02/949480902.db2.gz	TUYZKVSECZVWCQ-NOLJZWGESA-N	0	3	346.866	2.252	20	50		EEGDHN
C[C@H]1[C@H](C[N@H+]2CCCN(c3ccccc3-c3nnn[n-]3)CC2)[C@H]1Cl	ZINC001575870013	949480920	/nfs/dbraw/zinc/48/09/20/949480920.db2.gz	TUYZKVSECZVWCQ-NOLJZWGESA-N	0	3	346.866	2.252	20	50		EEGDHN
C[C@H]1[C@H](C[N@@H+]2CCCN(c3ccccc3-c3nn[n-]n3)CC2)[C@H]1Cl	ZINC001575870013	949480933	/nfs/dbraw/zinc/48/09/33/949480933.db2.gz	TUYZKVSECZVWCQ-NOLJZWGESA-N	0	3	346.866	2.252	20	50		EEGDHN
C[C@H]1[C@H](C[N@H+]2CCCN(c3ccccc3-c3nn[n-]n3)CC2)[C@H]1Cl	ZINC001575870013	949480945	/nfs/dbraw/zinc/48/09/45/949480945.db2.gz	TUYZKVSECZVWCQ-NOLJZWGESA-N	0	3	346.866	2.252	20	50		EEGDHN