smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Cn1nc2ccccn2c1=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1	ZINC000160378828	377866085	/nfs/dbraw/zinc/86/60/85/377866085.db2.gz	CHPIXDFHWCFGOQ-CYBMUJFWSA-N	1	2	331.376	-0.525	10	70		EBIELO
O=C(Cn1nc2ccccn2c1=O)NC[C@@H]1C[N@H+](C2CC2)CCO1	ZINC000160378828	377866090	/nfs/dbraw/zinc/86/60/90/377866090.db2.gz	CHPIXDFHWCFGOQ-CYBMUJFWSA-N	1	2	331.376	-0.525	10	70		EBIELO
O=C(Cn1nc2ccccn2c1=O)NC[C@H]1C[N@@H+](C2CC2)CCO1	ZINC000160378916	377867350	/nfs/dbraw/zinc/86/73/50/377867350.db2.gz	CHPIXDFHWCFGOQ-ZDUSSCGKSA-N	1	2	331.376	-0.525	10	70		EBIELO
O=C(Cn1nc2ccccn2c1=O)NC[C@H]1C[N@H+](C2CC2)CCO1	ZINC000160378916	377867355	/nfs/dbraw/zinc/86/73/55/377867355.db2.gz	CHPIXDFHWCFGOQ-ZDUSSCGKSA-N	1	2	331.376	-0.525	10	70		EBIELO
COC(=O)Cn1cc(CC[N@@H+]2CCO[C@H](Cn3cc(C)cn3)C2)nn1	ZINC000159988659	377315712	/nfs/dbraw/zinc/31/57/12/377315712.db2.gz	YFUXQZJCABODOC-HNNXBMFYSA-N	1	2	348.407	-0.100	10	70		EBIELO
COC(=O)Cn1cc(CC[N@H+]2CCO[C@H](Cn3cc(C)cn3)C2)nn1	ZINC000159988659	377315716	/nfs/dbraw/zinc/31/57/16/377315716.db2.gz	YFUXQZJCABODOC-HNNXBMFYSA-N	1	2	348.407	-0.100	10	70		EBIELO
COC(=O)Cn1cc(CC[N@@H+]2CCO[C@@H](Cn3cccn3)C2)nn1	ZINC000159984188	377315372	/nfs/dbraw/zinc/31/53/72/377315372.db2.gz	SSHUDBFDNNEXFP-CQSZACIVSA-N	1	2	334.380	-0.409	10	70		EBIELO
COC(=O)Cn1cc(CC[N@H+]2CCO[C@@H](Cn3cccn3)C2)nn1	ZINC000159984188	377315384	/nfs/dbraw/zinc/31/53/84/377315384.db2.gz	SSHUDBFDNNEXFP-CQSZACIVSA-N	1	2	334.380	-0.409	10	70		EBIELO
COC(=O)Cn1cc(CC[N@@H+]2CCO[C@@H](Cn3cc(C)cn3)C2)nn1	ZINC000159988821	377316164	/nfs/dbraw/zinc/31/61/64/377316164.db2.gz	YFUXQZJCABODOC-OAHLLOKOSA-N	1	2	348.407	-0.100	10	70		EBIELO
COC(=O)Cn1cc(CC[N@H+]2CCO[C@@H](Cn3cc(C)cn3)C2)nn1	ZINC000159988821	377316174	/nfs/dbraw/zinc/31/61/74/377316174.db2.gz	YFUXQZJCABODOC-OAHLLOKOSA-N	1	2	348.407	-0.100	10	70		EBIELO
NC(=O)[C@H]1CCCN(C(=O)CN2CC[NH+](Cc3ccncc3)CC2)C1	ZINC000161208246	380900250	/nfs/dbraw/zinc/90/02/50/380900250.db2.gz	PDANNWJIWVIMNG-INIZCTEOSA-N	1	2	345.447	-0.077	10	70		EBIELO
NC(=O)[C@H]1CCCN(C(=O)C[NH+]2CCN(Cc3ccncc3)CC2)C1	ZINC000161208246	380900266	/nfs/dbraw/zinc/90/02/66/380900266.db2.gz	PDANNWJIWVIMNG-INIZCTEOSA-N	1	2	345.447	-0.077	10	70		EBIELO
NC(=O)[C@@H]1CCCN(C(=O)CN2CC[NH+](Cc3ccncc3)CC2)C1	ZINC000161208377	380900570	/nfs/dbraw/zinc/90/05/70/380900570.db2.gz	PDANNWJIWVIMNG-MRXNPFEDSA-N	1	2	345.447	-0.077	10	70		EBIELO
NC(=O)[C@@H]1CCCN(C(=O)C[NH+]2CCN(Cc3ccncc3)CC2)C1	ZINC000161208377	380900581	/nfs/dbraw/zinc/90/05/81/380900581.db2.gz	PDANNWJIWVIMNG-MRXNPFEDSA-N	1	2	345.447	-0.077	10	70		EBIELO
CN(CC(=O)N1CCOCC1)C(=O)C[NH+]1CCC(c2ccn[nH]2)CC1	ZINC000160655499	378295261	/nfs/dbraw/zinc/29/52/61/378295261.db2.gz	IUVKKVDOKHXMCM-UHFFFAOYSA-N	1	2	349.435	-0.094	10	70		EBIELO
COC(=O)Cn1cc(CC[N@@H+]2CCO[C@H](Cn3cccn3)C2)nn1	ZINC000159984016	377316496	/nfs/dbraw/zinc/31/64/96/377316496.db2.gz	SSHUDBFDNNEXFP-AWEZNQCLSA-N	1	2	334.380	-0.409	10	70		EBIELO
COC(=O)Cn1cc(CC[N@H+]2CCO[C@H](Cn3cccn3)C2)nn1	ZINC000159984016	377316505	/nfs/dbraw/zinc/31/65/05/377316505.db2.gz	SSHUDBFDNNEXFP-AWEZNQCLSA-N	1	2	334.380	-0.409	10	70		EBIELO
CC(=O)N1CC[NH+](CCNC(=O)c2cnc3c(c2)ncn3C)CC1	ZINC000159698231	379172068	/nfs/dbraw/zinc/17/20/68/379172068.db2.gz	BRILHODYTIQVPE-UHFFFAOYSA-N	1	2	330.392	-0.138	10	70		EBIELO