smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)Cn1cc(CC[N@@H+]2CCCN(Cc3cnn(C)c3)CC2)nn1	ZINC000159959387	243199786	/nfs/dbraw/zinc/19/97/86/243199786.db2.gz	QYIDFADYTUBIGQ-UHFFFAOYSA-N	1	0	361.450	-0.065	10	70		FBIERO
O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000160021354	484331019	/nfs/dbraw/zinc/33/10/19/484331019.db2.gz	YEWKKKUKEJZDNN-ZDUSSCGKSA-N	1	0	360.414	-0.347	10	70		FBIERO
O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000160021455	484331192	/nfs/dbraw/zinc/33/11/92/484331192.db2.gz	YEWKKKUKEJZDNN-CYBMUJFWSA-N	1	0	360.414	-0.347	10	70		FBIERO
O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1	ZINC000161067582	243199449	/nfs/dbraw/zinc/19/94/49/243199449.db2.gz	YXCXWSYVUBMCLF-CQSZACIVSA-N	1	0	361.450	-0.458	10	70		FBIERO
O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1	ZINC000161067697	243201058	/nfs/dbraw/zinc/20/10/58/243201058.db2.gz	YXCXWSYVUBMCLF-AWEZNQCLSA-N	1	0	361.450	-0.458	10	70		FBIERO
CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1	ZINC000161307528	243199709	/nfs/dbraw/zinc/19/97/09/243199709.db2.gz	SIBURGQYSVWOBG-CQSZACIVSA-N	1	0	363.466	-0.212	10	70		FBIERO
CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1	ZINC000161307677	243201472	/nfs/dbraw/zinc/20/14/72/243201472.db2.gz	SIBURGQYSVWOBG-AWEZNQCLSA-N	1	0	363.466	-0.212	10	70		FBIERO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)C1	ZINC000161371135	243201192	/nfs/dbraw/zinc/20/11/92/243201192.db2.gz	LKEGJTOZHXQSAE-MNOVXSKESA-N	1	0	362.434	-0.273	10	70		FBIERO
CC(C)[N@H+]1C[C@H](NC(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)[C@@H](C)C1	ZINC000161371216	243198789	/nfs/dbraw/zinc/19/87/89/243198789.db2.gz	LKEGJTOZHXQSAE-QWRGUYRKSA-N	1	0	362.434	-0.273	10	70		FBIERO