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@@]1(c2cn[nH]n2)CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1	ZINC000794014789	578568795	/nfs/dbraw/zinc/56/87/95/578568795.db2.gz	HKYKANPFABXSNX-KRWDZBQOSA-N	1	1	329.404	0.735	10	10		ECCEMO
O[C@@]1(c2c[nH]nn2)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1	ZINC000794014789	578568796	/nfs/dbraw/zinc/56/87/96/578568796.db2.gz	HKYKANPFABXSNX-KRWDZBQOSA-N	1	1	329.404	0.735	10	10		ECCEMO
O[C@@]1(c2c[nH]nn2)CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1	ZINC000794014789	578568797	/nfs/dbraw/zinc/56/87/97/578568797.db2.gz	HKYKANPFABXSNX-KRWDZBQOSA-N	1	1	329.404	0.735	10	10		ECCEMO
C[C@@H](O)C[N@H+]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C	ZINC000105822619	545735981	/nfs/dbraw/zinc/73/59/81/545735981.db2.gz	IJQVDNASKIVKKR-HZPDHXFCSA-N	1	1	348.491	0.756	10	10		ECCEMO
C[C@@H](O)C[N@H+]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C	ZINC000105822622	545735123	/nfs/dbraw/zinc/73/51/23/545735123.db2.gz	IJQVDNASKIVKKR-JKSUJKDBSA-N	1	1	348.491	0.756	10	10		ECCEMO
CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1	ZINC000173984780	437070198	/nfs/dbraw/zinc/07/01/98/437070198.db2.gz	JLLUGFHTXVFRRV-GOSISDBHSA-N	1	1	346.475	0.775	10	10		ECCEMO
CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@H](N3CCOCC3)C2)cc1	ZINC000173984780	437070202	/nfs/dbraw/zinc/07/02/02/437070202.db2.gz	JLLUGFHTXVFRRV-GOSISDBHSA-N	1	1	346.475	0.775	10	10		ECCEMO
CCOC(=O)c1cnn2c1[nH]c(CN1CC[N@H+]3CCC[C@H]3C1)cc2=O	ZINC000246220152	436775718	/nfs/dbraw/zinc/77/57/18/436775718.db2.gz	BGTWHIWDIBYAJU-ZDUSSCGKSA-N	1	1	345.403	0.892	10	10		ECCEMO
CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](N3CCOCC3)C2)cc1	ZINC000173984758	437072112	/nfs/dbraw/zinc/07/21/12/437072112.db2.gz	JLLUGFHTXVFRRV-SFHVURJKSA-N	1	1	346.475	0.775	10	10		ECCEMO
CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@H](N3CCOCC3)C2)cc1	ZINC000173984758	437072118	/nfs/dbraw/zinc/07/21/18/437072118.db2.gz	JLLUGFHTXVFRRV-SFHVURJKSA-N	1	1	346.475	0.775	10	10		ECCEMO
CC(C)N1CCc2cc(C[N@@H+]3CCN4C(=O)CNC(=O)[C@H]4C3)ccc21	ZINC000106266560	436590490	/nfs/dbraw/zinc/59/04/90/436590490.db2.gz	QHRBZFHIZPQKMS-QGZVFWFLSA-N	1	1	342.443	0.600	10	10		ECCEMO
CC(C)N1CCc2cc(C[N@H+]3CCN4C(=O)CNC(=O)[C@H]4C3)ccc21	ZINC000106266560	436590493	/nfs/dbraw/zinc/59/04/93/436590493.db2.gz	QHRBZFHIZPQKMS-QGZVFWFLSA-N	1	1	342.443	0.600	10	10		ECCEMO
CCOC(=O)c1cnn2c1[nH]c(CN1CC[N@H+]3CCC[C@@H]3C1)cc2=O	ZINC000178627892	437219736	/nfs/dbraw/zinc/21/97/36/437219736.db2.gz	BGTWHIWDIBYAJU-CYBMUJFWSA-N	1	1	345.403	0.892	10	10		ECCEMO
O[C@]1(c2cn[nH]n2)CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1	ZINC000794014790	578568836	/nfs/dbraw/zinc/56/88/36/578568836.db2.gz	HKYKANPFABXSNX-QGZVFWFLSA-N	1	1	329.404	0.735	10	10		ECCEMO
O[C@]1(c2c[nH]nn2)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1	ZINC000794014790	578568837	/nfs/dbraw/zinc/56/88/37/578568837.db2.gz	HKYKANPFABXSNX-QGZVFWFLSA-N	1	1	329.404	0.735	10	10		ECCEMO
O[C@]1(c2c[nH]nn2)CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1	ZINC000794014790	578568838	/nfs/dbraw/zinc/56/88/38/578568838.db2.gz	HKYKANPFABXSNX-QGZVFWFLSA-N	1	1	329.404	0.735	10	10		ECCEMO
CN1CCN(c2ccc(-c3nccn3[C@@H]3C[NH2+]C[C@H]3O)cc2)CC1	ZINC000067833673	609596166	/nfs/dbraw/zinc/59/61/66/609596166.db2.gz	DXBSKBAHVJKZDG-IAGOWNOFSA-N	1	1	327.432	0.807	10	10		ECCEMO
CC(C)N1CCc2cc(C[N@@H+]3CCN4C(=O)CNC(=O)[C@@H]4C3)ccc21	ZINC000065456282	436663011	/nfs/dbraw/zinc/66/30/11/436663011.db2.gz	QHRBZFHIZPQKMS-KRWDZBQOSA-N	1	1	342.443	0.600	10	10		ECCEMO
CC(C)N1CCc2cc(C[N@H+]3CCN4C(=O)CNC(=O)[C@@H]4C3)ccc21	ZINC000065456282	436663014	/nfs/dbraw/zinc/66/30/14/436663014.db2.gz	QHRBZFHIZPQKMS-KRWDZBQOSA-N	1	1	342.443	0.600	10	10		ECCEMO