smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#C[C@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C1(CO)CCC1	ZINC000000027201	181070859	/nfs/dbraw/zinc/07/08/59/181070859.db2.gz	CMKYSPWIUMHMJR-CHWFTXMASA-N	0	1	249.314	-0.011	1	30		BBEFMN
[NH3+]CCCC(=O)N(O)CCC[P@](=O)([O-])O	ZINC000013644090	181371348	/nfs/dbraw/zinc/37/13/48/181371348.db2.gz	JBKGBLSHWCULKK-UHFFFAOYSA-N	0	1	240.196	-0.489	1	30		BBEFMN
[NH3+]CCC(=O)N(O)CCC[P@](=O)([O-])O	ZINC000013644181	181366248	/nfs/dbraw/zinc/36/62/48/181366248.db2.gz	NPRVVDXQQZESLR-UHFFFAOYSA-N	0	1	226.169	-0.879	1	30		BBEFMN
N#C[C@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@H](N)C1(CO)CCC1	ZINC000028462774	181070731	/nfs/dbraw/zinc/07/07/31/181070731.db2.gz	CMKYSPWIUMHMJR-ZNSHCXBVSA-N	0	1	249.314	-0.011	1	30		BBEFMN
N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@H](N)C1(CO)CCC1	ZINC000028462780	181061741	/nfs/dbraw/zinc/06/17/41/181061741.db2.gz	CMKYSPWIUMHMJR-RCWTZXSCSA-N	0	1	249.314	-0.011	1	30		BBEFMN
COCc1nc2c3n1CCN=C3C=C(N)C2=O	ZINC000028710316	174644140	/nfs/dbraw/zinc/64/41/40/174644140.db2.gz	FHHGXPUBRFZSLV-UHFFFAOYSA-N	0	1	232.243	-0.129	1	30		BBEFMN
N#Cc1ccc(CN2C[C@H](O)[C@H](O)[C@H]2CO)cc1	ZINC000040845640	181105808	/nfs/dbraw/zinc/10/58/08/181105808.db2.gz	AKXFVVPSUBXZGJ-FRRDWIJNSA-N	0	1	248.282	-0.543	1	30		BBEFMN
N/C(CCN1C=NC([N+](=O)[O-])C1)=N\O	ZINC000049925480	181182602	/nfs/dbraw/zinc/18/26/02/181182602.db2.gz	LKGMPPZNLNMFKU-LURJTMIESA-N	0	1	201.186	-0.930	1	30		BBEFMN
N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C1(CO)CCC1	ZINC000062027123	181061637	/nfs/dbraw/zinc/06/16/37/181061637.db2.gz	CMKYSPWIUMHMJR-VPOLOUISSA-N	0	1	249.314	-0.011	1	30		BBEFMN
N/C(CCN1C=NC([N+](=O)[O-])C1)=N\O	ZINC000100978390	181182981	/nfs/dbraw/zinc/18/29/81/181182981.db2.gz	LKGMPPZNLNMFKU-ZCFIWIBFSA-N	0	1	201.186	-0.930	1	30		BBEFMN
N#C[C@@H]1CCCN1C(=O)CNC(=O)c1cnn[nH]1	ZINC000169310697	181058266	/nfs/dbraw/zinc/05/82/66/181058266.db2.gz	AUGPBTYKMNUDPD-ZETCQYMHSA-N	0	1	248.246	-0.951	1	30		BBEFMN
N#C[C@@H]1CCCN1C(=O)CNC(=O)c1nc[nH]n1	ZINC000169310698	181058256	/nfs/dbraw/zinc/05/82/56/181058256.db2.gz	LTHNMKNDEOGPBM-ZETCQYMHSA-N	0	1	248.246	-0.951	1	30		BBEFMN
N#C[C@@H]1CCCN1C(=O)CNC(=O)c1ncn[nH]1	ZINC000169310698	181058255	/nfs/dbraw/zinc/05/82/55/181058255.db2.gz	LTHNMKNDEOGPBM-ZETCQYMHSA-N	0	1	248.246	-0.951	1	30		BBEFMN
[NH3+][C@@]1(NOS(=O)(=O)[O-])C=CC=CC1	ZINC000086861052	385053966	/nfs/dbraw/zinc/05/39/66/385053966.db2.gz	ZEDWFNGYLXOVTF-ZCFIWIBFSA-N	0	1	206.223	-0.519	2	30		BBEFMN
[NH3+][C@]1(NOS(=O)(=O)[O-])C=CC=CC1	ZINC000086861054	385053597	/nfs/dbraw/zinc/05/35/97/385053597.db2.gz	ZEDWFNGYLXOVTF-LURJTMIESA-N	0	1	206.223	-0.519	2	30		BBEFMN