smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c4cccc([N+](=O)[O-])c4)c3[O-])nc2c1	ZINC000014956830	563007575	/nfs/dbraw/zinc/00/75/75/563007575.db2.gz	PUUQNMDXLJJKHW-INIZCTEOSA-N	-2	3	489.444	3.438	1	5		JGBFHL
NC(=[NH2+])c1ccc2nc(-c3cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c4cccc([N+](=O)[O-])c4)c3[O-])[nH]c2c1	ZINC000014956830	563007576	/nfs/dbraw/zinc/00/75/76/563007576.db2.gz	PUUQNMDXLJJKHW-INIZCTEOSA-N	-2	3	489.444	3.438	1	5		JGBFHL
O=C([O-])[C@]1(O)C[C@@H]2O[C@H]1n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)[N-]C4=O	ZINC000029336100	563100709	/nfs/dbraw/zinc/10/07/09/563100709.db2.gz	YOBMSPBCYIKVNB-NRSLUSSRSA-N	-2	3	453.410	3.033	1	5		JGBFHL
NC(=[NH2+])c1ccc2[nH]c(-c3cc(CC(C(=O)[O-])C(=O)[O-])cc(-c4cccc([N+](=O)[O-])c4)c3[O-])nc2c1	ZINC000034804667	563116443	/nfs/dbraw/zinc/11/64/43/563116443.db2.gz	VFFCJVABPWUSHD-UHFFFAOYSA-N	-2	3	489.444	3.123	1	5		JGBFHL
NC(=[NH2+])c1ccc2nc(-c3cc(CC(C(=O)[O-])C(=O)[O-])cc(-c4cccc([N+](=O)[O-])c4)c3[O-])[nH]c2c1	ZINC000034804667	563116445	/nfs/dbraw/zinc/11/64/45/563116445.db2.gz	VFFCJVABPWUSHD-UHFFFAOYSA-N	-2	3	489.444	3.123	1	5		JGBFHL
O=[N+]([O-])c1ccc(/C=C(\c2nc3ccccc3s2)C(P(=O)([O-])[O-])P(=O)([O-])[O-])cc1	ZINC000040956739	563160939	/nfs/dbraw/zinc/16/09/39/563160939.db2.gz	XRMZTRNNTLSGLV-FMIVXFBMSA-N	-4	3	456.309	3.427	1	5		JGBFHL
O=[N+]([O-])c1ccccc1/C=C(\c1nc2ccccc2s1)C(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000040974581	563161781	/nfs/dbraw/zinc/16/17/81/563161781.db2.gz	LIQPVGGINMOKOW-PKNBQFBNSA-N	-4	3	456.309	3.427	1	5		JGBFHL
NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c4cccc([N+](=O)[O-])c4)c3[O-])nc2c1	ZINC000014956826	563007587	/nfs/dbraw/zinc/00/75/87/563007587.db2.gz	PUUQNMDXLJJKHW-MRXNPFEDSA-N	-2	3	489.444	3.438	1	5		JGBFHL
NC(=[NH2+])c1ccc2nc(-c3cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c4cccc([N+](=O)[O-])c4)c3[O-])[nH]c2c1	ZINC000014956826	563007589	/nfs/dbraw/zinc/00/75/89/563007589.db2.gz	PUUQNMDXLJJKHW-MRXNPFEDSA-N	-2	3	489.444	3.438	1	5		JGBFHL
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c1	ZINC000025248324	563020525	/nfs/dbraw/zinc/02/05/25/563020525.db2.gz	CIEUJIMBMJNLDF-UHFFFAOYSA-N	-3	3	491.503	3.203	3	5		JGBFHL