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([O-])Cc1cc([N+](=O)[O-])c[nH]c1=O	40546800	171166948	/nfs/dbraw/zinc/16/69/48/171166948.db2.gz	UPUQUVGJMORMOZ-UHFFFAOYSA-N	-2	0	198.134	-0.090	10	5		ABBERL
C[N+](C)([O-])CP(=O)([O-])[O-]	137534541	343985838	/nfs/dbraw/zinc/98/58/38/343985838.db2.gz	IQMQBGDBVZCFIE-UHFFFAOYSA-O	-2	0	156.098	-0.413	10	5		ABBERL
C[C@@H]1[C@H]([N+](=O)[O-])C1(C(=O)[O-])C(=O)[O-]	39083527	573371033	/nfs/dbraw/zinc/37/10/33/573371033.db2.gz	KSVNGRVJHXEWCH-GBXIJSLDSA-N	-2	0	189.123	-0.563	10	5		ABBERL
C[C@H]1[C@H]([N+](=O)[O-])C1(C(=O)[O-])C(=O)[O-]	39083529	573368731	/nfs/dbraw/zinc/36/87/31/573368731.db2.gz	KSVNGRVJHXEWCH-HRFVKAFMSA-N	-2	0	189.123	-0.563	10	5		ABBERL
Cn1c(C(=O)[O-])c([N+](=O)[O-])[n-]c1=O	108299280	573745501	/nfs/dbraw/zinc/74/55/01/573745501.db2.gz	RWQNQSCYQPFRGO-UHFFFAOYSA-N	-2	0	187.111	-0.680	10	5		ABBERL
O=C([O-])C(CCC[N+](=O)[O-])C(=O)[O-]	687807646	571910090	/nfs/dbraw/zinc/91/00/90/571910090.db2.gz	NUVNDNHAGKNKRY-UHFFFAOYSA-N	-2	0	191.139	-0.171	10	5		ABBERL
O=C([O-])C(CC[N+](=O)[O-])C(=O)[O-]	307909183	572751054	/nfs/dbraw/zinc/75/10/54/572751054.db2.gz	QJDZBZFZAWNMMT-UHFFFAOYSA-N	-2	0	177.112	-0.561	10	5		ABBERL
C[C@H]1[C@@H]([N+](=O)[O-])C1(C(=O)[O-])C(=O)[O-]	39083533	573371737	/nfs/dbraw/zinc/37/17/37/573371737.db2.gz	KSVNGRVJHXEWCH-STHAYSLISA-N	-2	0	189.123	-0.563	10	5		ABBERL