smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[P@](=O)([O-])[C@H](O)c1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c21	ZINC000040465420	183071755	/nfs/dbraw/zinc/07/17/55/183071755.db2.gz	SDERSEQFDCMMAZ-JTQLQIEISA-N	-1	0	315.178	0.840	1	5		DCBFRM
C[C@H](C(=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	ZINC000027557991	182477461	/nfs/dbraw/zinc/47/74/61/182477461.db2.gz	YXRYBYLDTDHXDS-MRVPVSSYSA-N	-1	0	302.308	0.830	1	5		DCBFRM
O=C([O-])c1cn(COCCO)c2cc([N+](=O)[O-])ccc2c1=O	ZINC000028570709	182529251	/nfs/dbraw/zinc/52/92/51/182529251.db2.gz	MJKXAUZMNJGDAP-UHFFFAOYSA-N	-1	0	308.246	0.574	1	5		DCBFRM
O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2cc1P(=O)([O-])[O-]	ZINC000013745411	581101762	/nfs/dbraw/zinc/10/17/62/581101762.db2.gz	ODUUHISBILAFIK-UHFFFAOYSA-N	-1	0	315.134	0.148	1	5		DCBFRM
C[C@@H](C(=O)[O-])N(Cc1ccccc1[N+](=O)[O-])S(C)(=O)=O	ZINC000013863115	181907982	/nfs/dbraw/zinc/90/79/82/181907982.db2.gz	SHHCEBVPGFCVNO-QMMMGPOBSA-N	-1	0	302.308	0.830	1	5		DCBFRM
C[C@@H](OCc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12)C(=O)[O-]	ZINC000026574423	182446759	/nfs/dbraw/zinc/44/67/59/182446759.db2.gz	VLNJERKNWWNNEI-RXMQYKEDSA-N	-1	0	309.234	0.114	1	5		DCBFRM
O=C([O-])CN1C(=O)C(=O)N(CCc2cccc([N+](=O)[O-])c2)C1=O	ZINC000029561666	182570419	/nfs/dbraw/zinc/57/04/19/182570419.db2.gz	PIHIQTRFQPHVFX-UHFFFAOYSA-N	-1	0	321.245	0.013	1	5		DCBFRM
C=C1C(=O)N(CC(=O)[O-])C(=O)N1Cc1cccc([N+](=O)[O-])c1	ZINC000001891354	581091681	/nfs/dbraw/zinc/09/16/81/581091681.db2.gz	BEVCFRPRMCYQIE-UHFFFAOYSA-N	-1	0	305.246	0.957	1	5		DCBFRM
O=C([O-])c1ccn(-c2cc3[nH]c(=O)c(=O)[nH]c3cc2[N+](=O)[O-])c1	ZINC000026493020	581102042	/nfs/dbraw/zinc/10/20/42/581102042.db2.gz	URWGATGVZXHWNI-UHFFFAOYSA-N	-1	0	316.229	0.614	1	5		DCBFRM
NC1=NS(=O)(=O)[N-]c2[nH]c(-c3ccc([N+](=O)[O-])cc3)nc21	ZINC000005843614	181288536	/nfs/dbraw/zinc/28/85/36/181288536.db2.gz	RTWANQMMWSAULE-UHFFFAOYSA-N	-1	0	308.279	0.361	1	5		DCBFRM
Cc1ncc([N+](=O)[O-])n1CC(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000072116809	191039133	/nfs/dbraw/zinc/03/91/33/191039133.db2.gz	WGUUIXDGODOOAS-UHFFFAOYSA-N	-1	0	324.318	0.605	1	5		DCBFRM
C[P@](=O)([O-])[C@@H](O)c1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c21	ZINC000040465422	183071758	/nfs/dbraw/zinc/07/17/58/183071758.db2.gz	SDERSEQFDCMMAZ-SNVBAGLBSA-N	-1	0	315.178	0.840	1	5		DCBFRM