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-])COc1ccccc1C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-]	ZINC000409320036	447683721	/nfs/dbraw/zinc/68/37/21/447683721.db2.gz	BAYGYFKJAXFXDZ-WAYWQWQTSA-N	-2	0	333.256	1.430	40	5		EDBBRL
O=C([O-])c1cc(=O)c2cc3c(=O)cc(C(=O)[O-])[nH]c3c(Cl)c2[nH]1	ZINC000005386075	304220426	/nfs/dbraw/zinc/22/04/26/304220426.db2.gz	KCHNFJBUYMAXKH-UHFFFAOYSA-N	-2	0	334.671	1.419	40	5		EDBBRL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(OC)c1O	ZINC000108599212	441469292	/nfs/dbraw/zinc/46/92/92/441469292.db2.gz	YDXKQLJOYHRKGT-ARJAWSKDSA-N	-2	0	335.272	1.689	40	5		EDBBRL
COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1[N+](=O)[O-]	ZINC000033399125	441595088	/nfs/dbraw/zinc/59/50/88/441595088.db2.gz	XSBHBWYZSREINK-HYXAFXHYSA-N	-2	0	334.244	1.471	40	5		EDBBRL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(OC)c1O	ZINC000016195056	441217031	/nfs/dbraw/zinc/21/70/31/441217031.db2.gz	YDXKQLJOYHRKGT-ONEGZZNKSA-N	-2	0	335.272	1.277	40	5		EDBBRL
C[C@@](CCC(=O)[O-])(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-]	ZINC000008627245	297836885	/nfs/dbraw/zinc/83/68/85/297836885.db2.gz	ZUYXIMFMQPEAGN-LBPRGKRZSA-N	-2	0	327.249	1.623	40	5		EDBBRL
COc1cc(OC)c(OC)cc1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[n-]1	ZINC000409351304	447683132	/nfs/dbraw/zinc/68/31/32/447683132.db2.gz	TXLYBZMPMNHNDJ-PLNGDYQASA-N	-2	0	349.299	1.992	40	5		EDBBRL
O=c1[n-]c(/C=C\c2cc3ccccc3oc2=O)nc([O-])c1[N+](=O)[O-]	ZINC000009010309	441102618	/nfs/dbraw/zinc/10/26/18/441102618.db2.gz	FCOBAGAIBDNXLX-WAYWQWQTSA-N	-2	0	327.252	1.661	40	5		EDBBRL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(OC)c1OC	ZINC000409342716	447683512	/nfs/dbraw/zinc/68/35/12/447683512.db2.gz	DWSYMJRLJIZDKN-PLNGDYQASA-N	-2	0	349.299	1.992	40	5		EDBBRL
O=C1[N-]C(=O)/C(=C\c2cc([N+](=O)[O-])cc(Br)c2[O-])N1	ZINC000408722375	447679399	/nfs/dbraw/zinc/67/93/99/447679399.db2.gz	STLREQLLTDZZQM-FARCUNLSSA-N	-2	0	328.078	1.243	40	5		EDBBRL
CC(C)[C@@H](Nc1c([N+](=O)[O-])cc(C(=O)[O-])cc1[N+](=O)[O-])C(=O)[O-]	ZINC000006077011	279914108	/nfs/dbraw/zinc/91/41/08/279914108.db2.gz	CHVLVZYMCPRMMK-SECBINFHSA-N	-2	0	327.249	1.722	40	5		EDBBRL
CCOc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1OC	ZINC000015009306	441193264	/nfs/dbraw/zinc/19/32/64/441193264.db2.gz	ZFXLSMXWYSTYJT-FNORWQNLSA-N	-2	0	333.300	1.961	40	5		EDBBRL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OC(C)=O	ZINC000035253080	441602879	/nfs/dbraw/zinc/60/28/79/441602879.db2.gz	KLMJJTTWEIFKMH-GQCTYLIASA-N	-2	0	347.283	1.488	40	5		EDBBRL
O=c1[n-]c(C=Cc2cc3c(cc2[N+](=O)[O-])OCO3)nc([O-])c1[N+](=O)[O-]	ZINC000409358059	447683642	/nfs/dbraw/zinc/68/36/42/447683642.db2.gz	KBELVIANDRUDPI-OWOJBTEDSA-N	-2	0	348.227	1.603	40	5		EDBBRL
CCOc1c(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cccc1OC	ZINC000009234975	201771548	/nfs/dbraw/zinc/77/15/48/201771548.db2.gz	HAMRVPODIZAIQD-BQYQJAHWSA-N	-2	0	333.300	1.961	40	5		EDBBRL
CC(C)[C@H](Nc1c([N+](=O)[O-])cc(C(=O)[O-])cc1[N+](=O)[O-])C(=O)[O-]	ZINC000006077005	280335747	/nfs/dbraw/zinc/33/57/47/280335747.db2.gz	CHVLVZYMCPRMMK-VIFPVBQESA-N	-2	0	327.249	1.722	40	5		EDBBRL