smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)COc1c(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cccc1OC	ZINC000009235083	204303203	/nfs/dbraw/zinc/30/32/03/204303203.db2.gz	DXFBYSIZBWSRJE-VOTSOKGWSA-N	-2	0	377.309	1.115	40	5		GDBBRL
O=C([O-])c1ccc(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000001731663	570376050	/nfs/dbraw/zinc/37/60/50/570376050.db2.gz	OVZZXSOYKIKFFW-UHFFFAOYSA-N	-2	0	396.289	1.732	40	5		GDBBRL
O=C1[N-]C(=O)/C(=C\c2cc([N+](=O)[O-])cc(I)c2[O-])N1	ZINC000409047698	534784041	/nfs/dbraw/zinc/78/40/41/534784041.db2.gz	PYNIIMCNOYVFRX-FARCUNLSSA-N	-2	0	375.078	1.085	40	5		GDBBRL
O=C([O-])CN1C(=O)N/C(=C/c2cc(Br)c([O-])c([N+](=O)[O-])c2)C1=O	ZINC000408596255	231073205	/nfs/dbraw/zinc/07/32/05/231073205.db2.gz	RWHWIEYFUWFWHQ-FARCUNLSSA-N	-2	0	386.114	1.040	40	5		GDBBRL
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Br)cc([N+](=O)[O-])c2[O-])[nH]1	ZINC000034863883	530613262	/nfs/dbraw/zinc/61/32/62/530613262.db2.gz	RIXMJDHOQDKYAT-OWOJBTEDSA-N	-2	0	399.113	1.930	40	5		GDBBRL
O=[N+]([O-])c1c2ccc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c1[N+](=O)[O-]	ZINC000004538750	530536932	/nfs/dbraw/zinc/53/69/32/530536932.db2.gz	RWSMEUGBSLLVNA-UHFFFAOYSA-N	-2	0	378.296	1.150	40	5		GDBBRL
O=C(NCCNC(=O)c1cccc([N+](=O)[O-])c1[O-])c1cccc([N+](=O)[O-])c1[O-]	ZINC000001727262	209337172	/nfs/dbraw/zinc/33/71/72/209337172.db2.gz	MXZRKLWNRKMCGZ-UHFFFAOYSA-N	-2	0	390.308	1.074	40	5		GDBBRL
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCC(=O)[O-]	ZINC000016688977	570494785	/nfs/dbraw/zinc/49/47/85/570494785.db2.gz	SPSSPGFVFGXAQY-XQRVVYSFSA-N	-3	0	377.309	1.416	40	5		GDBBRL
O=C([O-])CN1C(=O)N/C(=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])C1=O	ZINC000408595937	231073108	/nfs/dbraw/zinc/07/31/08/231073108.db2.gz	XXOHDESEHCUTQA-KRXBUXKQSA-N	-2	0	386.114	1.040	40	5		GDBBRL
Cc1c(N)cc(S(=O)(=O)[O-])cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000255189638	531093002	/nfs/dbraw/zinc/09/30/02/531093002.db2.gz	RFJQXVKIOKUXIN-UHFFFAOYSA-N	-2	0	387.395	1.533	40	5		GDBBRL
CCOc1cccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)c1OCC(=O)OC	ZINC000408605262	528625780	/nfs/dbraw/zinc/62/57/80/528625780.db2.gz	LKFVAIIWHZHYKT-BQYQJAHWSA-N	-2	0	391.336	1.917	40	5		GDBBRL
CCOC(=O)COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OC	ZINC000409339933	528841204	/nfs/dbraw/zinc/84/12/04/528841204.db2.gz	MXIVAQNBZJJDED-FNORWQNLSA-N	-2	0	391.336	1.917	40	5		GDBBRL
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCC(=O)OC	ZINC000409339679	528199781	/nfs/dbraw/zinc/19/97/81/528199781.db2.gz	KLZGTUVTHWKZFL-ALCCZGGFSA-N	-2	0	391.336	1.917	40	5		GDBBRL
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc([N+](=O)[O-])cc(Br)c2[O-])[nH]1	ZINC000107730858	530854679	/nfs/dbraw/zinc/85/46/79/530854679.db2.gz	BCMXQQGPOPQGQL-OWOJBTEDSA-N	-2	0	399.113	1.518	40	5		GDBBRL
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCC(=O)[O-]	ZINC000032687734	570735934	/nfs/dbraw/zinc/73/59/34/570735934.db2.gz	FKCHQVAUMXHVAZ-HYXAFXHYSA-N	-2	0	377.309	1.416	40	5		GDBBRL