smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1nnc(S/C(=C\c2cc([N+](=O)[O-])ccc2[O-])C(=O)[O-])o1	ZINC000038423292	463445651	/nfs/dbraw/zinc/44/56/51/463445651.db2.gz	OJWOMKNIMMZCLV-POHAHGRESA-N	-2	0	337.313	2.464	40	5		EEBBRL
CN(C)c1ccc(C(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])c([O-])c1	ZINC000002387143	462592583	/nfs/dbraw/zinc/59/25/83/462592583.db2.gz	PRRWAMBIGMTQIQ-UHFFFAOYSA-N	-2	0	330.296	2.296	40	5	in-vitro	EEBBRL
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OC	ZINC000409344591	466686825	/nfs/dbraw/zinc/68/68/25/466686825.db2.gz	HGXXIRBUXYFWQF-ALCCZGGFSA-N	-2	0	333.300	2.374	40	5		EEBBRL
O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c1	ZINC000223369406	464142196	/nfs/dbraw/zinc/14/21/96/464142196.db2.gz	LSQFCJJRIUVTJX-UHFFFAOYSA-N	-2	0	340.288	2.233	40	5		EEBBRL
O=C([O-])c1ccccc1NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1	ZINC000226862892	242116515	/nfs/dbraw/zinc/11/65/15/242116515.db2.gz	KKIRMHMSOPZSMI-UHFFFAOYSA-N	-2	0	340.288	2.233	40	5		EEBBRL
O=C([O-])/C=C/c1cc([N+](=O)[O-])cc(I)c1[O-]	ZINC000083324671	463544835	/nfs/dbraw/zinc/54/48/35/463544835.db2.gz	DBPHNDKXDHZSJF-OWOJBTEDSA-N	-2	0	335.053	2.003	40	5		EEBBRL
O=C([O-])c1cc(C(=O)[O-])cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1	ZINC000005569846	304223782	/nfs/dbraw/zinc/22/37/82/304223782.db2.gz	WGSUYUSGPGLAOH-UHFFFAOYSA-N	-2	0	330.252	2.244	40	5		EEBBRL
Cc1c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cccc1C(=O)[O-]	ZINC000065844568	462833434	/nfs/dbraw/zinc/83/34/34/462833434.db2.gz	HFONDTILMSNODA-UHFFFAOYSA-N	-2	0	336.325	2.402	40	5		EEBBRL
O=C([O-])CCCCCNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000006444470	304047549	/nfs/dbraw/zinc/04/75/49/304047549.db2.gz	JXLBXXNYFYKGHN-UHFFFAOYSA-N	-2	0	341.276	2.258	40	5		EEBBRL
CCOc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1OCC	ZINC000015009304	462938324	/nfs/dbraw/zinc/93/83/24/462938324.db2.gz	WSBKSAQVULWSAN-SOFGYWHQSA-N	-2	0	347.327	2.352	40	5		EEBBRL
O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)c1	ZINC000223370749	464141624	/nfs/dbraw/zinc/14/16/24/464141624.db2.gz	ANCHSWYUBDMOQG-UHFFFAOYSA-N	-2	0	340.288	2.233	40	5		EEBBRL
CCOc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)c(OCC)c1	ZINC000015009270	462937663	/nfs/dbraw/zinc/93/76/63/462937663.db2.gz	MALWWWHYBQEKFD-SOFGYWHQSA-N	-2	0	347.327	2.352	40	5		EEBBRL
O=C([O-])c1cc(C(=O)[O-])cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1	ZINC000005569095	462663134	/nfs/dbraw/zinc/66/31/34/462663134.db2.gz	XJCRGARBQZBADW-UHFFFAOYSA-N	-2	0	330.252	2.244	40	5		EEBBRL
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Cl)cc(Cl)c2[O-])[nH]1	ZINC000006452809	462686794	/nfs/dbraw/zinc/68/67/94/462686794.db2.gz	OEHPQNDZBHJRBE-OWOJBTEDSA-N	-2	0	344.110	2.154	40	5		EEBBRL
O=C([O-])c1ccc(Oc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c([N+](=O)[O-])c1	ZINC000002504694	462595601	/nfs/dbraw/zinc/59/56/01/462595601.db2.gz	MKKODOYJRMAENI-UHFFFAOYSA-N	-3	0	347.235	2.482	40	5		EEBBRL
O=C([O-])c1ccc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1	ZINC000324333206	258003080	/nfs/dbraw/zinc/00/30/80/258003080.db2.gz	BYDSZDPFFPVOJU-UHFFFAOYSA-N	-2	0	340.288	2.233	40	5		EEBBRL
CN(C)c1ccc(C(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])c([O-])c1	ZINC000002387144	462592969	/nfs/dbraw/zinc/59/29/69/462592969.db2.gz	ISSFRVNVTUDNLA-UHFFFAOYSA-N	-2	0	330.296	2.296	40	5	in-vitro	EEBBRL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)c[nH]1	ZINC000253393901	464999056	/nfs/dbraw/zinc/99/90/56/464999056.db2.gz	VJYWPTQOOCPLJS-UHFFFAOYSA-N	-2	0	345.720	2.075	40	5		EEBBRL
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000014097277	462909896	/nfs/dbraw/zinc/90/98/96/462909896.db2.gz	AXSPOSQNQCLQDP-UHFFFAOYSA-N	-2	0	336.325	2.402	40	5		EEBBRL
Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000013059809	462883559	/nfs/dbraw/zinc/88/35/59/462883559.db2.gz	NORYCNFECIXCNN-UHFFFAOYSA-N	-2	0	336.325	2.402	40	5		EEBBRL
CCc1nc(SC(=Cc2cc([N+](=O)[O-])ccc2[O-])C(=O)[O-])n[nH]1	ZINC000038419927	463445804	/nfs/dbraw/zinc/44/58/04/463445804.db2.gz	BMAUVEMSWBBQNK-POHAHGRESA-N	-2	0	336.329	2.199	40	5		EEBBRL