smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(Oc2ccnc(N)c2)ccc1[N+](=O)[O-]	ZINC000059822582	178215583	/nfs/dbraw/zinc/21/55/83/178215583.db2.gz	CQOMRRJWVKZXOJ-UHFFFAOYSA-N	0	1	245.238	2.673	40	5		BFBBMN
CC(C)c1n[nH]c(-c2ccccc2[N+](=O)[O-])n1	ZINC000046085290	358066725	/nfs/dbraw/zinc/06/67/25/358066725.db2.gz	KNCCKNBODVJWGC-UHFFFAOYSA-N	0	1	232.243	2.503	40	5		BFBBMN
O=[N+]([O-])c1ccc(-c2nc3ccc(F)cc3[nH]2)o1	ZINC000008652521	372822474	/nfs/dbraw/zinc/82/24/74/372822474.db2.gz	YKCVVHOLBKXNPV-UHFFFAOYSA-N	0	1	247.185	2.870	40	5		BFBBMN
O=[N+]([O-])c1ccc(Nc2ccncc2)cc1	ZINC000005103457	346611087	/nfs/dbraw/zinc/61/10/87/346611087.db2.gz	JOKLFEDBHGTZLZ-UHFFFAOYSA-N	0	1	215.212	2.733	40	5		BFBBMN
O=[N+]([O-])c1cccc(CNCc2cccs2)c1	ZINC000016399866	357731453	/nfs/dbraw/zinc/73/14/53/357731453.db2.gz	HOFXLHFGOQCKSV-UHFFFAOYSA-N	0	1	248.307	2.946	40	5		BFBBMN
O=[N+]([O-])c1c(-c2ccccc2)[nH]nc1C(F)F	ZINC000016159160	356816441	/nfs/dbraw/zinc/81/64/41/356816441.db2.gz	KUGNZJQBVWLMFO-UHFFFAOYSA-N	0	1	239.181	2.923	40	5		BFBBMN
O=[N+]([O-])c1ccccc1CNCc1ccccc1	ZINC000020038315	371221951	/nfs/dbraw/zinc/22/19/51/371221951.db2.gz	WEWJQVKHZUNSPG-UHFFFAOYSA-N	0	1	242.278	2.885	40	5		BFBBMN
O=[N+]([O-])c1ccccc1Nc1ccncc1	ZINC000003953266	372098845	/nfs/dbraw/zinc/09/88/45/372098845.db2.gz	VHQUELUASRQSPI-UHFFFAOYSA-N	0	1	215.212	2.733	40	5		BFBBMN
Nc1cc(Oc2ccc([N+](=O)[O-])cc2F)ccn1	ZINC000059822321	384368692	/nfs/dbraw/zinc/36/86/92/384368692.db2.gz	ARWPYOZMCQGHQS-UHFFFAOYSA-N	0	1	249.201	2.503	40	5		BFBBMN
c1nc2c(n1)c1c[nH]ccc1c1ncccc21	ZINC000013211768	384348554	/nfs/dbraw/zinc/34/85/54/384348554.db2.gz	ZXIKBUYDGNYRBE-UHFFFAOYSA-N	0	1	220.235	2.659	40	5		BFBBMN
c1nc2c([nH]1)c1cnccc1c1ncccc21	ZINC000013211768	384348558	/nfs/dbraw/zinc/34/85/58/384348558.db2.gz	ZXIKBUYDGNYRBE-UHFFFAOYSA-N	0	1	220.235	2.659	40	5		BFBBMN
O=[N+]([O-])c1ccccc1CN1CCCCC1	ZINC000001692028	357154433	/nfs/dbraw/zinc/15/44/33/357154433.db2.gz	QKNUYACRZCAJKF-UHFFFAOYSA-N	0	1	220.272	2.581	40	5		BFBBMN
O=[N+]([O-])c1ccc(O)c(-c2ccccc2)c1	ZINC000084191264	384263820	/nfs/dbraw/zinc/26/38/20/384263820.db2.gz	FIBBSIRCVZWBML-UHFFFAOYSA-N	0	1	215.208	2.967	40	5		BFBBMN
CC(C)c1nnc(-c2cccc([N+](=O)[O-])c2)[nH]1	ZINC000040175780	373115448	/nfs/dbraw/zinc/11/54/48/373115448.db2.gz	UKJDHFZKTZJPKR-UHFFFAOYSA-N	0	1	232.243	2.503	40	5		BFBBMN
CC(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)[nH]1	ZINC000040175781	373114413	/nfs/dbraw/zinc/11/44/13/373114413.db2.gz	HZUGYNHKGAZAIA-UHFFFAOYSA-N	0	1	232.243	2.503	40	5		BFBBMN
O=C(c1ccc(O)cc1)c1cccc([N+](=O)[O-])c1	ZINC000071245513	384743934	/nfs/dbraw/zinc/74/39/34/384743934.db2.gz	JWUQLABOVXZFGZ-UHFFFAOYSA-N	0	1	243.218	2.531	40	5		BFBBMN
Cc1cc([N+](=O)[O-])ccc1Oc1ccnc(N)c1	ZINC000059821985	178272316	/nfs/dbraw/zinc/27/23/16/178272316.db2.gz	ZZTYDAVBBQOEOR-UHFFFAOYSA-N	0	1	245.238	2.673	40	5		BFBBMN
Cc1nnc2c3ccc4ccccc4c3[nH]nc1-2	ZINC000000408859	383866440	/nfs/dbraw/zinc/86/64/40/383866440.db2.gz	SJFPWKLCYPPTQM-UHFFFAOYSA-N	0	1	234.262	2.968	40	5		BFBBMN