smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C2=NO[C@H](c3ccccc3)C2[N+](=O)[O-])cc1	ZINC000005320754	346211371	/nfs/dbraw/zinc/21/13/71/346211371.db2.gz	HVEUNYIMIPDGQV-JKSUJKDBSA-N	0	2	298.298	2.816	50	5		CFBALN
O=C(Cc1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]	ZINC000003845528	371817501	/nfs/dbraw/zinc/81/75/01/371817501.db2.gz	SRFXAZQIBPBVEY-UHFFFAOYSA-N	0	2	286.243	2.928	50	5		CFBALN
CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)c1cccc(F)c1	ZINC000097112884	375523134	/nfs/dbraw/zinc/52/31/34/375523134.db2.gz	ZAWOMVXYGQTZIK-UHFFFAOYSA-N	0	2	290.250	2.716	50	5		CFBALN
Cc1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)o1	ZINC000096007289	185062946	/nfs/dbraw/zinc/06/29/46/185062946.db2.gz	NWVWDQGTOBRHHI-UHFFFAOYSA-N	0	2	296.304	2.605	50	5		CFBALN
COc1ccc(C2=NO[C@@H](c3ccccc3)C2[N+](=O)[O-])cc1	ZINC000005320755	346211104	/nfs/dbraw/zinc/21/11/04/346211104.db2.gz	HVEUNYIMIPDGQV-CVEARBPZSA-N	0	2	298.298	2.816	50	5		CFBALN
O=[N+]([O-])c1ccc(O)c(-c2cc(C(F)(F)F)n[nH]2)c1	ZINC000004632434	371869106	/nfs/dbraw/zinc/86/91/06/371869106.db2.gz	RBYXJFWRNCPAMH-UHFFFAOYSA-N	0	2	273.170	2.709	50	5		CFBALN
O=[N+]([O-])c1ccc(O)c(-c2cc(C(F)(F)F)[nH]n2)c1	ZINC000004632434	371869113	/nfs/dbraw/zinc/86/91/13/371869113.db2.gz	RBYXJFWRNCPAMH-UHFFFAOYSA-N	0	2	273.170	2.709	50	5		CFBALN
C[C@H]1CC[C@@H](CCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)O1	ZINC000155957301	378633146	/nfs/dbraw/zinc/63/31/46/378633146.db2.gz	MHNLACKJFUCMJX-ONGXEEELSA-N	0	2	294.307	2.587	50	5		CFBALN
CSc1ccccc1NC(=O)c1noc(C)c1[N+](=O)[O-]	ZINC000004937315	170042722	/nfs/dbraw/zinc/04/27/22/170042722.db2.gz	BJCVXQDOTINHPZ-UHFFFAOYSA-N	0	2	293.304	2.865	50	5		CFBALN
Cc1ccc(NS(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1	ZINC000003833293	371819055	/nfs/dbraw/zinc/81/90/55/371819055.db2.gz	MJUHDEYUFJKWTI-UHFFFAOYSA-N	0	2	292.316	2.704	50	5		CFBALN
Cc1cscc1C(=O)Nc1cc([N+](=O)[O-])ccc1O	ZINC000092549928	375121903	/nfs/dbraw/zinc/12/19/03/375121903.db2.gz	VPYBPOLDAVGLJW-UHFFFAOYSA-N	0	2	278.289	2.923	50	5		CFBALN
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cccs1	ZINC000035334137	172131549	/nfs/dbraw/zinc/13/15/49/172131549.db2.gz	YKBALJAHPXXISH-MRVPVSSYSA-N	0	2	292.316	2.853	50	5		CFBALN
O=C1NC(=S)SC1=Cc1cc([N+](=O)[O-])ccc1O	ZINC000020027280	304803642	/nfs/dbraw/zinc/80/36/42/304803642.db2.gz	TZPNRWBIBYADGP-YWEYNIOJSA-N	0	2	282.302	2.630	50	5		CFBALN
O=C(Nc1ccc(F)cc1F)c1ccc([N+](=O)[O-])c(O)c1	ZINC000096004270	185062219	/nfs/dbraw/zinc/06/22/19/185062219.db2.gz	KORRZARIQITOIF-UHFFFAOYSA-N	0	2	294.213	2.831	50	5		CFBALN
CC1(NC(=O)c2cccc(O)c2[N+](=O)[O-])CCCCC1	ZINC000283081772	394129387	/nfs/dbraw/zinc/12/93/87/394129387.db2.gz	QLKQIDDJMVZHNT-UHFFFAOYSA-N	0	2	278.308	2.753	50	5		CFBALN
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccncc1Cl	ZINC000092547196	375122267	/nfs/dbraw/zinc/12/22/67/375122267.db2.gz	YXAPTLIBXHVOIP-UHFFFAOYSA-N	0	2	293.666	2.601	50	5		CFBALN
O=C1NC(=S)SC1=Cc1ccc(O)c([N+](=O)[O-])c1	ZINC000012793762	304798625	/nfs/dbraw/zinc/79/86/25/304798625.db2.gz	ZTQRQPGYCKVROX-YWEYNIOJSA-N	0	2	282.302	2.630	50	5		CFBALN
Cc1nc(=O)c2sc3nc4ccccc4nc3c2[nH]1	ZINC000005490241	346211874	/nfs/dbraw/zinc/21/18/74/346211874.db2.gz	HQXXWPURYDKIPD-UHFFFAOYSA-N	0	2	268.301	2.802	50	5		CFBALN
O=C1NC(=S)SC1=Cc1ccc(O)c([N+](=O)[O-])c1	ZINC000015011582	372077135	/nfs/dbraw/zinc/07/71/35/372077135.db2.gz	ZTQRQPGYCKVROX-XBXARRHUSA-N	0	2	282.302	2.630	50	5		CFBALN
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1F	ZINC000035974033	372553243	/nfs/dbraw/zinc/55/32/43/372553243.db2.gz	STHJNZNMKDOVHX-UHFFFAOYSA-N	0	2	276.223	2.692	50	5		CFBALN
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(F)c1	ZINC000035982139	372554730	/nfs/dbraw/zinc/55/47/30/372554730.db2.gz	LXWONXNGGXOAEJ-UHFFFAOYSA-N	0	2	276.223	2.692	50	5		CFBALN
O=C(CCc1ccccc1)Nc1cc([N+](=O)[O-])ccc1O	ZINC000036278864	372569310	/nfs/dbraw/zinc/56/93/10/372569310.db2.gz	RWQVQEUFHITQLX-UHFFFAOYSA-N	0	2	286.287	2.872	50	5		CFBALN
C/C(=C/c1ccc([N+](=O)[O-])c(O)c1)c1cnccn1	ZINC000097098186	375516192	/nfs/dbraw/zinc/51/61/92/375516192.db2.gz	FZJPHQZAZBSNKE-TWGQIWQCSA-N	0	2	257.249	2.651	50	5		CFBALN
O=C1NC(=S)SC1=Cc1cc([N+](=O)[O-])ccc1O	ZINC000018211500	304803550	/nfs/dbraw/zinc/80/35/50/304803550.db2.gz	TZPNRWBIBYADGP-XBXARRHUSA-N	0	2	282.302	2.630	50	5		CFBALN
O=C(C=C(O)c1ccccc1)Cc1ccccc1[N+](=O)[O-]	ZINC000100660560	347713774	/nfs/dbraw/zinc/71/37/74/347713774.db2.gz	MWLHLRXKDDNINF-UHFFFAOYSA-N	0	2	283.283	2.979	50	5		CFBALN
Cc1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000000241301	371566818	/nfs/dbraw/zinc/56/68/18/371566818.db2.gz	TXAYYLVKJPPOES-UHFFFAOYSA-N	0	2	292.316	2.704	50	5		CFBALN
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(F)cc1	ZINC000035979407	372554641	/nfs/dbraw/zinc/55/46/41/372554641.db2.gz	RUXZXDKCHXPYTG-UHFFFAOYSA-N	0	2	276.223	2.692	50	5		CFBALN
O=C(Nc1cc(Cl)ccn1)c1ccc([N+](=O)[O-])c(O)c1	ZINC000075093928	374456365	/nfs/dbraw/zinc/45/63/65/374456365.db2.gz	KXMLFQIIIGATPC-UHFFFAOYSA-N	0	2	293.666	2.601	50	5		CFBALN
C[C@H]1CC[C@@H](CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)O1	ZINC000089541180	374920850	/nfs/dbraw/zinc/92/08/50/374920850.db2.gz	JSBVILYCASBNOQ-ONGXEEELSA-N	0	2	294.307	2.587	50	5		CFBALN
COc1ccc(C2=NO[C@H](c3ccccc3)C2[N+](=O)[O-])cc1	ZINC000005320752	346211366	/nfs/dbraw/zinc/21/13/66/346211366.db2.gz	HVEUNYIMIPDGQV-HZPDHXFCSA-N	0	2	298.298	2.816	50	5		CFBALN
O=c1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1-c1ccccc1	ZINC000048545491	346475856	/nfs/dbraw/zinc/47/58/56/346475856.db2.gz	MLEZODDVEFJVML-UHFFFAOYSA-N	0	2	281.271	2.736	50	5		CFBALN
O=C(COC1CCCCC1)Nc1cc([N+](=O)[O-])ccc1O	ZINC000089540875	179814738	/nfs/dbraw/zinc/81/47/38/179814738.db2.gz	BBHDLIASGVNPCX-UHFFFAOYSA-N	0	2	294.307	2.588	50	5		CFBALN
COc1ccccc1Nc1ncc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000003879135	371822405	/nfs/dbraw/zinc/82/24/05/371822405.db2.gz	WOTSKDVAWCTHMA-UHFFFAOYSA-N	0	2	290.235	2.650	50	5		CFBALN
C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cccs1	ZINC000035334135	172131976	/nfs/dbraw/zinc/13/19/76/172131976.db2.gz	YKBALJAHPXXISH-QMMMGPOBSA-N	0	2	292.316	2.853	50	5		CFBALN
CC(C)(C)C1=N/C(=C/c2ccc([N+](=O)[O-])c(O)c2)C(=O)O1	ZINC000129739055	278299461	/nfs/dbraw/zinc/29/94/61/278299461.db2.gz	OPCFFZPZTFKAMW-RMKNXTFCSA-N	0	2	290.275	2.643	50	5		CFBALN
O=c1c2ccccc2[nH]c(O)c1-c1ccccc1[N+](=O)[O-]	ZINC000013556684	372032651	/nfs/dbraw/zinc/03/26/51/372032651.db2.gz	VBCHUGNMPRAFCZ-UHFFFAOYSA-N	0	2	282.255	2.809	50	5		CFBALN
Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1	ZINC000035307620	372547426	/nfs/dbraw/zinc/54/74/26/372547426.db2.gz	NYMKXLNHBUPMSU-UHFFFAOYSA-N	0	2	272.260	2.861	50	5		CFBALN
COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1	ZINC000035307875	172120926	/nfs/dbraw/zinc/12/09/26/172120926.db2.gz	OYAMHTNFSNCPSL-UHFFFAOYSA-N	0	2	288.259	2.561	50	5		CFBALN
C[C@@H]1CC[C@@H](CCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)O1	ZINC000155957165	188236943	/nfs/dbraw/zinc/23/69/43/188236943.db2.gz	MHNLACKJFUCMJX-KOLCDFICSA-N	0	2	294.307	2.587	50	5		CFBALN
C[C@H]1CC[C@H](CCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)O1	ZINC000155956982	188237259	/nfs/dbraw/zinc/23/72/59/188237259.db2.gz	MHNLACKJFUCMJX-GXSJLCMTSA-N	0	2	294.307	2.587	50	5		CFBALN
CC(C)COC(=O)Nc1cc([N+](=O)[O-])ccc1O	ZINC000075253089	374472159	/nfs/dbraw/zinc/47/21/59/374472159.db2.gz	QYQDMJGTNFIOSR-UHFFFAOYSA-N	0	2	254.242	2.505	50	5		CFBALN
O=C(Nc1ccsc1)c1ccc([N+](=O)[O-])c(O)c1	ZINC000072294991	176362864	/nfs/dbraw/zinc/36/28/64/176362864.db2.gz	YXUHTGLNNHIXCS-UHFFFAOYSA-N	0	2	264.262	2.614	50	5		CFBALN
O=C(Nc1cc([N+](=O)[O-])ccc1O)Oc1ccccc1	ZINC000036643813	372584625	/nfs/dbraw/zinc/58/46/25/372584625.db2.gz	WIRXCDSJQPELHN-UHFFFAOYSA-N	0	2	274.232	2.911	50	5		CFBALN
COc1ccc(C2=NO[C@@H](c3ccccc3)C2[N+](=O)[O-])cc1	ZINC000005320756	346211402	/nfs/dbraw/zinc/21/14/02/346211402.db2.gz	HVEUNYIMIPDGQV-HOTGVXAUSA-N	0	2	298.298	2.816	50	5		CFBALN
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(F)cc1	ZINC000000168586	371548422	/nfs/dbraw/zinc/54/84/22/371548422.db2.gz	VOWSWSRNOUJIIW-UHFFFAOYSA-N	0	2	296.279	2.535	50	5		CFBALN
O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccccc2F)c1	ZINC000003581244	371810261	/nfs/dbraw/zinc/81/02/61/371810261.db2.gz	YDJBIDJUDICSBA-UHFFFAOYSA-N	0	2	296.279	2.535	50	5		CFBALN
O=C(Nc1ccccc1)c1ccc(O)c([N+](=O)[O-])c1	ZINC000016134038	372099641	/nfs/dbraw/zinc/09/96/41/372099641.db2.gz	VEOWLACURHLIGW-UHFFFAOYSA-N	0	2	258.233	2.553	50	5		CFBALN
Cc1c(NS(=O)(=O)c2cccs2)cccc1[N+](=O)[O-]	ZINC000017024510	372126173	/nfs/dbraw/zinc/12/61/73/372126173.db2.gz	PRBBSNMFNLKZOB-UHFFFAOYSA-N	0	2	298.345	2.766	50	5		CFBALN
O=C1Nc2ccccc2/C1=C/c1ccc(O)c([N+](=O)[O-])c1	ZINC000035305215	372547912	/nfs/dbraw/zinc/54/79/12/372547912.db2.gz	DSBYPNVFRAFCAS-XFFZJAGNSA-N	0	2	282.255	2.793	50	5		CFBALN
CC1CCC(C)(NC(=O)c2cccc(O)c2[N+](=O)[O-])CC1	ZINC000253418477	281715418	/nfs/dbraw/zinc/71/54/18/281715418.db2.gz	SEAVOTUBUVEWCC-UHFFFAOYSA-N	0	2	292.335	2.999	50	5		CFBALN
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1	ZINC000035981182	303999436	/nfs/dbraw/zinc/99/94/36/303999436.db2.gz	ZOLOJPCIOZTJGZ-UHFFFAOYSA-N	0	2	258.233	2.553	50	5		CFBALN
O=C(Nc1ccccc1)c1ccc([N+](=O)[O-])c(O)c1	ZINC000035336484	304007908	/nfs/dbraw/zinc/00/79/08/304007908.db2.gz	FLPGAVGGGMXAKQ-UHFFFAOYSA-N	0	2	258.233	2.553	50	5		CFBALN
C[C@@H]1CC[C@H](CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)O1	ZINC000089541174	374920782	/nfs/dbraw/zinc/92/07/82/374920782.db2.gz	JSBVILYCASBNOQ-MWLCHTKSSA-N	0	2	294.307	2.587	50	5		CFBALN
O=[N+]([O-])c1cc(F)ccc1NS(=O)(=O)c1ccccc1	ZINC000070269158	304800974	/nfs/dbraw/zinc/80/09/74/304800974.db2.gz	WWBPODJRHUPGBR-UHFFFAOYSA-N	0	2	296.279	2.535	50	5		CFBALN
Cc1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000000284021	371578122	/nfs/dbraw/zinc/57/81/22/371578122.db2.gz	WZVJTWZIBUBLFT-UHFFFAOYSA-N	0	2	292.316	2.704	50	5		CFBALN
C[C@@H]1CC[C@@H](CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)O1	ZINC000089541178	374921286	/nfs/dbraw/zinc/92/12/86/374921286.db2.gz	JSBVILYCASBNOQ-KOLCDFICSA-N	0	2	294.307	2.587	50	5		CFBALN
CCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1	ZINC000097237030	375545426	/nfs/dbraw/zinc/54/54/26/375545426.db2.gz	CCBORIUNEAAKII-UHFFFAOYSA-N	0	2	286.287	2.967	50	5		CFBALN
Cc1cccc(N(C)C(=O)c2cccc(O)c2[N+](=O)[O-])c1	ZINC000253418177	383457850	/nfs/dbraw/zinc/45/78/50/383457850.db2.gz	LSQNCPBAIWZDLI-UHFFFAOYSA-N	0	2	286.287	2.885	50	5		CFBALN
CC(C)(C)C1=N/C(=C\c2ccc([N+](=O)[O-])c(O)c2)C(=O)O1	ZINC000230198700	348205220	/nfs/dbraw/zinc/20/52/20/348205220.db2.gz	OPCFFZPZTFKAMW-TWGQIWQCSA-N	0	2	290.275	2.643	50	5		CFBALN
O=c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1-c1ccccc1	ZINC000003845641	371817934	/nfs/dbraw/zinc/81/79/34/371817934.db2.gz	FDAVFKZPGQEGDX-UHFFFAOYSA-N	0	2	281.271	2.736	50	5	in-vitro	CFBALN
Cc1cc(C)c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)o1	ZINC000166158151	379052524	/nfs/dbraw/zinc/05/25/24/379052524.db2.gz	MRXDDJNBGYUOST-UHFFFAOYSA-N	0	2	276.248	2.763	50	5		CFBALN
C[C@@H]1CC[C@H](CCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)O1	ZINC000155956869	188236872	/nfs/dbraw/zinc/23/68/72/188236872.db2.gz	MHNLACKJFUCMJX-MWLCHTKSSA-N	0	2	294.307	2.587	50	5		CFBALN
O=C(NCCC1=CCCC1)c1ccc([N+](=O)[O-])c(O)c1	ZINC000158196212	188362864	/nfs/dbraw/zinc/36/28/64/188362864.db2.gz	ZXOUKHLEEIBIKH-UHFFFAOYSA-N	0	2	276.292	2.531	50	5		CFBALN
Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000000102604	371531471	/nfs/dbraw/zinc/53/14/71/371531471.db2.gz	CWUDNULMFSYIND-UHFFFAOYSA-N	0	2	292.316	2.704	50	5		CFBALN
O=Cc1cc(Cc2ccccc2)cc([N+](=O)[O-])c1O	ZINC000055425415	373552165	/nfs/dbraw/zinc/55/21/65/373552165.db2.gz	RKJXVCLOGNLZOI-UHFFFAOYSA-N	0	2	257.245	2.704	50	5		CFBALN
CN(C)c1ccccc1NCc1ccc(O)c([N+](=O)[O-])c1	ZINC000095978115	185051665	/nfs/dbraw/zinc/05/16/65/185051665.db2.gz	BTDKUUAOKIXOCB-UHFFFAOYSA-N	0	2	287.319	2.979	50	5		CFBALN
O=C1CC(c2ccccc2)=NN1c1cccc([N+](=O)[O-])c1	ZINC000101753109	347715958	/nfs/dbraw/zinc/71/59/58/347715958.db2.gz	KINIEOJFTNJCAZ-UHFFFAOYSA-N	0	2	281.271	2.736	50	5		CFBALN
O=C(CCC(F)(F)F)Nc1cc([N+](=O)[O-])ccc1O	ZINC000092546446	375121690	/nfs/dbraw/zinc/12/16/90/375121690.db2.gz	XXEKRLIAAQRCOK-UHFFFAOYSA-N	0	2	278.186	2.581	50	5		CFBALN
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(Cl)cn1	ZINC000092546516	375122184	/nfs/dbraw/zinc/12/21/84/375122184.db2.gz	SJBRPWKMCVTGPC-UHFFFAOYSA-N	0	2	293.666	2.601	50	5		CFBALN
C/C(=C\c1ccc([N+](=O)[O-])c(O)c1)c1cnccn1	ZINC000221884825	382799735	/nfs/dbraw/zinc/79/97/35/382799735.db2.gz	FZJPHQZAZBSNKE-RMKNXTFCSA-N	0	2	257.249	2.651	50	5		CFBALN
O=C(CCCn1cccc1)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000166120946	323631108	/nfs/dbraw/zinc/63/11/08/323631108.db2.gz	VDXWNUOVFMPDFO-UHFFFAOYSA-N	0	2	289.291	2.521	50	5		CFBALN
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc(F)c1	ZINC000002483710	371727242	/nfs/dbraw/zinc/72/72/42/371727242.db2.gz	BSVGHLRECRPKNG-UHFFFAOYSA-N	0	2	296.279	2.535	50	5		CFBALN
O=[N+]([O-])c1c2c(cc(Br)c1O)CCC2	ZINC000091301321	304798328	/nfs/dbraw/zinc/79/83/28/304798328.db2.gz	UFMMRKGHDCFWAB-UHFFFAOYSA-N	0	2	258.071	2.552	50	5		CFBALN
CCC(=O)c1cc(Br)cc([N+](=O)[O-])c1O	ZINC000002572300	371738472	/nfs/dbraw/zinc/73/84/72/371738472.db2.gz	SZOPMNBEGDCJSP-UHFFFAOYSA-N	0	2	274.070	2.656	50	5		CFBALN
O=C(/C=C/c1ccccc1)Nc1cc([N+](=O)[O-])ccc1O	ZINC000034715226	372513553	/nfs/dbraw/zinc/51/35/53/372513553.db2.gz	XFFXOTGMZWUHJK-RMKNXTFCSA-N	0	2	284.271	2.952	50	5		CFBALN
CN(C(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(F)cc1	ZINC000097097020	375516647	/nfs/dbraw/zinc/51/66/47/375516647.db2.gz	PHFOIOWVABMZHL-UHFFFAOYSA-N	0	2	290.250	2.716	50	5		CFBALN
CN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)c2ccccc21	ZINC000033474328	289790396	/nfs/dbraw/zinc/79/03/96/289790396.db2.gz	QAJJDCWDVBJUJO-XYOKQWHBSA-N	0	2	296.282	2.817	50	5		CFBALN
O=[N+]([O-])c1ccc(O)c(-c2nc3ccccc3[nH]2)c1	ZINC000005351798	304803592	/nfs/dbraw/zinc/80/35/92/304803592.db2.gz	UGHSPDKSELQUHP-UHFFFAOYSA-N	0	2	255.233	2.844	50	5		CFBALN
O=c1nc(-c2ccc([N+](=O)[O-])s2)[nH]c2ccsc21	ZINC000097227799	304813594	/nfs/dbraw/zinc/81/35/94/304813594.db2.gz	DLDMTDOPWTULLC-UHFFFAOYSA-N	0	2	279.302	2.621	50	5		CFBALN
Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccs1	ZINC000000611583	371643704	/nfs/dbraw/zinc/64/37/04/371643704.db2.gz	OPNVSULASDKPKS-UHFFFAOYSA-N	0	2	298.345	2.766	50	5		CFBALN
O=C1CC(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1	ZINC000018217717	372145784	/nfs/dbraw/zinc/14/57/84/372145784.db2.gz	HLGVWDSKISYREV-UHFFFAOYSA-N	0	2	281.271	2.736	50	5	in-vivo	CFBALN
O=[N+]([O-])c1ccc(O)c(-c2cc([N+](=O)[O-])ccc2O)c1	ZINC000036019045	372553897	/nfs/dbraw/zinc/55/38/97/372553897.db2.gz	FRXHXPOXUZYRII-UHFFFAOYSA-N	0	2	276.204	2.581	50	5		CFBALN
COc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1	ZINC000035981235	372554039	/nfs/dbraw/zinc/55/40/39/372554039.db2.gz	JJUXSJDITVSVSN-UHFFFAOYSA-N	0	2	288.259	2.561	50	5		CFBALN
Cc1cc(NS(=O)(=O)c2cccs2)ccc1[N+](=O)[O-]	ZINC000093930495	375331090	/nfs/dbraw/zinc/33/10/90/375331090.db2.gz	WLDLZUWZYFCODK-UHFFFAOYSA-N	0	2	298.345	2.766	50	5		CFBALN
O=[N+]([O-])c1ccc(F)cc1NS(=O)(=O)c1ccccc1	ZINC000095627754	375462759	/nfs/dbraw/zinc/46/27/59/375462759.db2.gz	ZMPTZZIUHAHLGH-UHFFFAOYSA-N	0	2	296.279	2.535	50	5		CFBALN
Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1	ZINC000035307623	172120884	/nfs/dbraw/zinc/12/08/84/172120884.db2.gz	BLFDFQABHWVTFW-UHFFFAOYSA-N	0	2	272.260	2.861	50	5		CFBALN
O=C(Nc1cc([N+](=O)[O-])ccc1O)C1CCCCC1	ZINC000035981216	372554655	/nfs/dbraw/zinc/55/46/55/372554655.db2.gz	BXFRIHQLDIXZGT-UHFFFAOYSA-N	0	2	264.281	2.819	50	5		CFBALN
COC(=O)c1cc(=O)c2cc([N+](=O)[O-])c3ccccc3c2[nH]1	ZINC000071772796	292002536	/nfs/dbraw/zinc/00/25/36/292002536.db2.gz	JEIMVLIDZDQYAD-UHFFFAOYSA-N	0	2	298.254	2.788	50	5		CFBALN
O=C(NC1CCCCCC1)c1ccc([N+](=O)[O-])c(O)c1	ZINC000012615548	371978430	/nfs/dbraw/zinc/97/84/30/371978430.db2.gz	XNRGYBUCSFXOBK-UHFFFAOYSA-N	0	2	278.308	2.753	50	5		CFBALN
O=c1c2ccccc2sc2ccccc2c1=NO	ZINC000252675683	383427728	/nfs/dbraw/zinc/42/77/28/383427728.db2.gz	UTCJMLVLJKFWAC-UHFFFAOYSA-N	0	2	255.298	2.705	50	5		CFBALN
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccs1	ZINC000013955104	372054389	/nfs/dbraw/zinc/05/43/89/372054389.db2.gz	QYAFWPMMGPXDKH-UHFFFAOYSA-N	0	2	264.262	2.614	50	5		CFBALN
C[C@H]1CC[C@H](CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)O1	ZINC000089541176	374921041	/nfs/dbraw/zinc/92/10/41/374921041.db2.gz	JSBVILYCASBNOQ-GXSJLCMTSA-N	0	2	294.307	2.587	50	5		CFBALN
COc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1	ZINC000036382470	372576784	/nfs/dbraw/zinc/57/67/84/372576784.db2.gz	HFFNEESWDRNIKS-UHFFFAOYSA-N	0	2	288.259	2.561	50	5		CFBALN
O=C(NCC1CCCCC1)c1ccc([N+](=O)[O-])c(O)c1	ZINC000035308073	172121628	/nfs/dbraw/zinc/12/16/28/172121628.db2.gz	SXWHJLXEZUZHDE-UHFFFAOYSA-N	0	2	278.308	2.611	50	5		CFBALN
Cc1ccc(S(=O)(=O)Nc2ccccc2[N+](=O)[O-])cc1	ZINC000003991721	301697976	/nfs/dbraw/zinc/69/79/76/301697976.db2.gz	AEEARKNYRMBNSW-UHFFFAOYSA-N	0	2	292.316	2.704	50	5		CFBALN