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(Nc1ccc([N+](=O)[O-])cc1[O-])[C@H]1CC1(c1ccccc1)c1ccccc1	ZINC000005092007	1086521711	/nfs/dbraw/zinc/52/17/11/1086521711.db2.gz	QHUQDMDYAONQLP-GOSISDBHSA-N	-1	0	374.396	4.245	50	5		FIBARM
O=C([O-])c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)C1CCCC1	ZINC000010031506	204390056	/nfs/dbraw/zinc/39/00/56/204390056.db2.gz	BQUURBBXLJTOKV-UHFFFAOYSA-N	-1	0	360.391	4.150	50	5		FIBARM
O=C1NC(=S)SC1=Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	ZINC000015723664	571110087	/nfs/dbraw/zinc/11/00/87/571110087.db2.gz	DPSAGOHGVAVHML-GHXNOFRVSA-N	-1	0	359.388	4.111	50	5		FIBARM
O=C([O-])c1cc([N+](=O)[O-])c(Nc2cccc3ccccc32)c([N+](=O)[O-])c1	ZINC000003877749	204113350	/nfs/dbraw/zinc/11/33/50/204113350.db2.gz	BDGZNKMKXGFBIU-UHFFFAOYSA-N	-1	0	353.290	4.098	50	5		FIBARM
O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1	ZINC000104228700	206000279	/nfs/dbraw/zinc/00/02/79/206000279.db2.gz	DNBALKJUQVCBSD-UHFFFAOYSA-N	-1	0	373.108	4.462	50	5		FIBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(Nc2ccccc2)cc1	ZINC000000677809	568068437	/nfs/dbraw/zinc/06/84/37/568068437.db2.gz	SLPIRBDAKZGVMI-UHFFFAOYSA-N	-1	0	369.402	4.139	50	5		FIBARM
COc1ccc2cc(/C=C/c3ncc([N+](=O)[O-])cc3C(=O)[O-])ccc2c1	ZINC000039983761	205048917	/nfs/dbraw/zinc/04/89/17/205048917.db2.gz	GDMQESSBEIIROC-XVNBXDOJSA-N	-1	0	350.330	4.020	50	5		FIBARM
Cc1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3cccc([N+](=O)[O-])c3)n2)cc1	ZINC000020492288	571329797	/nfs/dbraw/zinc/32/97/97/571329797.db2.gz	RBWPRZYDOLKBNG-UHFFFAOYSA-N	-1	0	374.356	4.207	50	5		FIBARM
CCc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c3ccccc23)cc1	ZINC000004134562	204123382	/nfs/dbraw/zinc/12/33/82/204123382.db2.gz	YGIJKCWKBQVEKT-UHFFFAOYSA-N	-1	0	356.403	4.111	50	5		FIBARM
O=C([O-])c1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-c2ccccc2)cc1	ZINC000044126440	205107086	/nfs/dbraw/zinc/10/70/86/205107086.db2.gz	DVRBAUJEVSMHGI-UHFFFAOYSA-N	-1	0	362.341	4.212	50	5		FIBARM
O=C([O-])c1ccccc1C(=O)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000000753075	568168668	/nfs/dbraw/zinc/16/86/68/568168668.db2.gz	TUZISGYKCGKMAS-UHFFFAOYSA-N	-1	0	362.341	4.212	50	5		FIBARM
Cc1c2oc3c(nc4c(cnn4C)c3-c3ccc(C(=O)[O-])cc3)c2ccc1O	ZINC000253408763	571312469	/nfs/dbraw/zinc/31/24/69/571312469.db2.gz	LAXSBGLWENUYLG-UHFFFAOYSA-N	-1	0	373.368	4.247	50	5	biogenic	FIBARM
O=c1cc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)c2ccc([O-])cc2o1	ZINC000001088383	571146188	/nfs/dbraw/zinc/14/61/88/571146188.db2.gz	FXJBWRCEISICJJ-UHFFFAOYSA-N	-1	0	352.129	4.381	50	5	biogenic	FIBARM
CC(C)CCOc1ccc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])cc1	ZINC000006651452	204258558	/nfs/dbraw/zinc/25/85/58/204258558.db2.gz	PRRUNXABCVLDEV-VMPITWQZSA-N	-1	0	356.378	4.283	50	5		FIBARM
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000004823281	206239135	/nfs/dbraw/zinc/23/91/35/206239135.db2.gz	BTXGXNSBEUYGGC-ZZXKWVIFSA-N	-1	0	353.161	4.259	50	5		FIBARM
O=C(Nc1nnc(-c2ccccc2)s1)c1ccc([N+](=O)[O-])c(Cl)c1	ZINC000000806010	568269625	/nfs/dbraw/zinc/26/96/25/568269625.db2.gz	DTQHQPYQOCFHCK-UHFFFAOYSA-N	-1	0	360.782	4.019	50	5		FIBARM
O=C([O-])c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)[C@H]1CC=CCC1	ZINC000012600646	571189885	/nfs/dbraw/zinc/18/98/85/571189885.db2.gz	DHWDEFYGPCSOMN-NSHDSACASA-N	-1	0	372.402	4.316	50	5		FIBARM
O=[N+]([O-])c1cccc(NC(=S)Nc2cc(Cl)c([O-])c(Cl)c2)c1	ZINC000017073885	571274821	/nfs/dbraw/zinc/27/48/21/571274821.db2.gz	QKQDYYGSNQVPFO-UHFFFAOYSA-N	-1	0	358.206	4.416	50	5		FIBARM
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3ccccc3c2)ccc1Cl	ZINC000005652777	206240283	/nfs/dbraw/zinc/24/02/83/206240283.db2.gz	SBNRBOSJIGSENC-UHFFFAOYSA-N	-1	0	362.794	4.202	50	5		FIBARM
O=C([O-])c1cc(-c2ccc([N+](=O)[O-])cc2)ccc1C(=O)Nc1ccccc1	ZINC000009592359	204375856	/nfs/dbraw/zinc/37/58/56/204375856.db2.gz	UXJZRVLEIBTDGK-UHFFFAOYSA-N	-1	0	362.341	4.212	50	5		FIBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)CCCC4)c1	ZINC000004035982	206999017	/nfs/dbraw/zinc/99/90/17/206999017.db2.gz	FCDHPWRMBUGJRP-UHFFFAOYSA-N	-1	0	372.402	4.021	50	5		FIBARM
Cc1ccc(C)c(-c2nnc([N-]C(=O)c3cc(Cl)ccc3[N+](=O)[O-])o2)c1	ZINC000004479500	570796206	/nfs/dbraw/zinc/79/62/06/570796206.db2.gz	SKUJAUXQUOVCAS-UHFFFAOYSA-N	-1	0	372.768	4.167	50	5		FIBARM
O=C([O-])c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1cccs1	ZINC000009479935	571110778	/nfs/dbraw/zinc/11/07/78/571110778.db2.gz	VGMWZGSBSNFMLS-UHFFFAOYSA-N	-1	0	374.399	4.335	50	5		FIBARM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc3ccccc32)ccc1Cl	ZINC000005260284	209503732	/nfs/dbraw/zinc/50/37/32/209503732.db2.gz	MNTJRVCHRZTPMA-UHFFFAOYSA-N	-1	0	362.794	4.202	50	5		FIBARM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1-c1ccccc1	ZINC000005065541	207078162	/nfs/dbraw/zinc/07/81/62/207078162.db2.gz	KYTXETZJXWGKAL-UHFFFAOYSA-N	-1	0	368.414	4.371	50	5		FIBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2)cc1	ZINC000000712789	568120058	/nfs/dbraw/zinc/12/00/58/568120058.db2.gz	INGUMVZZOPPYIJ-UHFFFAOYSA-N	-1	0	354.387	4.063	50	5		FIBARM
Cc1c([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-]	ZINC000001217732	571166452	/nfs/dbraw/zinc/16/64/52/571166452.db2.gz	JDAFNABZTJMZCL-UHFFFAOYSA-N	-1	0	361.206	4.011	50	5		FIBARM
CC(C)c1ccc([N-]S(=O)(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)cc1	ZINC000020491960	571329883	/nfs/dbraw/zinc/32/98/83/571329883.db2.gz	ZTHCSOFPRZYPRJ-UHFFFAOYSA-N	-1	0	359.407	4.000	50	5		FIBARM
N=c1oc2cc([O-])ccc2cc1-c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	ZINC000004795890	207050002	/nfs/dbraw/zinc/05/00/02/207050002.db2.gz	BNVNZGPXILVVIH-UHFFFAOYSA-N	-1	0	365.370	4.317	50	5		FIBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)oc2ccccc23)c1	ZINC000004148012	207002581	/nfs/dbraw/zinc/00/25/81/207002581.db2.gz	YYKBYQSVEJUYAN-UHFFFAOYSA-N	-1	0	368.370	4.295	50	5		FIBARM
Cc1ccc(C(=O)C[C@@H](SCC(=O)[O-])c2ccc([N+](=O)[O-])cc2)cc1	ZINC000001793594	209392483	/nfs/dbraw/zinc/39/24/83/209392483.db2.gz	KCIJPNGLCMDMQX-QGZVFWFLSA-N	-1	0	359.403	4.035	50	5		FIBARM
Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c([N+](=O)[O-])c1	ZINC000004599871	207032277	/nfs/dbraw/zinc/03/22/77/207032277.db2.gz	TYBUWQJGAXDGHY-UHFFFAOYSA-N	-1	0	361.206	4.011	50	5		FIBARM
O=c1c2ccc([O-])cc2oc(C(F)(F)F)c1Oc1ccc([N+](=O)[O-])cc1	ZINC000002576214	571339065	/nfs/dbraw/zinc/33/90/65/571339065.db2.gz	XGDYVPBQAKQWEI-UHFFFAOYSA-N	-1	0	367.235	4.218	50	5		FIBARM
O=C(Nc1nnc(-c2cccs2)s1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000002763229	571340802	/nfs/dbraw/zinc/34/08/02/571340802.db2.gz	RTTABQZMLXASSQ-UHFFFAOYSA-N	-1	0	366.811	4.081	50	5		FIBARM
O=C1C(=C([O-])c2ccccc2)CCC[C@@H]1Sc1ccccc1[N+](=O)[O-]	ZINC000003227034	571345713	/nfs/dbraw/zinc/34/57/13/571345713.db2.gz	GTDHNSRJYJDPCM-PBHICJAKSA-N	-1	0	355.415	4.308	50	5		FIBARM
Cc1ccc(Cl)cc1Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000104224499	209260114	/nfs/dbraw/zinc/26/01/14/209260114.db2.gz	CESLGKHYJOZAKG-UHFFFAOYSA-N	-1	0	352.690	4.117	50	5		FIBARM
Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000004662683	207035228	/nfs/dbraw/zinc/03/52/28/207035228.db2.gz	AXNUEXXEQGQWPA-UHFFFAOYSA-N	-1	0	361.206	4.011	50	5	in-vitro	FIBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1	ZINC000004865468	207057763	/nfs/dbraw/zinc/05/77/63/207057763.db2.gz	AXJXNIMOXDYGFR-UHFFFAOYSA-N	-1	0	354.387	4.063	50	5		FIBARM
O=c1oc2cc([O-])c([N+](=O)[O-])cc2cc1-c1nc(-c2ccccc2)cs1	ZINC000039383889	208209999	/nfs/dbraw/zinc/20/99/99/208209999.db2.gz	GBJCLYYQUHPLIC-UHFFFAOYSA-N	-1	0	366.354	4.197	50	5		FIBARM
CCc1ccc(S(=O)(=O)[N-]c2c3ccccc3ccc2[N+](=O)[O-])cc1	ZINC000005090916	570583783	/nfs/dbraw/zinc/58/37/83/570583783.db2.gz	JRUMTWVYHVYFFA-UHFFFAOYSA-N	-1	0	356.403	4.111	50	5		FIBARM
Cc1cccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3cccc([N+](=O)[O-])c3)n2)c1	ZINC000020492301	571329800	/nfs/dbraw/zinc/32/98/00/571329800.db2.gz	NSRQFIISHVQPOK-UHFFFAOYSA-N	-1	0	374.356	4.207	50	5		FIBARM
O=c1oc2cc([O-])ccc2cc1-c1csc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000002957575	571342943	/nfs/dbraw/zinc/34/29/43/571342943.db2.gz	ITYUTXMCXDAXLU-UHFFFAOYSA-N	-1	0	366.354	4.197	50	5		FIBARM
O=C1C(=C([O-])c2ccccc2)CCC[C@H]1Sc1ccccc1[N+](=O)[O-]	ZINC000003227032	571345705	/nfs/dbraw/zinc/34/57/05/571345705.db2.gz	GTDHNSRJYJDPCM-RHSMWYFYSA-N	-1	0	355.415	4.308	50	5		FIBARM
Cc1c(O[C@@H](C(=O)[O-])c2ccccc2)ccc2c3ccccc3c(=O)oc12	ZINC000000622178	570438842	/nfs/dbraw/zinc/43/88/42/570438842.db2.gz	NFQYAASIUHLEDX-HXUWFJFHSA-N	-1	0	360.365	4.459	50	5		FIBARM
O=C(c1ccc([N+](=O)[O-])c([O-])c1)N(Cc1cccs1)Cc1cccs1	ZINC000012852678	571128976	/nfs/dbraw/zinc/12/89/76/571128976.db2.gz	KBDJYLLFNQLHQD-UHFFFAOYSA-N	-1	0	374.443	4.266	50	5		FIBARM
O=C([O-])c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccccc1	ZINC000012601109	571189835	/nfs/dbraw/zinc/18/98/35/571189835.db2.gz	ZCDCCOXLJRDPCG-UHFFFAOYSA-N	-1	0	368.370	4.274	50	5		FIBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1	ZINC000001116180	219372463	/nfs/dbraw/zinc/37/24/63/219372463.db2.gz	VHWXHOVLDPUYSP-UHFFFAOYSA-N	-1	0	370.386	4.188	50	5		FIBARM
CCCCc1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000104233983	209260129	/nfs/dbraw/zinc/26/01/29/209260129.db2.gz	DUXRNIHIMLJUOR-UHFFFAOYSA-N	-1	0	360.326	4.497	50	5		FIBARM
CC(=O)Nc1cccc(-c2csc([N-]c3ccccc3[N+](=O)[O-])n2)c1	ZINC000005065201	207077853	/nfs/dbraw/zinc/07/78/53/207077853.db2.gz	HOYDLYUFRVOKBZ-UHFFFAOYSA-N	-1	0	354.391	4.420	50	5		FIBARM
O=c1oc2cc([O-])ccc2cc1-c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	ZINC000000846068	571092687	/nfs/dbraw/zinc/09/26/87/571092687.db2.gz	NBPTWJJHWLUTAB-UHFFFAOYSA-N	-1	0	366.354	4.197	50	5		FIBARM
Cc1c(-c2ccc(C)cc2)[n-]n2c1nc(-c1ccc([N+](=O)[O-])cc1)cc2=O	ZINC000022147227	571152889	/nfs/dbraw/zinc/15/28/89/571152889.db2.gz	YCPAJZCSIQNNGQ-UHFFFAOYSA-N	-1	0	360.373	4.294	50	5		FIBARM
O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1	ZINC000104229275	210108068	/nfs/dbraw/zinc/10/80/68/210108068.db2.gz	KOPZKIAQJZCVME-UHFFFAOYSA-N	-1	0	372.215	4.174	50	5		FIBARM
O=C([O-])c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)[C@@H]1CC=CCC1	ZINC000012600648	571189783	/nfs/dbraw/zinc/18/97/83/571189783.db2.gz	DHWDEFYGPCSOMN-LLVKDONJSA-N	-1	0	372.402	4.316	50	5		FIBARM
O=C([O-])c1cc(-c2cccc([N+](=O)[O-])c2)nc2onc(-c3ccccc3)c21	ZINC000036617499	571257820	/nfs/dbraw/zinc/25/78/20/571257820.db2.gz	GOEWKRAQWCOXDA-UHFFFAOYSA-N	-1	0	361.313	4.163	50	5		FIBARM
Cc1c(OCc2ccc(C(=O)[O-])o2)ccc2c3ccccc3c(=O)oc12	ZINC000000526380	210225740	/nfs/dbraw/zinc/22/57/40/210225740.db2.gz	QSCWKDBBGKPZDD-UHFFFAOYSA-N	-1	0	350.326	4.125	50	5	biogenic	FIBARM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000000786485	210271561	/nfs/dbraw/zinc/27/15/61/210271561.db2.gz	OFVGKXFXLBWMEA-UHFFFAOYSA-N	-1	0	361.206	4.011	50	5		FIBARM
CC(=O)Nc1ccc(-c2csc([N-]c3ccccc3[N+](=O)[O-])n2)cc1	ZINC000005064006	570580773	/nfs/dbraw/zinc/58/07/73/570580773.db2.gz	AZARLNSDVFETPM-UHFFFAOYSA-N	-1	0	354.391	4.420	50	5		FIBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc(Oc3ccccc3)c2)c1	ZINC000007141337	571262439	/nfs/dbraw/zinc/26/24/39/571262439.db2.gz	IDTMLKOMWUEGTC-UHFFFAOYSA-N	-1	0	370.386	4.188	50	5		FIBARM
O=C([N-]c1c(F)c(F)c(F)c(F)c1F)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000002749743	571340745	/nfs/dbraw/zinc/34/07/45/571340745.db2.gz	JMYRVJKHGXRTEN-UHFFFAOYSA-N	-1	0	366.629	4.196	50	5		FIBARM
COc1ccc2cc(/C=C\c3ncc([N+](=O)[O-])cc3C(=O)[O-])ccc2c1	ZINC000096893595	210240281	/nfs/dbraw/zinc/24/02/81/210240281.db2.gz	GDMQESSBEIIROC-CLTKARDFSA-N	-1	0	350.330	4.020	50	5		FIBARM
Cc1noc(/C=C/c2ccc(-c3cc(C(=O)[O-])ccc3C)o2)c1[N+](=O)[O-]	ZINC000009295465	210825181	/nfs/dbraw/zinc/82/51/81/210825181.db2.gz	GDIZFQAGSNHPBG-SOFGYWHQSA-N	-1	0	354.318	4.328	50	5		FIBARM
O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2cccc(Cl)c2Cl)c([N+](=O)[O-])c1	ZINC000104225863	222352325	/nfs/dbraw/zinc/35/23/25/222352325.db2.gz	NOKWYTXDQDBJGT-UHFFFAOYSA-N	-1	0	373.108	4.462	50	5		FIBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccccc1Oc1ccccc1	ZINC000005579554	570677240	/nfs/dbraw/zinc/67/72/40/570677240.db2.gz	RYBGJIIDADXNQS-UHFFFAOYSA-N	-1	0	370.386	4.188	50	5		FIBARM
Cc1ccc(C(=O)C[C@H](SCC(=O)[O-])c2ccc([N+](=O)[O-])cc2)cc1	ZINC000001793593	219418534	/nfs/dbraw/zinc/41/85/34/219418534.db2.gz	KCIJPNGLCMDMQX-KRWDZBQOSA-N	-1	0	359.403	4.035	50	5		FIBARM
Cc1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])cc1C	ZINC000005602294	570680223	/nfs/dbraw/zinc/68/02/23/570680223.db2.gz	HSXQXDYHLHOIAD-UHFFFAOYSA-N	-1	0	356.403	4.166	50	5		FIBARM
C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000095971399	571333236	/nfs/dbraw/zinc/33/32/36/571333236.db2.gz	LBOCBYXJNVMRJP-VIFPVBQESA-N	-1	0	369.204	4.440	50	5		FIBARM
Cc1c(O[C@H](C(=O)[O-])c2ccccc2)ccc2c3ccccc3c(=O)oc12	ZINC000000622175	210251659	/nfs/dbraw/zinc/25/16/59/210251659.db2.gz	NFQYAASIUHLEDX-FQEVSTJZSA-N	-1	0	360.365	4.459	50	5		FIBARM
COc1ccc(-c2csc([N-]c3ccccc3[N+](=O)[O-])n2)cc1OC	ZINC000005065143	210597372	/nfs/dbraw/zinc/59/73/72/210597372.db2.gz	SIJCFTKVMQMPTQ-UHFFFAOYSA-N	-1	0	357.391	4.479	50	5		FIBARM
Cc1c2oc3c(nc4n[nH]cc4c3-c3ccc(C(=O)[O-])cc3)c2ccc1O	ZINC000218393828	568231773	/nfs/dbraw/zinc/23/17/73/568231773.db2.gz	FJERWVQUCYUJSF-UHFFFAOYSA-N	-1	0	359.341	4.237	50	5		FIBARM
CC(=O)Oc1ccc(-c2csc([N-]c3ccccc3[N+](=O)[O-])n2)cc1	ZINC000005065203	570580731	/nfs/dbraw/zinc/58/07/31/570580731.db2.gz	KJTULBDUXLRBOG-UHFFFAOYSA-N	-1	0	355.375	4.387	50	5		FIBARM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3ccccc32)c1	ZINC000003833669	571352683	/nfs/dbraw/zinc/35/26/83/571352683.db2.gz	NHWMBLDYQLPZHH-UHFFFAOYSA-N	-1	0	362.794	4.202	50	5		FIBARM
O=c1c2ccccc2occ1-c1c2c[nH]nc2nc2c3ccc(O)cc3oc21	ZINC000217824009	210175301	/nfs/dbraw/zinc/17/53/01/210175301.db2.gz	IZTGORFQQAALKG-UHFFFAOYSA-N	-1	0	369.336	4.336	50	5	biogenic	FIBARM
Cc1ccc(-c2[nH]nc3nc(-c4cccc([N+](=O)[O-])c4)cc(C(=O)[O-])c32)cc1	ZINC000020492131	211283560	/nfs/dbraw/zinc/28/35/60/211283560.db2.gz	GLDXGBWLOBVPBD-UHFFFAOYSA-N	-1	0	374.356	4.207	50	5		FIBARM
O=C([O-])c1ccccc1C(=O)c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1	ZINC000005093704	570583314	/nfs/dbraw/zinc/58/33/14/570583314.db2.gz	DISLBCKXFDUIBD-UHFFFAOYSA-N	-1	0	368.389	4.269	50	5		FIBARM
O=c1oc2ccc3ccccc3c2cc1-c1nc2ccc([N+](=O)[O-])cc2[n-]1	ZINC000004566817	570836914	/nfs/dbraw/zinc/83/69/14/570836914.db2.gz	DEELYHNVGYOIKD-UHFFFAOYSA-N	-1	0	357.325	4.398	50	5		FIBARM
O=C([O-])c1cc2c(cc1[N+](=O)[O-])Oc1ccc(Br)cc1C=C2	ZINC000004727569	571200187	/nfs/dbraw/zinc/20/01/87/571200187.db2.gz	BLBKLTMNJFCBOO-UHFFFAOYSA-N	-1	0	362.135	4.332	50	5		FIBARM
COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC000004582387	571308034	/nfs/dbraw/zinc/30/80/34/571308034.db2.gz	XHUDUQNFYMNSQQ-UHFFFAOYSA-N	-1	0	372.764	4.368	50	5		FIBARM
O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc([N+](=O)[O-])o1	ZINC000002745238	571340705	/nfs/dbraw/zinc/34/07/05/571340705.db2.gz	LGNQIHDYGLLFDX-UHFFFAOYSA-N	-1	0	370.748	4.325	50	5		FIBARM
O=[N+]([O-])c1ccc([O-])c(-c2cc(C(F)(F)F)nc(-c3ccccc3)n2)c1	ZINC000015885238	220170868	/nfs/dbraw/zinc/17/08/68/220170868.db2.gz	QJAVBEBOJYWTSB-UHFFFAOYSA-N	-1	0	361.279	4.443	50	5		FIBARM
O=c1oc2cc([O-])c([N+](=O)[O-])cc2cc1-c1csc(-c2ccccc2)n1	ZINC000004948949	570564528	/nfs/dbraw/zinc/56/45/28/570564528.db2.gz	UEFUTRBUMILPPN-UHFFFAOYSA-N	-1	0	366.354	4.197	50	5		FIBARM
O=C(Nc1ccc([N+](=O)[O-])cc1[O-])[C@@H]1CC1(c1ccccc1)c1ccccc1	ZINC000005092010	1086521993	/nfs/dbraw/zinc/52/19/93/1086521993.db2.gz	QHUQDMDYAONQLP-SFHVURJKSA-N	-1	0	374.396	4.245	50	5		FIBARM
O=c1cc(-c2ccc([N+](=O)[O-])cc2)nc2cc(-c3cccc(Cl)c3)[n-]n21	ZINC000107829067	1091956981	/nfs/dbraw/zinc/95/69/81/1091956981.db2.gz	YRQOJKMPHACWOW-UHFFFAOYSA-N	-1	0	366.764	4.331	50	5		FIBARM
Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21	ZINC000020491924	220328926	/nfs/dbraw/zinc/32/89/26/220328926.db2.gz	AMOJDPLJBNVSJZ-UHFFFAOYSA-N	-1	0	373.434	4.309	50	5		FIBARM
O=C([O-])Cc1ccc(Nc2c(C(=O)[O-])cnc3c4ccccc4ccc32)cc1	ZINC000005009313	570574468	/nfs/dbraw/zinc/57/44/68/570574468.db2.gz	XJNVKXLONIHLKA-UHFFFAOYSA-N	-1	0	372.380	4.457	50	5		FIBARM
CCc1ccc(/C=C(\CC(=O)[O-])c2nc3ccccc3o2)cc1[N+](=O)[O-]	ZINC000005269598	570640983	/nfs/dbraw/zinc/64/09/83/570640983.db2.gz	DQHLUWXKPXZEJI-NTEUORMPSA-N	-1	0	352.346	4.314	50	5		FIBARM
O=C(CSc1cccc2ccccc21)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000004867241	570552486	/nfs/dbraw/zinc/55/24/86/570552486.db2.gz	KWNKHVBDVCVHTB-UHFFFAOYSA-N	-1	0	354.387	4.184	50	5		FIBARM
C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000095971400	571333252	/nfs/dbraw/zinc/33/32/52/571333252.db2.gz	LBOCBYXJNVMRJP-SECBINFHSA-N	-1	0	369.204	4.440	50	5		FIBARM
O=C1C(=C([O-])c2ccccc2)CCC[C@@H]1Sc1ccccc1[N+](=O)[O-]	ZINC000003227035	571345736	/nfs/dbraw/zinc/34/57/36/571345736.db2.gz	GTDHNSRJYJDPCM-YOEHRIQHSA-N	-1	0	355.415	4.308	50	5		FIBARM
Cc1ccc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)sc2C(=O)[O-])o1	ZINC000010031504	571122270	/nfs/dbraw/zinc/12/22/70/571122270.db2.gz	DYODNJPCNSTFLW-UHFFFAOYSA-N	-1	0	372.358	4.175	50	5		FIBARM
O=[N+]([O-])c1cnc([N-]c2ccc(Cl)c(C(F)(F)F)c2)c([N+](=O)[O-])c1	ZINC000003880480	571352841	/nfs/dbraw/zinc/35/28/41/571352841.db2.gz	OUYHIKZDMWDTTL-UHFFFAOYSA-N	-1	0	362.651	4.314	50	5		FIBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)cc1	ZINC000000754146	219317891	/nfs/dbraw/zinc/31/78/91/219317891.db2.gz	XAQBXPWJWDSSSP-UHFFFAOYSA-N	-1	0	354.387	4.063	50	5		FIBARM
O=c1cc(-c2ccc([N+](=O)[O-])cc2)nc2cc(-c3ccc(Cl)cc3)[n-]n21	ZINC000005522229	219686586	/nfs/dbraw/zinc/68/65/86/219686586.db2.gz	UNNGURMHBTWKOB-UHFFFAOYSA-N	-1	0	366.764	4.331	50	5		FIBARM
O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2cc(Cl)ccc2Cl)c([N+](=O)[O-])c1	ZINC000104225868	222352405	/nfs/dbraw/zinc/35/24/05/222352405.db2.gz	CWWRMJIAEZLGPB-UHFFFAOYSA-N	-1	0	373.108	4.462	50	5		FIBARM
O=C(CSc1ccc2ccccc2c1)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000004808979	571237303	/nfs/dbraw/zinc/23/73/03/571237303.db2.gz	VLFMSYKDRMAUNA-UHFFFAOYSA-N	-1	0	354.387	4.184	50	5		FIBARM
CCc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-]	ZINC000026544362	571166423	/nfs/dbraw/zinc/16/64/23/571166423.db2.gz	HXRBHFFAUFBZPX-UHFFFAOYSA-N	-1	0	356.403	4.111	50	5		FIBARM
COc1cc(/C=C/c2ccc3cccc(OC)c3n2)c([O-])c([N+](=O)[O-])c1	ZINC000036253034	571246112	/nfs/dbraw/zinc/24/61/12/571246112.db2.gz	UFBIFZZYGWFFSD-VQHVLOKHSA-N	-1	0	352.346	4.036	50	5		FIBARM
O=[N+]([O-])c1cc(Br)cc(-c2nc3ccccc3s2)c1[O-]	ZINC000005013831	219640412	/nfs/dbraw/zinc/64/04/12/219640412.db2.gz	NUBQYHUNJBSOOS-UHFFFAOYSA-N	-1	0	351.181	4.340	50	5		FIBARM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)cc1[N+](=O)[O-]	ZINC000003832977	571352660	/nfs/dbraw/zinc/35/26/60/571352660.db2.gz	IIHUHBYFBCHVQO-UHFFFAOYSA-N	-1	0	368.414	4.371	50	5		FIBARM
O=C(C=C([O-])c1ccc([N+](=O)[O-])cc1)Cc1cc(Cl)ccc1Cl	ZINC000100889858	222256779	/nfs/dbraw/zinc/25/67/79/222256779.db2.gz	LDOAJICMPLFCCC-UHFFFAOYSA-N	-1	0	352.173	4.286	50	5		FIBARM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000005012608	570574888	/nfs/dbraw/zinc/57/48/88/570574888.db2.gz	GFZKDGOGOSTNQT-UHFFFAOYSA-N	-1	0	361.206	4.011	50	5		FIBARM
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000004134555	571049972	/nfs/dbraw/zinc/04/99/72/571049972.db2.gz	HICHPDHZZUNFIX-UHFFFAOYSA-N	-1	0	361.206	4.011	50	5		FIBARM
Cc1ccc(-c2ccc(C(=O)Nc3ccccc3C(=O)[O-])o2)cc1[N+](=O)[O-]	ZINC000009668244	571116769	/nfs/dbraw/zinc/11/67/69/571116769.db2.gz	ICFCFHCRGCMXKQ-UHFFFAOYSA-N	-1	0	366.329	4.114	50	5		FIBARM
O=C1C(=C([O-])c2ccccc2)CCC[C@H]1Sc1ccccc1[N+](=O)[O-]	ZINC000003227033	571345728	/nfs/dbraw/zinc/34/57/28/571345728.db2.gz	GTDHNSRJYJDPCM-WMLDXEAASA-N	-1	0	355.415	4.308	50	5		FIBARM