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(c1ccco1)C1=NO[C@@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C([O-])=C12	ZINC000100355148	525213134	/nfs/dbraw/zinc/21/31/34/525213134.db2.gz	NONCNMRPGNJYJQ-FZMZJTMJSA-N	-1	1	355.262	1.315	50	5		FDBAMM
O=C(Cc1sc(N2CCOCC2)nc1[O-])Nc1cccc([N+](=O)[O-])c1	ZINC000002646348	204048830	/nfs/dbraw/zinc/04/88/30/204048830.db2.gz	OCYRBMDTGQEGSW-LBPRGKRZSA-N	-1	1	364.383	1.254	50	5		FDBAMM
C[C@H](C(=O)Nn1c(=O)c2ccccc2[n-]c1=S)n1cc([N+](=O)[O-])cn1	ZINC000101649304	205963815	/nfs/dbraw/zinc/96/38/15/205963815.db2.gz	ZPTWBOBNPADPFA-MRVPVSSYSA-N	-1	1	360.355	1.121	50	5		FDBAMM
O=C1[N-]C(=O)C(CCc2ccncc2)(Cc2ccc([N+](=O)[O-])cc2)C(=O)N1	ZINC000001088836	518227727	/nfs/dbraw/zinc/22/77/27/518227727.db2.gz	ORQDUQWOIYMWPZ-UHFFFAOYSA-N	-1	1	368.349	1.518	50	5		FDBAMM
COc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1[N+](=O)[O-]	ZINC000006316276	206202778	/nfs/dbraw/zinc/20/27/78/206202778.db2.gz	WASBEADHOATHIO-UHFFFAOYSA-N	-1	1	351.340	1.503	50	5		FDBAMM
CCOC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)c2c(=O)[nH][n-]c2C[C@@]1(C)O	ZINC000195473111	206331792	/nfs/dbraw/zinc/33/17/92/206331792.db2.gz	PGLOJNOMLZJZLP-VWPFQQQWSA-N	-1	1	361.354	1.114	50	5		FDBAMM
O=C1[N-]C(=S)NC(=O)[C@@]12Cc1cc([N+](=O)[O-])ccc1N1CCCC[C@H]12	ZINC000008744284	518484131	/nfs/dbraw/zinc/48/41/31/518484131.db2.gz	NVFIYGGJIKZTAR-LBPRGKRZSA-N	-1	1	360.395	1.867	50	5		FDBAMM
O=C1[N-]C(=S)NC(=O)[C@]12Cc1cc([N+](=O)[O-])ccc1N1CCCC[C@H]12	ZINC000008744284	518484136	/nfs/dbraw/zinc/48/41/36/518484136.db2.gz	NVFIYGGJIKZTAR-LBPRGKRZSA-N	-1	1	360.395	1.867	50	5		FDBAMM
Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])n(-c2nc(C)cc(=O)[n-]2)n1	ZINC000015881332	518738240	/nfs/dbraw/zinc/73/82/40/518738240.db2.gz	UWYHGJZSNQELBY-UHFFFAOYSA-N	-1	1	354.326	1.733	50	5		FDBAMM
O=C(C(=C([O-])c1cccc([N+](=O)[O-])c1)n1ccccc1=O)N1CCCC1	ZINC000004680553	204154458	/nfs/dbraw/zinc/15/44/58/204154458.db2.gz	LNMSPGOTBUDCGQ-MRXNPFEDSA-N	-1	1	355.350	1.803	50	5		FDBAMM
CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1Cl	ZINC000024981155	519026815	/nfs/dbraw/zinc/02/68/15/519026815.db2.gz	XPKJXBMMDDCYEK-CQSZACIVSA-N	-1	1	364.789	1.969	50	5		FDBAMM
Cc1c([N+](=O)[O-])c([N+](=O)[O-])nn1CC(=O)Nc1cc([O-])cc([N+](=O)[O-])c1	ZINC000100520444	525214997	/nfs/dbraw/zinc/21/49/97/525214997.db2.gz	YEXSPXSVJDWHMQ-UHFFFAOYSA-N	-1	1	366.246	1.260	50	5		FDBAMM
CCOC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)c2c(=O)[nH][n-]c2C[C@@]1(C)O	ZINC000102753941	525302671	/nfs/dbraw/zinc/30/26/71/525302671.db2.gz	KONHVAPSKTWBQT-VWPFQQQWSA-N	-1	1	361.354	1.114	50	5		FDBAMM
O=C(c1cccs1)C1=NO[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C([O-])=C12	ZINC000108801545	825038383	/nfs/dbraw/zinc/03/83/83/825038383.db2.gz	UPKUUTDGKPOMJY-RISCZKNCSA-N	-1	1	371.330	1.783	50	5		FDBAMM
CCOc1ccc(NC(=O)CSc2nccc(=O)[n-]2)c([N+](=O)[O-])c1	ZINC000006564708	204253284	/nfs/dbraw/zinc/25/32/84/204253284.db2.gz	JACGZGBYBZPFQK-UHFFFAOYSA-N	-1	1	350.356	1.808	50	5		FDBAMM
O=C(CSc1nnc2ccccn21)[N-]C(=O)c1cccc([N+](=O)[O-])c1	ZINC000002644998	204049608	/nfs/dbraw/zinc/04/96/08/204049608.db2.gz	XBKQNRSWULKFQU-UHFFFAOYSA-N	-1	1	357.351	1.686	50	5		FDBAMM
COC(=O)COc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000005065575	204189154	/nfs/dbraw/zinc/18/91/54/204189154.db2.gz	KNGZQCIQJXVPRE-UHFFFAOYSA-N	-1	1	366.351	1.947	50	5		FDBAMM
COC(=O)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000000754785	206223155	/nfs/dbraw/zinc/22/31/55/206223155.db2.gz	QDKSMMCKXBJSTE-CQSZACIVSA-N	-1	1	350.352	1.787	50	5		FDBAMM
COc1cc([C@H]2c3c(C)[nH]nc3NC3=C2C(=O)OC3)cc([N+](=O)[O-])c1[O-]	ZINC000020086521	518843812	/nfs/dbraw/zinc/84/38/12/518843812.db2.gz	KMIXOKHADKEWIE-LBPRGKRZSA-N	-1	1	358.310	1.709	50	5		FDBAMM
CN1C(=O)[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C1=O	ZINC000229904121	536323064	/nfs/dbraw/zinc/32/30/64/536323064.db2.gz	RROXMKQYDIDXCF-SUMWQHHRSA-N	-1	1	358.354	1.204	50	5		FDBAMM
CCCN1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)C1=O	ZINC000229904202	537575374	/nfs/dbraw/zinc/57/53/74/537575374.db2.gz	DQGQVAGIUNPNRS-KSSFIOAISA-N	-1	1	372.381	1.595	50	5		FDBAMM
CC(C)N1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C1=O	ZINC000008974862	204350171	/nfs/dbraw/zinc/35/01/71/204350171.db2.gz	NECZUMLEHFZZAC-KDOFPFPSSA-N	-1	1	372.381	1.593	50	5		FDBAMM
CC(=O)NCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000225391639	206477055	/nfs/dbraw/zinc/47/70/55/206477055.db2.gz	XEUWCKMQSFVMKC-UHFFFAOYSA-N	-1	1	356.187	1.316	50	5		FDBAMM
CN1C(=O)[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C1=O	ZINC000229994124	132288594	/nfs/dbraw/zinc/28/85/94/132288594.db2.gz	AFJFSADHJJZPFO-KBXCAEBGSA-N	-1	1	372.381	1.799	50	5		FDBAMM
Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)n(-c2nc(C)cc(=O)[n-]2)n1	ZINC000015881334	518737538	/nfs/dbraw/zinc/73/75/38/518737538.db2.gz	DVSORDYVUKAQGU-UHFFFAOYSA-N	-1	1	354.326	1.733	50	5		FDBAMM
C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)[N-]C(=O)NC3=O)[C@@H]2C1	ZINC000017016655	518773100	/nfs/dbraw/zinc/77/31/00/518773100.db2.gz	ZLLQOFBTQIIREK-RNCFNFMXSA-N	-1	1	358.354	1.108	50	5		FDBAMM
COCCCN1C(=O)N=NC1Sc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000024528765	518996733	/nfs/dbraw/zinc/99/67/33/518996733.db2.gz	KGRDYLVEQFXWLY-UHFFFAOYSA-N	-1	1	354.344	1.778	50	5		FDBAMM
O=C(c1ccco1)C1=NO[C@@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C([O-])=C12	ZINC000100355152	209213590	/nfs/dbraw/zinc/21/35/90/209213590.db2.gz	NONCNMRPGNJYJQ-RISCZKNCSA-N	-1	1	355.262	1.315	50	5		FDBAMM
CCOC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)c2c(=O)[nH][n-]c2C[C@]1(C)O	ZINC000245296083	537655996	/nfs/dbraw/zinc/65/59/96/537655996.db2.gz	KONHVAPSKTWBQT-FHIRATQRSA-N	-1	1	361.354	1.114	50	5		FDBAMM
O=C(c1[nH][n-]c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2)c1ccccc1	ZINC000100165660	209211006	/nfs/dbraw/zinc/21/10/06/209211006.db2.gz	DLAIKQNQMALZCB-UKRRQHHQSA-N	-1	1	364.317	1.295	50	5		FDBAMM
CC1CCC2(CC1)NC(=O)N([N-]C(=O)c1ccc([N+](=O)[O-])c(O)c1)C2=O	ZINC000018038851	518790919	/nfs/dbraw/zinc/79/09/19/518790919.db2.gz	XSVCJWMRMRSBBD-UHFFFAOYSA-N	-1	1	362.342	1.446	50	5		FDBAMM
CN1C(=O)[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C1=O	ZINC000009087187	518497280	/nfs/dbraw/zinc/49/72/80/518497280.db2.gz	AFJFSADHJJZPFO-RDTXWAMCSA-N	-1	1	372.381	1.595	50	5		FDBAMM
CN1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C(=O)[N-]C1=S	ZINC000230028455	536327119	/nfs/dbraw/zinc/32/71/19/536327119.db2.gz	WDROLQJGZOXBSS-GUYCJALGSA-N	-1	1	374.422	1.369	50	5		FDBAMM
CN1C(=O)[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C1=O	ZINC000008974485	518493270	/nfs/dbraw/zinc/49/32/70/518493270.db2.gz	RROXMKQYDIDXCF-CXAGYDPISA-N	-1	1	358.354	1.204	50	5		FDBAMM
Cc1nn([C@@H](C)C(=O)Nn2c(=O)c3ccccc3[n-]c2=S)cc1[N+](=O)[O-]	ZINC000102002797	209232242	/nfs/dbraw/zinc/23/22/42/209232242.db2.gz	KKGACIOBDWAUOD-VIFPVBQESA-N	-1	1	374.382	1.430	50	5		FDBAMM
CN1C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C(=O)[N-]C1=S	ZINC000230028462	132288597	/nfs/dbraw/zinc/28/85/97/132288597.db2.gz	WDROLQJGZOXBSS-SUMWQHHRSA-N	-1	1	374.422	1.369	50	5		FDBAMM
COCc1nnc([N-]C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)s1	ZINC000002484438	518241569	/nfs/dbraw/zinc/24/15/69/518241569.db2.gz	DHLZHROBEUDGOG-UHFFFAOYSA-N	-1	1	352.328	1.632	50	5		FDBAMM
C[C@]12CCCCN1c1ccc([N+](=O)[O-])cc1CC21C(=O)[N-]C(=O)NC1=O	ZINC000017206386	518779584	/nfs/dbraw/zinc/77/95/84/518779584.db2.gz	ZDGMVPSDEKWDII-MRXNPFEDSA-N	-1	1	358.354	1.252	50	5		FDBAMM
CCOC(=O)COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc1	ZINC000009234853	207262731	/nfs/dbraw/zinc/26/27/31/207262731.db2.gz	BYUNSBUDFDGNDR-VMPITWQZSA-N	-1	1	361.310	1.496	50	5		FDBAMM
O=C(C[C@@]1(O)C(=O)Nc2ccccc21)c1nc2ccc([N+](=O)[O-])cc2[n-]1	ZINC000005401073	518343262	/nfs/dbraw/zinc/34/32/62/518343262.db2.gz	UWZXZQGPQJTOMX-KRWDZBQOSA-N	-1	1	352.306	1.884	50	5		FDBAMM
O=C(C[C@@]1(O)C(=O)Nc2ccccc21)c1nc2cc([N+](=O)[O-])ccc2[n-]1	ZINC000005401073	518343267	/nfs/dbraw/zinc/34/32/67/518343267.db2.gz	UWZXZQGPQJTOMX-KRWDZBQOSA-N	-1	1	352.306	1.884	50	5		FDBAMM
CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)[N-]C(=O)N(C)C2=O	ZINC000008971140	518493027	/nfs/dbraw/zinc/49/30/27/518493027.db2.gz	WREGGTFMZQUSLS-DYVFJYSZSA-N	-1	1	360.370	1.450	50	5		FDBAMM
Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)n(-c2nc3c(c(=O)[n-]2)CCC3)n1	ZINC000009660410	518513699	/nfs/dbraw/zinc/51/36/99/518513699.db2.gz	CCFFUMDHGZZULP-UHFFFAOYSA-N	-1	1	370.325	1.506	50	5		FDBAMM
Cc1cc(C)n2nc(C[N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)nc2n1	ZINC000015936409	518739261	/nfs/dbraw/zinc/73/92/61/518739261.db2.gz	NEQPYTYPLQTBEH-UHFFFAOYSA-N	-1	1	362.371	1.128	50	5		FDBAMM
O=c1nc([C@H]2CCCCN2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[nH][n-]1	ZINC000253431540	571316463	/nfs/dbraw/zinc/31/64/63/571316463.db2.gz	WFTKSADWUXCBNH-GFCCVEGCSA-N	-1	1	371.357	1.783	50	5		FDBAMM
C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(C)C3=O)[C@H]2C1	ZINC000248078329	132377118	/nfs/dbraw/zinc/37/71/18/132377118.db2.gz	ZXGOGWPONWULQX-MAZCYNQFSA-N	-1	1	372.381	1.450	50	5		FDBAMM
CCOC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)c2c(=O)[nH][n-]c2C[C@]1(C)O	ZINC000001314062	518229139	/nfs/dbraw/zinc/22/91/39/518229139.db2.gz	UDVQDRNFAAQHTD-IFIJOSMWSA-N	-1	1	361.354	1.642	50	5		FDBAMM
COc1cc(NC(=O)CSc2nccc(=O)[n-]2)c(C)cc1[N+](=O)[O-]	ZINC000013865350	211062743	/nfs/dbraw/zinc/06/27/43/211062743.db2.gz	OFWKFPULXOUAOV-UHFFFAOYSA-N	-1	1	350.356	1.726	50	5		FDBAMM
O=C(C=C([O-])C(=O)Nc1nc([N+](=O)[O-])cs1)c1cccc([N+](=O)[O-])c1	ZINC000103010974	222318798	/nfs/dbraw/zinc/31/87/98/222318798.db2.gz	GXUNGXWPKYTECE-UHFFFAOYSA-N	-1	1	364.295	1.740	50	5		FDBAMM
O=C(c1ccco1)C1=NO[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C([O-])=C12	ZINC000003849002	518279637	/nfs/dbraw/zinc/27/96/37/518279637.db2.gz	NONCNMRPGNJYJQ-SMDDNHRTSA-N	-1	1	355.262	1.315	50	5		FDBAMM
CCOC(=O)C1=C(C)Nc2nc(N)[n-]c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000006265568	518367314	/nfs/dbraw/zinc/36/73/14/518367314.db2.gz	DSWBZTABOBXHNM-LBPRGKRZSA-N	-1	1	371.353	1.655	50	5		FDBAMM
O=C1[N-]C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C(=O)N1	ZINC000009009484	518495419	/nfs/dbraw/zinc/49/54/19/518495419.db2.gz	JJGGCRPFBIEDBQ-ZDUSSCGKSA-N	-1	1	358.354	1.252	50	5		FDBAMM
Cc1ccc(-n2nnnc2C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000017052318	211176435	/nfs/dbraw/zinc/17/64/35/211176435.db2.gz	KJIVAIXJOHRVHQ-UHFFFAOYSA-N	-1	1	374.382	1.357	50	5		FDBAMM
CN1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C1=O	ZINC000008974486	518493877	/nfs/dbraw/zinc/49/38/77/518493877.db2.gz	RROXMKQYDIDXCF-DYVFJYSZSA-N	-1	1	358.354	1.204	50	5		FDBAMM
C[C@H]1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)[N-]C(=O)NC3=O)[C@H]2C1	ZINC000248343091	524309783	/nfs/dbraw/zinc/30/97/83/524309783.db2.gz	ZLLQOFBTQIIREK-TVQRCGJNSA-N	-1	1	358.354	1.108	50	5		FDBAMM
CCOC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)c2c(=O)[nH][n-]c2C[C@@]1(C)O	ZINC000101890289	525258342	/nfs/dbraw/zinc/25/83/42/525258342.db2.gz	PGLOJNOMLZJZLP-XJIUQZFPSA-N	-1	1	361.354	1.114	50	5		FDBAMM
CC(C)[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(N)=O	ZINC000240668551	537645620	/nfs/dbraw/zinc/64/56/20/537645620.db2.gz	HNIGCPRWUGFBGD-VIFPVBQESA-N	-1	1	370.214	1.690	50	5		FDBAMM
COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000000754786	219318095	/nfs/dbraw/zinc/31/80/95/219318095.db2.gz	QDKSMMCKXBJSTE-AWEZNQCLSA-N	-1	1	350.352	1.787	50	5		FDBAMM
O=C(c1[nH][n-]c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2)c1ccccc1	ZINC000100165668	222238643	/nfs/dbraw/zinc/23/86/43/222238643.db2.gz	DLAIKQNQMALZCB-ZFWWWQNUSA-N	-1	1	364.317	1.295	50	5		FDBAMM
O=C(Nc1ccccc1[N+](=O)[O-])C([O-])=C1C(=O)Nc2ccccc2[S@@]1=O	ZINC000100721903	222251041	/nfs/dbraw/zinc/25/10/41/222251041.db2.gz	BJDABJDWAIZPSY-RMKBEBRYSA-N	-1	1	373.346	1.231	50	5		FDBAMM
O=c1nc([C@@H]2CCCCN2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[nH][n-]1	ZINC000253431541	571316450	/nfs/dbraw/zinc/31/64/50/571316450.db2.gz	WFTKSADWUXCBNH-LBPRGKRZSA-N	-1	1	371.357	1.783	50	5		FDBAMM
O=C(c1ccc([N+](=O)[O-])cc1)N1C(=S)[N-]C(=O)C1=Cc1cccnc1	ZINC000000824681	210277822	/nfs/dbraw/zinc/27/78/22/210277822.db2.gz	XDTSPFRZKDKLRN-MDWZMJQESA-N	-1	1	354.347	1.888	50	5		FDBAMM
O=C(c1cccs1)C1=NO[C@@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C([O-])=C12	ZINC000103751133	222342909	/nfs/dbraw/zinc/34/29/09/222342909.db2.gz	LWVHIZZHCAGEGE-RISCZKNCSA-N	-1	1	371.330	1.783	50	5		FDBAMM
CCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)c2ccc([N+](=O)[O-])cc2)n1	ZINC000007419586	518419962	/nfs/dbraw/zinc/41/99/62/518419962.db2.gz	PHPNTTCEVOQILZ-UHFFFAOYSA-N	-1	1	368.353	1.987	50	5		FDBAMM
CCCN1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C1=O	ZINC000008997193	518493339	/nfs/dbraw/zinc/49/33/39/518493339.db2.gz	DQGQVAGIUNPNRS-KDOFPFPSSA-N	-1	1	372.381	1.595	50	5		FDBAMM
CC(C)N1C(=O)[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C1=O	ZINC000008974861	518493798	/nfs/dbraw/zinc/49/37/98/518493798.db2.gz	NECZUMLEHFZZAC-RDTXWAMCSA-N	-1	1	372.381	1.593	50	5		FDBAMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(C(N)=O)c1	ZINC000032087081	519481288	/nfs/dbraw/zinc/48/12/88/519481288.db2.gz	CNRRQULNZWNDIS-UHFFFAOYSA-N	-1	1	353.331	1.942	50	5		FDBAMM
O=C1[N-]C(=S)NC(=O)[C@@]12Cc1cc([N+](=O)[O-])ccc1N1CCCC[C@@H]12	ZINC000008742887	518485446	/nfs/dbraw/zinc/48/54/46/518485446.db2.gz	NVFIYGGJIKZTAR-GFCCVEGCSA-N	-1	1	360.395	1.867	50	5		FDBAMM
O=C1[N-]C(=S)NC(=O)[C@]12Cc1cc([N+](=O)[O-])ccc1N1CCCC[C@@H]12	ZINC000008742887	518485449	/nfs/dbraw/zinc/48/54/49/518485449.db2.gz	NVFIYGGJIKZTAR-GFCCVEGCSA-N	-1	1	360.395	1.867	50	5		FDBAMM
C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(C)C3=O)[C@@H]2C1	ZINC000015319738	518718070	/nfs/dbraw/zinc/71/80/70/518718070.db2.gz	ZXGOGWPONWULQX-RHXQLXPWSA-N	-1	1	372.381	1.450	50	5		FDBAMM
CCOC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)c2c(=O)[nH][n-]c2C[C@]1(C)O	ZINC000248318858	537172358	/nfs/dbraw/zinc/17/23/58/537172358.db2.gz	PGLOJNOMLZJZLP-FHIRATQRSA-N	-1	1	361.354	1.114	50	5		FDBAMM
CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1Cl	ZINC000024981133	519026714	/nfs/dbraw/zinc/02/67/14/519026714.db2.gz	XPKJXBMMDDCYEK-AWEZNQCLSA-N	-1	1	364.789	1.969	50	5		FDBAMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)cc1[N+](=O)[O-]	ZINC000009961869	518521208	/nfs/dbraw/zinc/52/12/08/518521208.db2.gz	SDNIZDBMCSMOPU-UHFFFAOYSA-N	-1	1	371.396	1.351	50	5		FDBAMM
CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000025045444	519033875	/nfs/dbraw/zinc/03/38/75/519033875.db2.gz	RCTXKWISOLPITE-UHFFFAOYSA-N	-1	1	353.338	1.741	50	5		FDBAMM
CS(=O)(=O)c1nnc([N-]C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1	ZINC000013630037	220080716	/nfs/dbraw/zinc/08/07/16/220080716.db2.gz	AUBYOKCYVRXCBS-UHFFFAOYSA-N	-1	1	362.776	1.756	50	5		FDBAMM
O=C(c1cccs1)C1=NO[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C([O-])=C12	ZINC000103751139	222342280	/nfs/dbraw/zinc/34/22/80/222342280.db2.gz	LWVHIZZHCAGEGE-BXUZGUMPSA-N	-1	1	371.330	1.783	50	5		FDBAMM
COCCN1C(=O)C(=C(C)Nc2cccc([N+](=O)[O-])c2)C(=O)[N-]C1=S	ZINC000105210003	525475034	/nfs/dbraw/zinc/47/50/34/525475034.db2.gz	VYOBZPYUKZPYTQ-FMIVXFBMSA-N	-1	1	364.383	1.170	50	5		FDBAMM
Cn1c2ccc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)cc2n(C)c1=O	ZINC000050530411	221031929	/nfs/dbraw/zinc/03/19/29/221031929.db2.gz	LKWGLTKSSODLOX-UHFFFAOYSA-N	-1	1	362.367	1.586	50	5		FDBAMM
O=C(Nc1ccccc1[N+](=O)[O-])C([O-])=C1C(=O)Nc2ccccc2[S@]1=O	ZINC000005739294	518353859	/nfs/dbraw/zinc/35/38/59/518353859.db2.gz	BJDABJDWAIZPSY-RXBISOJRSA-N	-1	1	373.346	1.231	50	5		FDBAMM
CCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)c2cccc([N+](=O)[O-])c2)n1	ZINC000007419581	518420918	/nfs/dbraw/zinc/42/09/18/518420918.db2.gz	NMEOUUQXDWONTE-UHFFFAOYSA-N	-1	1	368.353	1.987	50	5		FDBAMM
CN1C[C@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)[N-]C(=S)N(C1CC1)C2=O	ZINC000008741440	518484699	/nfs/dbraw/zinc/48/46/99/518484699.db2.gz	UGKWOOJVLXCALE-MRXNPFEDSA-N	-1	1	360.395	1.820	50	5		FDBAMM
C[C@H]1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)[N-]C(=O)NC3=O)[C@@H]2C1	ZINC000017016658	518773781	/nfs/dbraw/zinc/77/37/81/518773781.db2.gz	ZLLQOFBTQIIREK-ZANVPECISA-N	-1	1	358.354	1.108	50	5		FDBAMM
COc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1[N-]S(C)(=O)=O	ZINC000046378104	522286901	/nfs/dbraw/zinc/28/69/01/522286901.db2.gz	HJBVSWSDSCIKNI-UHFFFAOYSA-N	-1	1	355.328	1.820	50	5		FDBAMM
C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(C)C3=O)[C@H]2C1	ZINC000248078332	132377128	/nfs/dbraw/zinc/37/71/28/132377128.db2.gz	ZXGOGWPONWULQX-RUHJCQMXSA-N	-1	1	372.381	1.450	50	5		FDBAMM
O=C(Nc1ccccc1[N+](=O)[O-])C([O-])=C1C(=O)Nc2ccccc2[S@]1=O	ZINC000100721898	222250428	/nfs/dbraw/zinc/25/04/28/222250428.db2.gz	BJDABJDWAIZPSY-PTFIGZPYSA-N	-1	1	373.346	1.231	50	5		FDBAMM
COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(C)cc(=O)[n-]1	ZINC000008732779	518484110	/nfs/dbraw/zinc/48/41/10/518484110.db2.gz	WCQMEPLXMGDUTH-UHFFFAOYSA-N	-1	1	350.356	1.726	50	5		FDBAMM
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[O-])cc2)c1	ZINC000008765695	518486839	/nfs/dbraw/zinc/48/68/39/518486839.db2.gz	AWVJFWPLPCLFEY-UHFFFAOYSA-N	-1	1	358.353	1.642	50	5		FDBAMM
CN1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C1=O	ZINC000229994120	536327215	/nfs/dbraw/zinc/32/72/15/536327215.db2.gz	AFJFSADHJJZPFO-KSSFIOAISA-N	-1	1	372.381	1.799	50	5		FDBAMM
O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]Cc2noc(C(F)(F)F)n2)c1	ZINC000225389996	537546082	/nfs/dbraw/zinc/54/60/82/537546082.db2.gz	PONNSDYXVHGCLR-UHFFFAOYSA-N	-1	1	366.277	1.616	50	5		FDBAMM
O=C(c1[nH][n-]c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2)c1ccccc1	ZINC000100165664	222238367	/nfs/dbraw/zinc/23/83/67/222238367.db2.gz	DLAIKQNQMALZCB-HIFRSBDPSA-N	-1	1	364.317	1.295	50	5		FDBAMM
Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)n(-c2nc(C)cc(=O)[n-]2)n1	ZINC000007419082	518418808	/nfs/dbraw/zinc/41/88/08/518418808.db2.gz	ZFZGHDOYVFICAH-UHFFFAOYSA-N	-1	1	368.353	1.662	50	5		FDBAMM
Cc1noc2ncc(NS(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc12	ZINC000072301069	522209021	/nfs/dbraw/zinc/20/90/21/522209021.db2.gz	JBAYEYXGNGODED-UHFFFAOYSA-N	-1	1	350.312	1.946	50	5		FDBAMM
O=C(c1ccco1)C1=NO[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C([O-])=C12	ZINC000100355156	222242051	/nfs/dbraw/zinc/24/20/51/222242051.db2.gz	NONCNMRPGNJYJQ-BXUZGUMPSA-N	-1	1	355.262	1.315	50	5		FDBAMM
CC(C)[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(N)=O	ZINC000240668550	537645245	/nfs/dbraw/zinc/64/52/45/537645245.db2.gz	HNIGCPRWUGFBGD-SECBINFHSA-N	-1	1	370.214	1.690	50	5		FDBAMM
Cc1ccc([N-]S(=O)(=O)c2cn(C)nc2[N+](=O)[O-])c(CN(C)C)c1	ZINC000084142381	571075661	/nfs/dbraw/zinc/07/56/61/571075661.db2.gz	PXXXLNIZJZAWNJ-UHFFFAOYSA-N	-1	1	353.404	1.499	50	5		FDBAMM
CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)c2ccc([N+](=O)[O-])o2)n1	ZINC000009660384	518513906	/nfs/dbraw/zinc/51/39/06/518513906.db2.gz	ADBDCQDXMORCSN-UHFFFAOYSA-N	-1	1	372.341	1.970	50	5		FDBAMM
O=C(NCc1ccc(CN2CCOCC2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000016498105	518761658	/nfs/dbraw/zinc/76/16/58/518761658.db2.gz	MXBLRDYNNQKISE-UHFFFAOYSA-N	-1	1	372.381	1.045	50	5		FDBAMM
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)[N-]C2CC2)o1	ZINC000032643920	519519339	/nfs/dbraw/zinc/51/93/39/519519339.db2.gz	VXCZOCHBAAAEQO-UHFFFAOYSA-N	-1	1	351.340	1.881	50	5		FDBAMM
CN1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C1=O	ZINC000229904116	536322480	/nfs/dbraw/zinc/32/24/80/536322480.db2.gz	RROXMKQYDIDXCF-GUYCJALGSA-N	-1	1	358.354	1.204	50	5		FDBAMM
COc1ccc(-c2n[nH]cc2C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc1	ZINC000012370957	204455498	/nfs/dbraw/zinc/45/54/98/204455498.db2.gz	CEIVTHFFFBNUOC-QPJJXVBHSA-N	-1	1	355.310	1.953	50	5		FDBAMM
O=C(C(=C([O-])c1cccc([N+](=O)[O-])c1)n1ccccc1=O)N1CCCC1	ZINC000004680552	204154387	/nfs/dbraw/zinc/15/43/87/204154387.db2.gz	LNMSPGOTBUDCGQ-INIZCTEOSA-N	-1	1	355.350	1.803	50	5		FDBAMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCCCO	ZINC000241701797	537647059	/nfs/dbraw/zinc/64/70/59/537647059.db2.gz	QLEJPPPGDQZLPB-UHFFFAOYSA-N	-1	1	353.194	1.408	50	5		FDBAMM
O=C(c1cccs1)C1=NO[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C([O-])=C12	ZINC000108801542	825005875	/nfs/dbraw/zinc/00/58/75/825005875.db2.gz	UPKUUTDGKPOMJY-BXUZGUMPSA-N	-1	1	371.330	1.783	50	5		FDBAMM
O=C(c1[nH][n-]c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2)c1ccccc1	ZINC000004693692	204155089	/nfs/dbraw/zinc/15/50/89/204155089.db2.gz	DLAIKQNQMALZCB-DZGCQCFKSA-N	-1	1	364.317	1.295	50	5		FDBAMM
O=C(c1cccs1)C1=NO[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C([O-])=C12	ZINC000016450264	518759594	/nfs/dbraw/zinc/75/95/94/518759594.db2.gz	LWVHIZZHCAGEGE-SMDDNHRTSA-N	-1	1	371.330	1.783	50	5		FDBAMM
O=C(Cc1sc(N2CCOCC2)nc1[O-])Nc1cccc([N+](=O)[O-])c1	ZINC000002646349	204049401	/nfs/dbraw/zinc/04/94/01/204049401.db2.gz	OCYRBMDTGQEGSW-GFCCVEGCSA-N	-1	1	364.383	1.254	50	5		FDBAMM
CCOC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)c2c(=O)[nH][n-]c2C[C@@]1(C)O	ZINC000004754947	204161755	/nfs/dbraw/zinc/16/17/55/204161755.db2.gz	UDVQDRNFAAQHTD-HACGYAERSA-N	-1	1	361.354	1.642	50	5		FDBAMM
C[C@@H](Cn1cc([N+](=O)[O-])cn1)C(=O)Nn1c(=O)c2ccccc2[n-]c1=S	ZINC000102002138	205967807	/nfs/dbraw/zinc/96/78/07/205967807.db2.gz	AFZBNESXKIFZEU-VIFPVBQESA-N	-1	1	374.382	1.196	50	5		FDBAMM
O=C(c1cccs1)C1=NO[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C([O-])=C12	ZINC000005677373	518352172	/nfs/dbraw/zinc/35/21/72/518352172.db2.gz	UPKUUTDGKPOMJY-FZMZJTMJSA-N	-1	1	371.330	1.783	50	5		FDBAMM
C[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])N1CCCCC1=O	ZINC000170619807	525645641	/nfs/dbraw/zinc/64/56/41/525645641.db2.gz	MQOLTVAIQBLLNK-JTQLQIEISA-N	-1	1	359.379	1.413	50	5		FDBAMM
CCN1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@H]32)C1=O	ZINC000229830384	535435152	/nfs/dbraw/zinc/43/51/52/535435152.db2.gz	FDRQYFWLVXZCSM-GUYCJALGSA-N	-1	1	374.353	1.281	50	5		FDBAMM
CC(C)N1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)C1=O	ZINC000229904054	537575777	/nfs/dbraw/zinc/57/57/77/537575777.db2.gz	NECZUMLEHFZZAC-KSSFIOAISA-N	-1	1	372.381	1.593	50	5		FDBAMM
C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(C)C3=O)[C@@H]2C1	ZINC000004623723	518307072	/nfs/dbraw/zinc/30/70/72/518307072.db2.gz	ZXGOGWPONWULQX-FWVNDXEPSA-N	-1	1	372.381	1.450	50	5		FDBAMM
COc1ccc(CN2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)cc1	ZINC000016498606	518760348	/nfs/dbraw/zinc/76/03/48/518760348.db2.gz	WSIGSWGCUNNMBB-UHFFFAOYSA-N	-1	1	372.381	1.250	50	5		FDBAMM
Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-]	ZINC000006416231	207139279	/nfs/dbraw/zinc/13/92/79/207139279.db2.gz	IIIJEUZYOMNVQJ-UHFFFAOYSA-N	-1	1	351.340	1.749	50	5		FDBAMM
CCc1c(C)nc(-n2nc(C)cc2NC(=O)c2ccc([N+](=O)[O-])o2)[n-]c1=O	ZINC000009660401	518513020	/nfs/dbraw/zinc/51/30/20/518513020.db2.gz	JABVKDGYWJKFCM-UHFFFAOYSA-N	-1	1	372.341	1.888	50	5		FDBAMM
COc1ccc(NC(=O)CSc2nc(C)cc(=O)[n-]2)c([N+](=O)[O-])c1	ZINC000013388663	518656466	/nfs/dbraw/zinc/65/64/66/518656466.db2.gz	YIGBYRQHOYEJHO-UHFFFAOYSA-N	-1	1	350.356	1.726	50	5		FDBAMM
Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)n(-c2nc(C)cc(=O)[n-]2)n1	ZINC000015881333	518738518	/nfs/dbraw/zinc/73/85/18/518738518.db2.gz	QJRHZBHHFFMWRI-UHFFFAOYSA-N	-1	1	354.326	1.733	50	5		FDBAMM
Nc1cc(=O)[n-]c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1	ZINC000018143350	518793733	/nfs/dbraw/zinc/79/37/33/518793733.db2.gz	OBNDMFCXPYUHIZ-UHFFFAOYSA-N	-1	1	355.763	1.645	50	5		FDBAMM
CCOC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)c2c(=O)[nH][n-]c2C[C@@]1(C)O	ZINC000100642336	209215776	/nfs/dbraw/zinc/21/57/76/209215776.db2.gz	KONHVAPSKTWBQT-XJIUQZFPSA-N	-1	1	361.354	1.114	50	5		FDBAMM
O=C(Nc1ccccc1[N+](=O)[O-])C([O-])=C1C(=O)Nc2ccccc2[S@@]1=O	ZINC000005739309	207114382	/nfs/dbraw/zinc/11/43/82/207114382.db2.gz	BJDABJDWAIZPSY-IYJVBRSBSA-N	-1	1	373.346	1.231	50	5		FDBAMM
COCCN1C(=O)C(=C(C)Nc2cccc([N+](=O)[O-])c2)C(=O)[N-]C1=S	ZINC000006585507	518377045	/nfs/dbraw/zinc/37/70/45/518377045.db2.gz	VYOBZPYUKZPYTQ-XFXZXTDPSA-N	-1	1	364.383	1.170	50	5		FDBAMM
CN1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C1=O	ZINC000009087188	518498075	/nfs/dbraw/zinc/49/80/75/518498075.db2.gz	AFJFSADHJJZPFO-KDOFPFPSSA-N	-1	1	372.381	1.595	50	5		FDBAMM
CCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)c2ccc([N+](=O)[O-])o2)n1	ZINC000009660361	518512612	/nfs/dbraw/zinc/51/26/12/518512612.db2.gz	CUFIDVFKNBJNGI-UHFFFAOYSA-N	-1	1	358.314	1.580	50	5		FDBAMM
CC(=O)Nc1ccc(S(=O)(=O)NN=c2ccc([N+](=O)[O-])c[n-]2)cc1	ZINC000020031443	518843400	/nfs/dbraw/zinc/84/34/00/518843400.db2.gz	AXCBTMLSLADBNF-UHFFFAOYSA-N	-1	1	351.344	1.254	50	5		FDBAMM
O=[N+]([O-])c1ccc(NCCO)c([N-]S(=O)(=O)c2ccc(F)cc2)c1	ZINC000026540653	519127945	/nfs/dbraw/zinc/12/79/45/519127945.db2.gz	GFJFZABCSGUHST-UHFFFAOYSA-N	-1	1	355.347	1.939	50	5		FDBAMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCC(N)=O)cc1	ZINC000004980319	207067496	/nfs/dbraw/zinc/06/74/96/207067496.db2.gz	CKLKLIYZJXPAQO-UHFFFAOYSA-N	-1	1	365.367	1.568	50	5		FDBAMM
C[C@@]12CCCCN1c1ccc([N+](=O)[O-])cc1CC21C(=O)[N-]C(=O)NC1=O	ZINC000017206383	518778933	/nfs/dbraw/zinc/77/89/33/518778933.db2.gz	ZDGMVPSDEKWDII-INIZCTEOSA-N	-1	1	358.354	1.252	50	5		FDBAMM
O=C(NC1CCN(C(=O)c2ccncc2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000170600203	525639303	/nfs/dbraw/zinc/63/93/03/525639303.db2.gz	XHCRJFVNSKZHFT-UHFFFAOYSA-N	-1	1	371.353	1.125	50	5		FDBAMM
C[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])N1CCCCC1=O	ZINC000170619808	525646372	/nfs/dbraw/zinc/64/63/72/525646372.db2.gz	MQOLTVAIQBLLNK-SNVBAGLBSA-N	-1	1	359.379	1.413	50	5		FDBAMM
CCCCn1c(=O)[nH]c([O-])c(C2=NN[C@@H](c3cccc([N+](=O)[O-])c3)C2)c1=O	ZINC000101762028	209229766	/nfs/dbraw/zinc/22/97/66/209229766.db2.gz	YHFXSOUEQOTMTA-GFCCVEGCSA-N	-1	1	373.369	1.389	50	5		FDBAMM
Cc1cnc([N+](=O)[O-])n1CCOC(=O)[N-]C(=O)c1c(F)cccc1F	ZINC000001424291	518231484	/nfs/dbraw/zinc/23/14/84/518231484.db2.gz	LIZUDPHDUYQGSX-UHFFFAOYSA-N	-1	1	354.269	1.945	50	5		FDBAMM
CCOC(=O)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)c2c(=O)[nH][n-]c2C[C@@]1(C)O	ZINC000004754949	207046689	/nfs/dbraw/zinc/04/66/89/207046689.db2.gz	UDVQDRNFAAQHTD-RVSPLBMKSA-N	-1	1	361.354	1.642	50	5		FDBAMM
CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)[N-]C(=O)N(C)C2=O	ZINC000008971145	535495672	/nfs/dbraw/zinc/49/56/72/535495672.db2.gz	WREGGTFMZQUSLS-SUMWQHHRSA-N	-1	1	360.370	1.450	50	5		FDBAMM
CCOC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)c2c(=O)[nH][n-]c2C[C@]1(C)O	ZINC000248318859	537172276	/nfs/dbraw/zinc/17/22/76/537172276.db2.gz	PGLOJNOMLZJZLP-WVZRYYJFSA-N	-1	1	361.354	1.114	50	5		FDBAMM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(c2n[n-]c(=O)o2)CC1	ZINC000252503724	537250506	/nfs/dbraw/zinc/25/05/06/537250506.db2.gz	VGGWSKNSUJDRHJ-UHFFFAOYSA-N	-1	1	368.371	1.148	50	5		FDBAMM
CCOC(=O)C1=C(C)Nc2nc(N)[n-]c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000006265567	518367180	/nfs/dbraw/zinc/36/71/80/518367180.db2.gz	DSWBZTABOBXHNM-GFCCVEGCSA-N	-1	1	371.353	1.655	50	5		FDBAMM
CN1C[C@@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)[N-]C(=S)N(C1CC1)C2=O	ZINC000008741439	518484949	/nfs/dbraw/zinc/48/49/49/518484949.db2.gz	UGKWOOJVLXCALE-INIZCTEOSA-N	-1	1	360.395	1.820	50	5		FDBAMM
CCCCn1c(=O)[nH]c([O-])c(C2=NN[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1=O	ZINC000101761992	222284299	/nfs/dbraw/zinc/28/42/99/222284299.db2.gz	UTOQVOZYFUBBNA-LBPRGKRZSA-N	-1	1	373.369	1.389	50	5		FDBAMM
Cc1nn([C@H](C)C(=O)Nn2c(=O)c3ccccc3[n-]c2=S)cc1[N+](=O)[O-]	ZINC000102002803	222288637	/nfs/dbraw/zinc/28/86/37/222288637.db2.gz	KKGACIOBDWAUOD-SECBINFHSA-N	-1	1	374.382	1.430	50	5		FDBAMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1nc(C(F)(F)F)no1	ZINC000096008920	525119768	/nfs/dbraw/zinc/11/97/68/525119768.db2.gz	IFMPZNUOXTYNPU-UHFFFAOYSA-N	-1	1	370.240	1.614	50	5		FDBAMM
CCOC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)c2c(=O)[nH][n-]c2C[C@]1(C)O	ZINC000245296086	210211906	/nfs/dbraw/zinc/21/19/06/210211906.db2.gz	KONHVAPSKTWBQT-WVZRYYJFSA-N	-1	1	361.354	1.114	50	5		FDBAMM
O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc3c2OCC[C@@H]3O)ccc1[O-]	ZINC000225616591	537555512	/nfs/dbraw/zinc/55/55/12/537555512.db2.gz	ITHFMIHWZMFDJA-ZDUSSCGKSA-N	-1	1	366.351	1.917	50	5		FDBAMM
CCCN1C(=O)[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)C1=O	ZINC000229904208	537574243	/nfs/dbraw/zinc/57/42/43/537574243.db2.gz	DQGQVAGIUNPNRS-KBXCAEBGSA-N	-1	1	372.381	1.595	50	5		FDBAMM
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)c([N+](=O)[O-])cc1OC	ZINC000072328161	221467450	/nfs/dbraw/zinc/46/74/50/221467450.db2.gz	KXHPUIKUPJRLJV-ONEGZZNKSA-N	-1	1	364.270	1.480	50	5		FDBAMM
CCOC(=O)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)c2c(=O)[nH][n-]c2C[C@]1(C)O	ZINC000001184531	518228965	/nfs/dbraw/zinc/22/89/65/518228965.db2.gz	UDVQDRNFAAQHTD-JDFRZJQESA-N	-1	1	361.354	1.642	50	5		FDBAMM
CCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)c2ccccc2[N+](=O)[O-])n1	ZINC000007419578	518419187	/nfs/dbraw/zinc/41/91/87/518419187.db2.gz	OCPIQSVYQSEZDS-UHFFFAOYSA-N	-1	1	368.353	1.987	50	5		FDBAMM
O=C1[N-]C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C(=O)N1	ZINC000018142090	518794130	/nfs/dbraw/zinc/79/41/30/518794130.db2.gz	JJGGCRPFBIEDBQ-CYBMUJFWSA-N	-1	1	358.354	1.252	50	5		FDBAMM
O=C(c1cccs1)C1=NO[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C([O-])=C12	ZINC000108801550	803468395	/nfs/dbraw/zinc/46/83/95/803468395.db2.gz	UPKUUTDGKPOMJY-SMDDNHRTSA-N	-1	1	371.330	1.783	50	5		FDBAMM
COC(=O)c1ccccc1S(=O)(=O)NN=c1ccc([N+](=O)[O-])c[n-]1	ZINC000020031446	211265354	/nfs/dbraw/zinc/26/53/54/211265354.db2.gz	SGLIZBZZCODPIG-UHFFFAOYSA-N	-1	1	352.328	1.082	50	5		FDBAMM
C[C@H](Cn1cc([N+](=O)[O-])cn1)C(=O)Nn1c(=O)c2ccccc2[n-]c1=S	ZINC000102002141	222288717	/nfs/dbraw/zinc/28/87/17/222288717.db2.gz	AFZBNESXKIFZEU-SECBINFHSA-N	-1	1	374.382	1.196	50	5		FDBAMM
CC(C)(C(=O)Nn1c(=O)c2ccccc2[n-]c1=S)n1cc([N+](=O)[O-])cn1	ZINC000101719816	222282011	/nfs/dbraw/zinc/28/20/11/222282011.db2.gz	VWBYRONMCRNZRA-UHFFFAOYSA-N	-1	1	374.382	1.295	50	5		FDBAMM
COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)c1	ZINC000024261474	518984898	/nfs/dbraw/zinc/98/48/98/518984898.db2.gz	LHSMIWKWCLGHPR-UHFFFAOYSA-N	-1	1	351.340	1.764	50	5		FDBAMM
O=C(C[C@]1(O)C(=O)Nc2ccccc21)c1nc2ccc([N+](=O)[O-])cc2[n-]1	ZINC000005401068	518343471	/nfs/dbraw/zinc/34/34/71/518343471.db2.gz	UWZXZQGPQJTOMX-QGZVFWFLSA-N	-1	1	352.306	1.884	50	5		FDBAMM
O=C(C[C@]1(O)C(=O)Nc2ccccc21)c1nc2cc([N+](=O)[O-])ccc2[n-]1	ZINC000005401068	518343477	/nfs/dbraw/zinc/34/34/77/518343477.db2.gz	UWZXZQGPQJTOMX-QGZVFWFLSA-N	-1	1	352.306	1.884	50	5		FDBAMM
CCCN1C(=O)[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C1=O	ZINC000008995789	518494053	/nfs/dbraw/zinc/49/40/53/518494053.db2.gz	DQGQVAGIUNPNRS-RDTXWAMCSA-N	-1	1	372.381	1.595	50	5		FDBAMM
CC(C)N1C(=O)[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)C1=O	ZINC000229904059	537575725	/nfs/dbraw/zinc/57/57/25/537575725.db2.gz	NECZUMLEHFZZAC-KBXCAEBGSA-N	-1	1	372.381	1.593	50	5		FDBAMM
COc1ccccc1N1C(=O)[C@H]2C(c3ccc([N+](=O)[O-])cc3)=NOC2=C1[O-]	ZINC000103975778	222346487	/nfs/dbraw/zinc/34/64/87/222346487.db2.gz	CLNZFHSJWMAOSN-GOEBONIOSA-N	-1	1	367.317	1.896	50	5		FDBAMM
CCCCn1c(=O)[nH]c([O-])c(C2=NN[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1=O	ZINC000101761995	222284707	/nfs/dbraw/zinc/28/47/07/222284707.db2.gz	UTOQVOZYFUBBNA-GFCCVEGCSA-N	-1	1	373.369	1.389	50	5		FDBAMM
Cc1nn(CC(=O)OCc2cc(=O)oc3cc([O-])ccc23)c(C)c1[N+](=O)[O-]	ZINC000006053850	518361761	/nfs/dbraw/zinc/36/17/61/518361761.db2.gz	JYPVXKBMTCMKTR-UHFFFAOYSA-N	-1	1	373.321	1.964	50	5		FDBAMM
CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)[N-]C(=O)N(C)C2=O	ZINC000008971143	518493145	/nfs/dbraw/zinc/49/31/45/518493145.db2.gz	WREGGTFMZQUSLS-GUYCJALGSA-N	-1	1	360.370	1.450	50	5		FDBAMM
O=C(c1cccs1)C1=NO[C@@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C([O-])=C12	ZINC000103751129	222342203	/nfs/dbraw/zinc/34/22/03/222342203.db2.gz	LWVHIZZHCAGEGE-FZMZJTMJSA-N	-1	1	371.330	1.783	50	5		FDBAMM
CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)[N-]C(=O)N(C)C2=O	ZINC000008973850	518492644	/nfs/dbraw/zinc/49/26/44/518492644.db2.gz	WREGGTFMZQUSLS-CXAGYDPISA-N	-1	1	360.370	1.450	50	5		FDBAMM
COc1ccc(CCN(C)C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1OC	ZINC000030631153	519386715	/nfs/dbraw/zinc/38/67/15/519386715.db2.gz	SKCILTIWBLLIMZ-UHFFFAOYSA-N	-1	1	361.354	1.615	50	5		FDBAMM
C[C@@H](C(=O)Nn1c(=O)c2ccccc2[n-]c1=S)n1cc([N+](=O)[O-])cn1	ZINC000101649299	222279644	/nfs/dbraw/zinc/27/96/44/222279644.db2.gz	ZPTWBOBNPADPFA-QMMMGPOBSA-N	-1	1	360.355	1.121	50	5		FDBAMM
NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)[O-]	ZINC000003884776	518280350	/nfs/dbraw/zinc/28/03/50/518280350.db2.gz	MXFMDWRBRWUENM-UHFFFAOYSA-N	-1	1	352.328	1.379	50	5		FDBAMM
CCCCn1c(=O)[nH]c([O-])c(C2=NN[C@H](c3cccc([N+](=O)[O-])c3)C2)c1=O	ZINC000101762026	222283519	/nfs/dbraw/zinc/28/35/19/222283519.db2.gz	YHFXSOUEQOTMTA-LBPRGKRZSA-N	-1	1	373.369	1.389	50	5		FDBAMM
COCCN1C(=O)C(=C(C)Nc2ccc([N+](=O)[O-])cc2)C(=O)[N-]C1=S	ZINC000105209924	525475511	/nfs/dbraw/zinc/47/55/11/525475511.db2.gz	DJRMKUIHAGXICA-FMIVXFBMSA-N	-1	1	364.383	1.170	50	5		FDBAMM
COc1ccc(C(=O)[N-]C(=O)COc2ccc(OC)cc2[N+](=O)[O-])cc1	ZINC000012934992	220045541	/nfs/dbraw/zinc/04/55/41/220045541.db2.gz	XDBZPJBAEDWGIM-UHFFFAOYSA-N	-1	1	360.322	1.947	50	5		FDBAMM
COc1cc([C@@H]2c3c(C)[nH]nc3NC3=C2C(=O)OC3)cc([N+](=O)[O-])c1[O-]	ZINC000020086524	220313208	/nfs/dbraw/zinc/31/32/08/220313208.db2.gz	KMIXOKHADKEWIE-GFCCVEGCSA-N	-1	1	358.310	1.709	50	5		FDBAMM
O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc3c2OCC[C@H]3O)ccc1[O-]	ZINC000225616563	537555451	/nfs/dbraw/zinc/55/54/51/537555451.db2.gz	ITHFMIHWZMFDJA-CYBMUJFWSA-N	-1	1	366.351	1.917	50	5		FDBAMM