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(C[C@@H]1SC(N2CCOCC2)=NC1=O)Nc1cccc([N+](=O)[O-])c1	ZINC000002646348	204048835	/nfs/dbraw/zinc/04/88/35/204048835.db2.gz	OCYRBMDTGQEGSW-LBPRGKRZSA-N	0	2	364.383	1.254	50	5		FDBALN
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O	ZINC000095444506	525069860	/nfs/dbraw/zinc/06/98/60/525069860.db2.gz	VTGRBAPWGLHLDL-GFCCVEGCSA-N	0	2	357.388	1.443	50	5		FDBALN
COc1ccc(N2C(=O)[C@@H]3ON=C(c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)cc1	ZINC000103573434	206234933	/nfs/dbraw/zinc/23/49/33/206234933.db2.gz	YMLWYIJFKFJQDM-GDBMZVCRSA-N	0	2	367.317	1.896	50	5		FDBALN
CNC(=O)c1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1	ZINC000009338408	518502832	/nfs/dbraw/zinc/50/28/32/518502832.db2.gz	JQUWRAFSGPKBLT-UHFFFAOYSA-N	0	2	365.367	1.764	50	5		FDBALN
COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(O)c([N+](=O)[O-])c1	ZINC000036022142	205000189	/nfs/dbraw/zinc/00/01/89/205000189.db2.gz	XGCNLPUTJYWKEF-ZDUSSCGKSA-N	0	2	351.315	1.118	50	5		FDBALN
CC(=O)[C@@H]1[C@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N[C@]1(O)C(F)(F)F	ZINC000057531213	205243321	/nfs/dbraw/zinc/24/33/21/205243321.db2.gz	NOUGBGSAULFXJN-JFGNBEQYSA-N	0	2	363.248	1.110	50	5		FDBALN
COc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1Br	ZINC000013574909	518662820	/nfs/dbraw/zinc/66/28/20/518662820.db2.gz	POTVOLOHYPSKQW-DUXPYHPUSA-N	0	2	368.143	1.913	50	5		FDBALN
O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cc([N+](=O)[O-])ccc1O	ZINC000035900079	519613114	/nfs/dbraw/zinc/61/31/14/519613114.db2.gz	FFYHNMNKZRAJPY-UHFFFAOYSA-N	0	2	355.306	1.925	50	5		FDBALN
COc1ccc(N2C(=O)[C@@H]3C(c4ccc([N+](=O)[O-])cc4)=NO[C@@H]3C2=O)cc1	ZINC000100898162	525217227	/nfs/dbraw/zinc/21/72/27/525217227.db2.gz	YMLWYIJFKFJQDM-ZBFHGGJFSA-N	0	2	367.317	1.896	50	5		FDBALN
COc1ccc(N2C(=O)[C@H]3ON=C(c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1	ZINC000103573420	206234292	/nfs/dbraw/zinc/23/42/92/206234292.db2.gz	YMLWYIJFKFJQDM-HOCLYGCPSA-N	0	2	367.317	1.896	50	5		FDBALN
COc1cc([C@H]2c3c(C)[nH]nc3NC3=C2C(=O)OC3)cc([N+](=O)[O-])c1O	ZINC000020086521	518843820	/nfs/dbraw/zinc/84/38/20/518843820.db2.gz	KMIXOKHADKEWIE-LBPRGKRZSA-N	0	2	358.310	1.709	50	5		FDBALN
COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(O)c([N+](=O)[O-])c1	ZINC000036022143	519613725	/nfs/dbraw/zinc/61/37/25/519613725.db2.gz	XGCNLPUTJYWKEF-CYBMUJFWSA-N	0	2	351.315	1.118	50	5		FDBALN
Cn1c(O)c(C2=NN[C@@H](c3cccc([N+](=O)[O-])c3)C2)c(=O)n(C)c1=S	ZINC000101494855	525220941	/nfs/dbraw/zinc/22/09/41/525220941.db2.gz	GYJDOTZFGZTTRA-SNVBAGLBSA-N	0	2	361.383	1.506	50	5		FDBALN
COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O	ZINC000036180249	208148978	/nfs/dbraw/zinc/14/89/78/208148978.db2.gz	GFJWIPGRJIVHFX-PKTIUJEHSA-N	0	2	352.324	1.898	50	5		FDBALN
Cc1nn2c(nc(C)c(NS(=O)(=O)c3ccccc3[N+](=O)[O-])c2=O)[nH]1	ZINC000020177850	220317444	/nfs/dbraw/zinc/31/74/44/220317444.db2.gz	RSFPSQMGKWMHEY-UHFFFAOYSA-N	0	2	364.343	1.156	50	5		FDBALN
CCOC(=O)CN1C(=O)S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C1=O	ZINC000013546613	518660979	/nfs/dbraw/zinc/66/09/79/518660979.db2.gz	RYJPTMBHRBJJPC-WDZFZDKYSA-N	0	2	352.324	1.900	50	5		FDBALN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)cc2OCCO)cc1	ZINC000048286088	209329922	/nfs/dbraw/zinc/32/99/22/209329922.db2.gz	YGJNZTRQLRWJFM-UHFFFAOYSA-N	0	2	356.331	1.906	50	5		FDBALN
CCOC(=O)Cc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1	ZINC000002315322	518240004	/nfs/dbraw/zinc/24/00/04/518240004.db2.gz	UWYFMDJTWUHYCH-UHFFFAOYSA-N	0	2	371.396	1.958	50	5		FDBALN
COc1ccccc1N1C(=O)[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O	ZINC000103975771	525383069	/nfs/dbraw/zinc/38/30/69/525383069.db2.gz	CLNZFHSJWMAOSN-HOCLYGCPSA-N	0	2	367.317	1.896	50	5		FDBALN
Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1cc([N+](=O)[O-])c(O)cc1O	ZINC000020131004	211268480	/nfs/dbraw/zinc/26/84/80/211268480.db2.gz	RGXXLKLIJCOKHR-UHFFFAOYSA-N	0	2	361.314	1.660	50	5		FDBALN
Cn1c2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2n(C)c1=O	ZINC000004756674	210562272	/nfs/dbraw/zinc/56/22/72/210562272.db2.gz	XBVDZNROKFMWLL-UHFFFAOYSA-N	0	2	362.367	1.586	50	5		FDBALN
O=C(C=C(O)C(=O)Nc1nc([N+](=O)[O-])cs1)c1cccc([N+](=O)[O-])c1	ZINC000103010974	222318801	/nfs/dbraw/zinc/31/88/01/222318801.db2.gz	GXUNGXWPKYTECE-UHFFFAOYSA-N	0	2	364.295	1.740	50	5		FDBALN
O=C(Cn1cnc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2	ZINC000023198145	211380722	/nfs/dbraw/zinc/38/07/22/211380722.db2.gz	JAKNCQGWWQUKNF-CYBMUJFWSA-N	0	2	358.354	1.926	50	5		FDBALN
CC(=O)[C@@H]1[C@@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N[C@]1(O)C(F)(F)F	ZINC000057531217	522105284	/nfs/dbraw/zinc/10/52/84/522105284.db2.gz	NOUGBGSAULFXJN-CKYFFXLPSA-N	0	2	363.248	1.110	50	5		FDBALN
Cc1cc(Cl)c(S(=O)(=O)Nc2nc3ncccn3n2)cc1[N+](=O)[O-]	ZINC000225461588	537549144	/nfs/dbraw/zinc/54/91/44/537549144.db2.gz	MTYVRKAVLXGFIR-UHFFFAOYSA-N	0	2	368.762	1.795	50	5		FDBALN
O=C(Nc1ccccc1[N+](=O)[O-])C(O)=C1C(=O)Nc2ccccc2[S@@]1=O	ZINC000100721903	222251044	/nfs/dbraw/zinc/25/10/44/222251044.db2.gz	BJDABJDWAIZPSY-RMKBEBRYSA-N	0	2	373.346	1.231	50	5		FDBALN
N=C1NC(=O)C(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)S1	ZINC000004548922	518302318	/nfs/dbraw/zinc/30/23/18/518302318.db2.gz	XYENDOSNFBIOTM-MRVPVSSYSA-N	0	2	373.188	1.852	50	5		FDBALN
N=C1NC(=O)[C@@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)S1	ZINC000004548922	518302327	/nfs/dbraw/zinc/30/23/27/518302327.db2.gz	XYENDOSNFBIOTM-MRVPVSSYSA-N	0	2	373.188	1.852	50	5		FDBALN
CSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(O)c([N+](=O)[O-])c1	ZINC000035839533	519611507	/nfs/dbraw/zinc/61/15/07/519611507.db2.gz	MTZHBAGXNWIUHY-CYBMUJFWSA-N	0	2	367.383	1.835	50	5		FDBALN
CCOCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(O)c([N+](=O)[O-])c1	ZINC000036035420	519613668	/nfs/dbraw/zinc/61/36/68/519613668.db2.gz	NXFOVEOXNFXSPI-AWEZNQCLSA-N	0	2	365.342	1.508	50	5		FDBALN
CCOCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(O)c([N+](=O)[O-])c1	ZINC000036035421	519613429	/nfs/dbraw/zinc/61/34/29/519613429.db2.gz	NXFOVEOXNFXSPI-CQSZACIVSA-N	0	2	365.342	1.508	50	5		FDBALN
CC(=O)[C@@H]1[C@@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N[C@@]1(O)C(F)(F)F	ZINC000226354832	537566099	/nfs/dbraw/zinc/56/60/99/537566099.db2.gz	NOUGBGSAULFXJN-FOGDFJRCSA-N	0	2	363.248	1.110	50	5		FDBALN
COc1ccccc1N1C(=O)[C@@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@H]2C1=O	ZINC000103975784	222347158	/nfs/dbraw/zinc/34/71/58/222347158.db2.gz	CLNZFHSJWMAOSN-GDBMZVCRSA-N	0	2	367.317	1.896	50	5		FDBALN
CN(C)C(=O)C(C)(C)NS(=O)(=O)c1c(F)cc([N+](=O)[O-])cc1F	ZINC000072307557	522209797	/nfs/dbraw/zinc/20/97/97/522209797.db2.gz	HJXUWBLPKNQWTM-UHFFFAOYSA-N	0	2	351.331	1.018	50	5		FDBALN
Cn1c(O)c(C2=NN[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)n(C)c1=S	ZINC000101494779	222276265	/nfs/dbraw/zinc/27/62/65/222276265.db2.gz	DDUQNEQCKPSHHO-JTQLQIEISA-N	0	2	361.383	1.506	50	5		FDBALN
Cn1c(O)c(C2=NN[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)n(C)c1=S	ZINC000101494784	222276350	/nfs/dbraw/zinc/27/63/50/222276350.db2.gz	DDUQNEQCKPSHHO-SNVBAGLBSA-N	0	2	361.383	1.506	50	5		FDBALN
O=C(Nc1ccccc1[N+](=O)[O-])C(O)=C1C(=O)Nc2ccccc2[S@]1=O	ZINC000005739294	518353863	/nfs/dbraw/zinc/35/38/63/518353863.db2.gz	BJDABJDWAIZPSY-RXBISOJRSA-N	0	2	373.346	1.231	50	5		FDBALN
O=C(Nc1ccccc1[N+](=O)[O-])C(O)=C1C(=O)Nc2ccccc2[S@]1=O	ZINC000100721898	222250432	/nfs/dbraw/zinc/25/04/32/222250432.db2.gz	BJDABJDWAIZPSY-PTFIGZPYSA-N	0	2	373.346	1.231	50	5		FDBALN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)N(C)C)n1	ZINC000084190120	571078612	/nfs/dbraw/zinc/07/86/12/571078612.db2.gz	UIBPBYJCTXBCPG-UHFFFAOYSA-N	0	2	364.383	1.801	50	5		FDBALN
CCOC(=O)Cc1csc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1	ZINC000006088635	518362421	/nfs/dbraw/zinc/36/24/21/518362421.db2.gz	GIDZENNFVLMYKK-UHFFFAOYSA-N	0	2	371.396	1.958	50	5		FDBALN
COCCOc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC	ZINC000009239049	518501693	/nfs/dbraw/zinc/50/16/93/518501693.db2.gz	YILZGVNGBLDXJO-HWKANZROSA-N	0	2	363.326	1.176	50	5		FDBALN
Cc1[nH+]c2cc([N-]S(=O)(=O)c3cn(C)nc3[N+](=O)[O-])ccc2n1C	ZINC000084287077	571081191	/nfs/dbraw/zinc/08/11/91/571081191.db2.gz	FKRIGEPIHURMQW-UHFFFAOYSA-N	0	2	350.360	1.324	50	5		FDBALN
Cn1ncc([N+](=O)[O-])c1NS(=O)(=O)c1ccc(OCC(F)F)cc1	ZINC000170597344	525639945	/nfs/dbraw/zinc/63/99/45/525639945.db2.gz	IZIVHJMLEATFPJ-UHFFFAOYSA-N	0	2	362.314	1.773	50	5		FDBALN
COC(=O)c1nscc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000079075822	523699375	/nfs/dbraw/zinc/69/93/75/523699375.db2.gz	PYVPVJYHPGNLBD-UHFFFAOYSA-N	0	2	373.368	1.647	50	5		FDBALN
COC(=O)Cn1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cn1	ZINC000054040712	206329895	/nfs/dbraw/zinc/32/98/95/206329895.db2.gz	SLJCAWALECQORC-UHFFFAOYSA-N	0	2	354.344	1.074	50	5		FDBALN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(O)c(Br)c2)[nH]1	ZINC000030840436	519395003	/nfs/dbraw/zinc/39/50/03/519395003.db2.gz	UCKWOQZFDRKOMP-IWQZZHSRSA-N	0	2	354.116	1.610	50	5		FDBALN
COCCOc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1OC	ZINC000009238416	204359943	/nfs/dbraw/zinc/35/99/43/204359943.db2.gz	NHDUOFVZQXAHKT-HWKANZROSA-N	0	2	363.326	1.176	50	5		FDBALN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3ncccn3n2)c(Cl)c1	ZINC000225550336	537553263	/nfs/dbraw/zinc/55/32/63/537553263.db2.gz	NPZGCANLJNRMFQ-UHFFFAOYSA-N	0	2	354.735	1.487	50	5		FDBALN
O=C(C[C@H]1SC(N2CCOCC2)=NC1=O)Nc1cccc([N+](=O)[O-])c1	ZINC000002646349	204049407	/nfs/dbraw/zinc/04/94/07/204049407.db2.gz	OCYRBMDTGQEGSW-GFCCVEGCSA-N	0	2	364.383	1.254	50	5		FDBALN
COCCc1nsc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n1	ZINC000225743999	537558556	/nfs/dbraw/zinc/55/85/56/537558556.db2.gz	WETFRNZWSFOYFC-UHFFFAOYSA-N	0	2	358.401	1.744	50	5		FDBALN
Cn1c(O)c(C2=NN[C@H](c3cccc([N+](=O)[O-])c3)C2)c(=O)n(C)c1=S	ZINC000101494853	209226726	/nfs/dbraw/zinc/22/67/26/209226726.db2.gz	GYJDOTZFGZTTRA-JTQLQIEISA-N	0	2	361.383	1.506	50	5		FDBALN
O=C(Nc1ccccc1[N+](=O)[O-])C(O)=C1C(=O)Nc2ccccc2[S@@]1=O	ZINC000005739309	207114385	/nfs/dbraw/zinc/11/43/85/207114385.db2.gz	BJDABJDWAIZPSY-IYJVBRSBSA-N	0	2	373.346	1.231	50	5		FDBALN
CCCCn1c(=O)[nH]c(O)c(C2=NN[C@@H](c3cccc([N+](=O)[O-])c3)C2)c1=O	ZINC000101762028	209229771	/nfs/dbraw/zinc/22/97/71/209229771.db2.gz	YHFXSOUEQOTMTA-GFCCVEGCSA-N	0	2	373.369	1.389	50	5		FDBALN
CCCCn1c(O)c(C2=NN[C@@H](c3cccc([N+](=O)[O-])c3)C2)c(=O)[nH]c1=O	ZINC000101762028	209229773	/nfs/dbraw/zinc/22/97/73/209229773.db2.gz	YHFXSOUEQOTMTA-GFCCVEGCSA-N	0	2	373.369	1.389	50	5		FDBALN
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O	ZINC000036180246	208148818	/nfs/dbraw/zinc/14/88/18/208148818.db2.gz	GFJWIPGRJIVHFX-KEXZDQNZSA-N	0	2	352.324	1.898	50	5		FDBALN
COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(OC)cc2F)cn1	ZINC000253425685	571313090	/nfs/dbraw/zinc/31/30/90/571313090.db2.gz	VTSDMUCIRUBEHF-UHFFFAOYSA-N	0	2	357.319	1.947	50	5		FDBALN
CCOC(=O)COc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1	ZINC000005060408	518329078	/nfs/dbraw/zinc/32/90/78/518329078.db2.gz	VNVOWFIOCNDAED-VMPITWQZSA-N	0	2	361.310	1.496	50	5		FDBALN
CS(=O)(=O)Nc1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000012526304	518618746	/nfs/dbraw/zinc/61/87/46/518618746.db2.gz	RJGRHADFJBXSNL-UHFFFAOYSA-N	0	2	371.396	1.767	50	5		FDBALN
CCOCCc1nnc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])s1	ZINC000013838894	211062244	/nfs/dbraw/zinc/06/22/44/211062244.db2.gz	HCFNPWISURHLRS-UHFFFAOYSA-N	0	2	358.401	1.826	50	5		FDBALN
CCCCn1c(=O)[nH]c(O)c(C2=NN[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1=O	ZINC000101761992	222284302	/nfs/dbraw/zinc/28/43/02/222284302.db2.gz	UTOQVOZYFUBBNA-LBPRGKRZSA-N	0	2	373.369	1.389	50	5		FDBALN
CCCCn1c(O)c(C2=NN[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)[nH]c1=O	ZINC000101761992	222284304	/nfs/dbraw/zinc/28/43/04/222284304.db2.gz	UTOQVOZYFUBBNA-LBPRGKRZSA-N	0	2	373.369	1.389	50	5		FDBALN
COC(=O)COc1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000024957434	519025721	/nfs/dbraw/zinc/02/57/21/519025721.db2.gz	DKAKFVYEKSSRGC-UHFFFAOYSA-N	0	2	366.351	1.947	50	5		FDBALN
CSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(O)c([N+](=O)[O-])c1	ZINC000035839530	519611630	/nfs/dbraw/zinc/61/16/30/519611630.db2.gz	MTZHBAGXNWIUHY-ZDUSSCGKSA-N	0	2	367.383	1.835	50	5		FDBALN
CCOC(=O)CN1C(=O)S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O	ZINC000036383965	519621489	/nfs/dbraw/zinc/62/14/89/519621489.db2.gz	RYJPTMBHRBJJPC-IZZDOVSWSA-N	0	2	352.324	1.900	50	5		FDBALN
CS(=O)(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	ZINC000002852181	487470505	/nfs/dbraw/zinc/47/05/05/487470505.db2.gz	SEHYEUQFPKNYST-UHFFFAOYSA-N	0	2	363.398	1.256	50	5		FDBALN
CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000008036095	518449860	/nfs/dbraw/zinc/44/98/60/518449860.db2.gz	NXWIVQITQRJSTR-UHFFFAOYSA-N	0	2	356.381	1.799	50	5		FDBALN
O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000011117255	518553326	/nfs/dbraw/zinc/55/33/26/518553326.db2.gz	BXCKQWVWUVSEOQ-UHFFFAOYSA-N	0	2	358.354	1.462	50	5		FDBALN
CCOC(=O)c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	ZINC000079105417	523704483	/nfs/dbraw/zinc/70/44/83/523704483.db2.gz	WMEUGBDVGJUNSW-UHFFFAOYSA-N	0	2	358.357	1.424	50	5		FDBALN
CCn1cc(S(=O)(=O)Nc2ccc(N3CCCC3)nc2)c([N+](=O)[O-])n1	ZINC000089305598	524487980	/nfs/dbraw/zinc/48/79/80/524487980.db2.gz	VIOSRDXRLDDSML-UHFFFAOYSA-N	0	2	366.403	1.607	50	5		FDBALN
CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O	ZINC000095444507	525069976	/nfs/dbraw/zinc/06/99/76/525069976.db2.gz	VTGRBAPWGLHLDL-LBPRGKRZSA-N	0	2	357.388	1.443	50	5		FDBALN
CCCCn1c(=O)[nH]c(O)c(C2=NN[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1=O	ZINC000101761995	222284712	/nfs/dbraw/zinc/28/47/12/222284712.db2.gz	UTOQVOZYFUBBNA-GFCCVEGCSA-N	0	2	373.369	1.389	50	5		FDBALN
CCCCn1c(O)c(C2=NN[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)[nH]c1=O	ZINC000101761995	222284715	/nfs/dbraw/zinc/28/47/15/222284715.db2.gz	UTOQVOZYFUBBNA-GFCCVEGCSA-N	0	2	373.369	1.389	50	5		FDBALN
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc([N+](=O)[O-])c(O)c1	ZINC000019912920	220305044	/nfs/dbraw/zinc/30/50/44/220305044.db2.gz	LSYFOCATSFBMPN-UHFFFAOYSA-N	0	2	362.338	1.881	50	5		FDBALN
COc1ccccc1N1C(=O)[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NO[C@@H]2C1=O	ZINC000100867690	222255278	/nfs/dbraw/zinc/25/52/78/222255278.db2.gz	CLNZFHSJWMAOSN-ZBFHGGJFSA-N	0	2	367.317	1.896	50	5		FDBALN
CS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1	ZINC000040150895	519641303	/nfs/dbraw/zinc/64/13/03/519641303.db2.gz	CHPBNSIAVSKIDL-UHFFFAOYSA-N	0	2	374.371	1.938	50	5		FDBALN
COC(=O)C(C(=O)OC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000003883821	518279170	/nfs/dbraw/zinc/27/91/70/518279170.db2.gz	JKMZBBUTIMVZME-UHFFFAOYSA-N	0	2	366.204	1.951	50	5		FDBALN
CC(C)(C)OC(=O)C[S@@](=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000000952010	518223228	/nfs/dbraw/zinc/22/32/28/518223228.db2.gz	HMVYESCICYSOEP-QFIPXVFZSA-N	0	2	363.413	1.448	50	5		FDBALN
CCCCn1c(=O)[nH]c(O)c(C2=NN[C@H](c3cccc([N+](=O)[O-])c3)C2)c1=O	ZINC000101762026	222283523	/nfs/dbraw/zinc/28/35/23/222283523.db2.gz	YHFXSOUEQOTMTA-LBPRGKRZSA-N	0	2	373.369	1.389	50	5		FDBALN
CCCCn1c(O)c(C2=NN[C@H](c3cccc([N+](=O)[O-])c3)C2)c(=O)[nH]c1=O	ZINC000101762026	222283526	/nfs/dbraw/zinc/28/35/26/222283526.db2.gz	YHFXSOUEQOTMTA-LBPRGKRZSA-N	0	2	373.369	1.389	50	5		FDBALN
CCOC(=O)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)[nH]n1	ZINC000096005686	525120907	/nfs/dbraw/zinc/12/09/07/525120907.db2.gz	DCYFHQIMEIGSCZ-UHFFFAOYSA-N	0	2	354.344	1.604	50	5		FDBALN
CCOC(=O)CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2O)C1=O	ZINC000012730055	220022883	/nfs/dbraw/zinc/02/28/83/220022883.db2.gz	NNPVNSCMBITYJA-UXBLZVDNSA-N	0	2	352.324	1.900	50	5		FDBALN
COc1cc([C@@H]2c3c(C)[nH]nc3NC3=C2C(=O)OC3)cc([N+](=O)[O-])c1O	ZINC000020086524	220313211	/nfs/dbraw/zinc/31/32/11/220313211.db2.gz	KMIXOKHADKEWIE-GFCCVEGCSA-N	0	2	358.310	1.709	50	5		FDBALN
N=C1NC(=O)C(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)S1	ZINC000004548924	518303435	/nfs/dbraw/zinc/30/34/35/518303435.db2.gz	XYENDOSNFBIOTM-QMMMGPOBSA-N	0	2	373.188	1.852	50	5		FDBALN
N=C1NC(=O)[C@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)S1	ZINC000004548924	518303443	/nfs/dbraw/zinc/30/34/43/518303443.db2.gz	XYENDOSNFBIOTM-QMMMGPOBSA-N	0	2	373.188	1.852	50	5		FDBALN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(NC(N)=O)c1	ZINC000029323325	519287541	/nfs/dbraw/zinc/28/75/41/519287541.db2.gz	MMUHTIZQVBVQCE-UHFFFAOYSA-N	0	2	366.355	1.895	50	5		FDBALN
CC(=O)[C@@H]1[C@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N[C@@]1(O)C(F)(F)F	ZINC000226354843	537565272	/nfs/dbraw/zinc/56/52/72/537565272.db2.gz	NOUGBGSAULFXJN-SCVCMEIPSA-N	0	2	363.248	1.110	50	5		FDBALN