smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000177005154	174100366	/nfs/dbraw/zinc/10/03/66/174100366.db2.gz	RKTQOHHXSDKBMY-GFCCVEGCSA-N	-1	3	351.388	1.617	10	5		FDBEHM
CCc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000157093310	524208171	/nfs/dbraw/zinc/20/81/71/524208171.db2.gz	FTBMPPMPTRYGSP-LBPRGKRZSA-N	-1	3	365.415	1.871	10	5		FDBEHM
CC(C)c1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CC2	ZINC000159357377	524652362	/nfs/dbraw/zinc/65/23/62/524652362.db2.gz	SLOSAEXANKPPOO-NSHDSACASA-N	-1	3	365.415	1.603	10	5		FDBEHM
Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-]	ZINC000177002291	525218221	/nfs/dbraw/zinc/21/82/21/525218221.db2.gz	FDXIRQLPGHCILO-GFCCVEGCSA-N	-1	3	365.415	1.925	10	5		FDBEHM
Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C	ZINC000183110056	535921002	/nfs/dbraw/zinc/92/10/02/535921002.db2.gz	XDQCSJFNJPLWNZ-LLVKDONJSA-N	-1	3	369.378	1.756	10	5		FDBEHM
Cc1cc(N2CCO[C@@H](CN(C)CC(=O)[O-])C2)c2cccc([N+](=O)[O-])c2n1	ZINC000263403269	537028006	/nfs/dbraw/zinc/02/80/06/537028006.db2.gz	JQVWABYNAPOEBF-ZDUSSCGKSA-N	-1	3	374.397	1.673	10	5		FDBEHM
CCc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CC2	ZINC000114874857	172638664	/nfs/dbraw/zinc/63/86/64/172638664.db2.gz	FMYLXRIMDDNCQG-SECBINFHSA-N	-1	3	369.378	1.181	10	5		FDBEHM
Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-]	ZINC000177001248	525217109	/nfs/dbraw/zinc/21/71/09/525217109.db2.gz	PPZWLJCABFDVFE-LLVKDONJSA-N	-1	3	351.388	1.617	10	5		FDBEHM
COc1c(F)cc(S(=O)(=O)[N-]CCn2cc(C)cn2)cc1[N+](=O)[O-]	ZINC000187072262	536253950	/nfs/dbraw/zinc/25/39/50/536253950.db2.gz	AZKBNJXXDWUUHL-UHFFFAOYSA-N	-1	3	358.351	1.226	10	5		FDBEHM
O=C([O-])c1ccnc(NC[C@]2(O)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-]	ZINC000705402878	977276799	/nfs/dbraw/zinc/27/67/99/977276799.db2.gz	KBMWKALRHRPZMR-GOSISDBHSA-N	-1	3	372.381	1.737	10	5		FDBEHM
CCc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])CC2	ZINC000114874619	524903839	/nfs/dbraw/zinc/90/38/39/524903839.db2.gz	AOFJJTSYDDCVLQ-LLVKDONJSA-N	-1	3	365.415	1.350	10	5		FDBEHM
CN(CC(=O)[O-])C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1	ZINC000262889520	536930937	/nfs/dbraw/zinc/93/09/37/536930937.db2.gz	OLJGSYLRUYNEON-LLVKDONJSA-N	-1	3	371.777	1.106	10	5		FDBEHM
CC(C)c1ccc(CN2CCO[C@H](CN(C)CC(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000263491731	537039070	/nfs/dbraw/zinc/03/90/70/537039070.db2.gz	IRKHSWSKBDJSQU-OAHLLOKOSA-N	-1	3	365.430	1.935	10	5		FDBEHM
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCO[C@H](CN(C)CC(=O)[O-])C1	ZINC000263579102	537047660	/nfs/dbraw/zinc/04/76/60/537047660.db2.gz	UDISYMFNGSNZFO-UKRRQHHQSA-N	-1	3	351.403	1.681	10	5		FDBEHM
COc1ccc(S(=O)(=O)[N-][C@@H]2CN(C(C)C)C[C@@H]2C)c([N+](=O)[O-])c1	ZINC000247173289	537089791	/nfs/dbraw/zinc/08/97/91/537089791.db2.gz	RIIVHOBGWHOLHY-WCQYABFASA-N	-1	3	357.432	1.610	10	5		FDBEHM
Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000177006079	174100670	/nfs/dbraw/zinc/10/06/70/174100670.db2.gz	OZIVZIGMYCXSCY-NSHDSACASA-N	-1	3	355.351	1.447	10	5		FDBEHM
O=C([O-])c1cnc(NC[C@]2(O)CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1	ZINC000702576935	977093781	/nfs/dbraw/zinc/09/37/81/977093781.db2.gz	SOPHGXIXURMVOQ-GOSISDBHSA-N	-1	3	372.381	1.737	10	5		FDBEHM
CCc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000157086907	173609030	/nfs/dbraw/zinc/60/90/30/173609030.db2.gz	NXHGKEXVKYUULR-NSHDSACASA-N	-1	3	369.378	1.701	10	5		FDBEHM
CC(C)c1nnc2n1C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CC2	ZINC000181725934	525907347	/nfs/dbraw/zinc/90/73/47/525907347.db2.gz	MHZKLQWFBDTPRT-LLVKDONJSA-N	-1	3	365.415	1.603	10	5		FDBEHM
CC(C)c1ccc(CN2CCO[C@@H](CN(C)CC(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000263491729	537038804	/nfs/dbraw/zinc/03/88/04/537038804.db2.gz	IRKHSWSKBDJSQU-HNNXBMFYSA-N	-1	3	365.430	1.935	10	5		FDBEHM
CCc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C	ZINC000157073531	524204948	/nfs/dbraw/zinc/20/49/48/524204948.db2.gz	HQABGHJEAPCBHN-NSHDSACASA-N	-1	3	365.415	1.871	10	5		FDBEHM
COc1ccc(S(=O)(=O)[N-][C@@H]2CN(C(C)C)C[C@H]2C)c([N+](=O)[O-])c1	ZINC000247173283	537090022	/nfs/dbraw/zinc/09/00/22/537090022.db2.gz	RIIVHOBGWHOLHY-DGCLKSJQSA-N	-1	3	357.432	1.610	10	5		FDBEHM
Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000177005953	174100064	/nfs/dbraw/zinc/10/00/64/174100064.db2.gz	KRUGFUCHNCLKQY-LLVKDONJSA-N	-1	3	371.806	1.962	10	5		FDBEHM
Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000177005168	174100478	/nfs/dbraw/zinc/10/04/78/174100478.db2.gz	RKTQOHHXSDKBMY-LBPRGKRZSA-N	-1	3	351.388	1.617	10	5		FDBEHM
Cc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCCn3ncnc32)cc1[N+](=O)[O-]	ZINC000176750515	174086676	/nfs/dbraw/zinc/08/66/76/174086676.db2.gz	CNAGAHLSBXXOQV-JTQLQIEISA-N	-1	3	371.806	1.962	10	5		FDBEHM
CN(CC(=O)[O-])C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCO1	ZINC000262894865	536931386	/nfs/dbraw/zinc/93/13/86/536931386.db2.gz	HINZUCUPZCVONU-CYBMUJFWSA-N	-1	3	371.777	1.106	10	5		FDBEHM
CN1CCN(N=c2nc[n-]c(NCc3ccc(F)cc3)c2[N+](=O)[O-])CC1	ZINC000040623791	208258872	/nfs/dbraw/zinc/25/88/72/208258872.db2.gz	KWWAFIIYOWTKAV-UHFFFAOYSA-N	-1	3	361.381	1.710	10	5		FDBEHM
Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCn3ncnc32)cc1[N+](=O)[O-]	ZINC000176750504	174086396	/nfs/dbraw/zinc/08/63/96/174086396.db2.gz	CNAGAHLSBXXOQV-SNVBAGLBSA-N	-1	3	371.806	1.962	10	5		FDBEHM
COc1cc(CN[C@H]2CCCN(c3cccnn3)C2)c([N+](=O)[O-])cc1[O-]	ZINC000109070789	526070265	/nfs/dbraw/zinc/07/02/65/526070265.db2.gz	YVHDFTOMMWOCAL-ZDUSSCGKSA-N	-1	3	359.386	1.858	10	5		FDBEHM
CC(=O)c1cc(N2CCO[C@H](CN(C)CC(=O)[O-])C2)ccc1[N+](=O)[O-]	ZINC000262166967	672739687	/nfs/dbraw/zinc/73/96/87/672739687.db2.gz	UMAJRDZGMIRXOB-CYBMUJFWSA-N	-1	3	351.359	1.019	10	5		FDBEHM
O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@]2(O)CCN(Cc3ccccc3)C2)n1	ZINC000702575979	977093601	/nfs/dbraw/zinc/09/36/01/977093601.db2.gz	AUCWGZARTYZPFE-GOSISDBHSA-N	-1	3	372.381	1.737	10	5		FDBEHM
Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-]	ZINC000121343245	524228095	/nfs/dbraw/zinc/22/80/95/524228095.db2.gz	JMEFPAMRNGMZER-GFCCVEGCSA-N	-1	3	365.415	1.925	10	5		FDBEHM
Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CCCn3ncnc32)c1[N+](=O)[O-]	ZINC000190062317	537134037	/nfs/dbraw/zinc/13/40/37/537134037.db2.gz	KUZLTYHHHYYMPA-NSHDSACASA-N	-1	3	351.388	1.617	10	5		FDBEHM
COc1ccc(S(=O)(=O)[N-]CCCc2cnn(C)c2)c([N+](=O)[O-])c1	ZINC000102661951	172353671	/nfs/dbraw/zinc/35/36/71/172353671.db2.gz	TYABUDZBJITAQU-UHFFFAOYSA-N	-1	3	354.388	1.248	10	5		FDBEHM
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2CCCn3ncnc32)c1	ZINC000180113075	258362252	/nfs/dbraw/zinc/36/22/52/258362252.db2.gz	YQMHTYQBYZNWQG-SECBINFHSA-N	-1	3	371.806	1.962	10	5		FDBEHM
Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-]	ZINC000121343432	524228049	/nfs/dbraw/zinc/22/80/49/524228049.db2.gz	JMEFPAMRNGMZER-LBPRGKRZSA-N	-1	3	365.415	1.925	10	5		FDBEHM
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@H]2CN(C)CCO2)c1	ZINC000182532625	526200569	/nfs/dbraw/zinc/20/05/69/526200569.db2.gz	UMXQQUZQXSRFPM-JTQLQIEISA-N	-1	3	363.823	1.166	10	5		FDBEHM
CN(CC(=O)[O-])C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCO1	ZINC000262894872	536931678	/nfs/dbraw/zinc/93/16/78/536931678.db2.gz	HINZUCUPZCVONU-ZDUSSCGKSA-N	-1	3	371.777	1.106	10	5		FDBEHM
CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1	ZINC000190659503	178015356	/nfs/dbraw/zinc/01/53/56/178015356.db2.gz	LAGJCTUEYHVDGP-AWEZNQCLSA-N	-1	3	371.397	1.685	10	5		FDBEHM
CCc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000157081456	173607934	/nfs/dbraw/zinc/60/79/34/173607934.db2.gz	WNMJMBAFDDGXFI-LBPRGKRZSA-N	-1	3	365.415	1.871	10	5		FDBEHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCn3ncnc32)c(Cl)c1	ZINC000176749969	174086277	/nfs/dbraw/zinc/08/62/77/174086277.db2.gz	JDHKQSZLYSCSIE-JTQLQIEISA-N	-1	3	357.779	1.653	10	5		FDBEHM
O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000184427566	536150418	/nfs/dbraw/zinc/15/04/18/536150418.db2.gz	DUHCHYDDIMMCPB-INIZCTEOSA-N	-1	3	371.393	1.449	10	5		FDBEHM
CN(CC(=O)[O-])C[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1	ZINC000262889521	536930757	/nfs/dbraw/zinc/93/07/57/536930757.db2.gz	OLJGSYLRUYNEON-NSHDSACASA-N	-1	3	371.777	1.106	10	5		FDBEHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1cccnc1-n1cncn1	ZINC000045745581	522147418	/nfs/dbraw/zinc/14/74/18/522147418.db2.gz	XMIBYLARDJKIPE-UHFFFAOYSA-N	-1	3	360.355	1.049	10	5		FDBEHM
Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000177006096	174100186	/nfs/dbraw/zinc/10/01/86/174100186.db2.gz	OZIVZIGMYCXSCY-LLVKDONJSA-N	-1	3	355.351	1.447	10	5		FDBEHM
C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1nnc2n1CCCC2	ZINC000121777565	524360312	/nfs/dbraw/zinc/36/03/12/524360312.db2.gz	LCLHPOSQSXGIPE-JTQLQIEISA-N	-1	3	351.388	1.562	10	5		FDBEHM
CC(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(N)=O	ZINC000163347789	525394512	/nfs/dbraw/zinc/39/45/12/525394512.db2.gz	KOFYQFPHKBVTFJ-JTQLQIEISA-N	-1	3	369.321	1.402	10	5		FDBEHM
CN(CC(=O)[O-])C[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CCO1	ZINC000262794650	536902565	/nfs/dbraw/zinc/90/25/65/536902565.db2.gz	DLWMQKUFDNVWQU-SNVBAGLBSA-N	-1	3	371.777	1.106	10	5		FDBEHM
COc1ccc(S(=O)(=O)[N-][C@H](CC(C)C)CN(C)C)c([N+](=O)[O-])c1	ZINC000189137784	537003511	/nfs/dbraw/zinc/00/35/11/537003511.db2.gz	JQEJKANFDQFTRF-GFCCVEGCSA-N	-1	3	359.448	1.858	10	5		FDBEHM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCCCC1	ZINC000055263814	523782267	/nfs/dbraw/zinc/78/22/67/523782267.db2.gz	GVINXIKXNXHVTC-LBPRGKRZSA-N	-1	3	355.416	1.583	10	5		FDBEHM
CCc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-]	ZINC000157085847	524206370	/nfs/dbraw/zinc/20/63/70/524206370.db2.gz	OLJBZAXNEGBYHL-NSHDSACASA-N	-1	3	365.415	1.871	10	5		FDBEHM
Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CCc3ncnn3C2)c1[N+](=O)[O-]	ZINC000189968239	537123207	/nfs/dbraw/zinc/12/32/07/537123207.db2.gz	PWVATNSTNDANCN-NSHDSACASA-N	-1	3	351.388	1.096	10	5		FDBEHM
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@@H]2CN(C)CCO2)c1	ZINC000182532609	526200238	/nfs/dbraw/zinc/20/02/38/526200238.db2.gz	UMXQQUZQXSRFPM-SNVBAGLBSA-N	-1	3	363.823	1.166	10	5		FDBEHM
CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CCN(CCn2cccn2)CC1	ZINC000185759666	536216854	/nfs/dbraw/zinc/21/68/54/536216854.db2.gz	USSBHSXHAXMJSZ-UHFFFAOYSA-N	-1	3	373.413	1.734	10	5		FDBEHM
Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C	ZINC000177007000	174100394	/nfs/dbraw/zinc/10/03/94/174100394.db2.gz	HSOSTVZJDZGPKB-LLVKDONJSA-N	-1	3	351.388	1.617	10	5		FDBEHM
CC(C)C(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000133647185	173270667	/nfs/dbraw/zinc/27/06/67/173270667.db2.gz	HOKXZBZFCCTEGD-UHFFFAOYSA-N	-1	3	365.205	1.861	10	5		FDBEHM
C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1nnc2n1CCCC2	ZINC000121777706	524361610	/nfs/dbraw/zinc/36/16/10/524361610.db2.gz	LCLHPOSQSXGIPE-SNVBAGLBSA-N	-1	3	351.388	1.562	10	5		FDBEHM
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCc2ncnn2C1	ZINC000113299169	524666995	/nfs/dbraw/zinc/66/69/95/524666995.db2.gz	YTTQFBADDCDQRJ-VIFPVBQESA-N	-1	3	357.779	1.133	10	5		FDBEHM
Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-]	ZINC000177002309	525218538	/nfs/dbraw/zinc/21/85/38/525218538.db2.gz	FDXIRQLPGHCILO-LBPRGKRZSA-N	-1	3	365.415	1.925	10	5		FDBEHM
CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1	ZINC000190659524	178015005	/nfs/dbraw/zinc/01/50/05/178015005.db2.gz	LAGJCTUEYHVDGP-CQSZACIVSA-N	-1	3	371.397	1.685	10	5		FDBEHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCc3ncnn3C2)c(Cl)c1	ZINC000113298348	524667350	/nfs/dbraw/zinc/66/73/50/524667350.db2.gz	DVRKGGVULVQZGR-MRVPVSSYSA-N	-1	3	357.779	1.133	10	5		FDBEHM
CN(CC(=O)[O-])C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1	ZINC000263000559	536958214	/nfs/dbraw/zinc/95/82/14/536958214.db2.gz	WZKXDNQRFCAKCY-LLVKDONJSA-N	-1	3	371.777	1.106	10	5		FDBEHM
CCOC(=O)[C@@]([O-])(CC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)(F)F	ZINC000002770546	518249448	/nfs/dbraw/zinc/24/94/48/518249448.db2.gz	AQBOFPXRVZEPLB-LBPRGKRZSA-N	-1	3	350.249	1.780	10	5		FDBEHM
O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000182113122	526060264	/nfs/dbraw/zinc/06/02/64/526060264.db2.gz	RGTGYWWDWVWVOO-INIZCTEOSA-N	-1	3	371.393	1.449	10	5		FDBEHM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCc3ncnn3C2)cc1C	ZINC000113298686	524667069	/nfs/dbraw/zinc/66/70/69/524667069.db2.gz	ZZMHVIMMFITGAH-NSHDSACASA-N	-1	3	351.388	1.096	10	5		FDBEHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCc3ncnn3C2)c(Cl)c1	ZINC000113298350	524667231	/nfs/dbraw/zinc/66/72/31/524667231.db2.gz	DVRKGGVULVQZGR-QMMMGPOBSA-N	-1	3	357.779	1.133	10	5		FDBEHM
CCc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000157064790	524203118	/nfs/dbraw/zinc/20/31/18/524203118.db2.gz	CMOGZFQBJFKXSK-QMMMGPOBSA-N	-1	3	357.417	1.624	10	5		FDBEHM
Cn1cc(CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1	ZINC000102661867	172353783	/nfs/dbraw/zinc/35/37/83/172353783.db2.gz	JGCIVQSPJGNYMP-UHFFFAOYSA-N	-1	3	358.807	1.893	10	5		FDBEHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCNc1nc2ccccc2[nH]1	ZINC000301871000	259035233	/nfs/dbraw/zinc/03/52/33/259035233.db2.gz	IRWOFNQMABSVQH-UHFFFAOYSA-N	-1	3	361.383	1.862	10	5		FDBEHM
C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1nnc2n1CCCC2	ZINC000121772813	524359100	/nfs/dbraw/zinc/35/91/00/524359100.db2.gz	ZUZXABKYFBLVCH-QMMMGPOBSA-N	-1	3	357.417	1.624	10	5		FDBEHM
Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C	ZINC000183110077	535921451	/nfs/dbraw/zinc/92/14/51/535921451.db2.gz	XDQCSJFNJPLWNZ-NSHDSACASA-N	-1	3	369.378	1.756	10	5		FDBEHM
Cc1cc(N2CCO[C@H](CN(C)CC(=O)[O-])C2)c2cccc([N+](=O)[O-])c2n1	ZINC000263403267	537028491	/nfs/dbraw/zinc/02/84/91/537028491.db2.gz	JQVWABYNAPOEBF-CYBMUJFWSA-N	-1	3	374.397	1.673	10	5		FDBEHM
Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C	ZINC000192015663	178084587	/nfs/dbraw/zinc/08/45/87/178084587.db2.gz	CIDDBHAZKOKWPY-GFCCVEGCSA-N	-1	3	365.415	1.925	10	5		FDBEHM
CCc1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])CC2	ZINC000114874621	524902905	/nfs/dbraw/zinc/90/29/05/524902905.db2.gz	AOFJJTSYDDCVLQ-NSHDSACASA-N	-1	3	365.415	1.350	10	5		FDBEHM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCc3ncnn3C2)c1C	ZINC000120588627	526119029	/nfs/dbraw/zinc/11/90/29/526119029.db2.gz	XCVKCBZWDFFTKN-LLVKDONJSA-N	-1	3	351.388	1.096	10	5		FDBEHM
CN(CC(=O)[O-])C[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CCO1	ZINC000262793904	536902197	/nfs/dbraw/zinc/90/21/97/536902197.db2.gz	DLWMQKUFDNVWQU-JTQLQIEISA-N	-1	3	371.777	1.106	10	5		FDBEHM
O=C([O-])c1ccnc(NC[C@@]2(O)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-]	ZINC000705402884	977277184	/nfs/dbraw/zinc/27/71/84/977277184.db2.gz	KBMWKALRHRPZMR-SFHVURJKSA-N	-1	3	372.381	1.737	10	5		FDBEHM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](O)CN1CCCCC1	ZINC000158959739	524562308	/nfs/dbraw/zinc/56/23/08/524562308.db2.gz	MEVSJHHKLHALEF-CYBMUJFWSA-N	-1	3	357.432	1.028	10	5		FDBEHM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCc3ncnn3C2)cc1C	ZINC000113298683	524666984	/nfs/dbraw/zinc/66/69/84/524666984.db2.gz	ZZMHVIMMFITGAH-LLVKDONJSA-N	-1	3	351.388	1.096	10	5		FDBEHM
CCN1CCC[C@H]([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)C1	ZINC000186617319	536238772	/nfs/dbraw/zinc/23/87/72/536238772.db2.gz	QEZNKFSBZOXZJZ-JTQLQIEISA-N	-1	3	361.395	1.505	10	5		FDBEHM
Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CN(C)CCO2)cc1[N+](=O)[O-]	ZINC000176684861	174082772	/nfs/dbraw/zinc/08/27/72/174082772.db2.gz	TXYZSFZMLFHXAV-SNVBAGLBSA-N	-1	3	363.823	1.166	10	5		FDBEHM
CCOC(=O)[C@]([O-])(CC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)(F)F	ZINC000002770547	518248480	/nfs/dbraw/zinc/24/84/80/518248480.db2.gz	AQBOFPXRVZEPLB-GFCCVEGCSA-N	-1	3	350.249	1.780	10	5		FDBEHM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](O)CN2CCCCC2)c1C	ZINC000158904082	524549167	/nfs/dbraw/zinc/54/91/67/524549167.db2.gz	LHPCWYUYGPRKPE-AWEZNQCLSA-N	-1	3	371.459	1.337	10	5		FDBEHM
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCO[C@@H](CN(C)CC(=O)[O-])C1	ZINC000263579101	537047749	/nfs/dbraw/zinc/04/77/49/537047749.db2.gz	UDISYMFNGSNZFO-HIFRSBDPSA-N	-1	3	351.403	1.681	10	5		FDBEHM
CC(=O)c1ccc(N2CCO[C@@H](CN(C)CC(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000262160148	672737877	/nfs/dbraw/zinc/73/78/77/672737877.db2.gz	SKDWMAFCMQXKNN-ZDUSSCGKSA-N	-1	3	351.359	1.019	10	5		FDBEHM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCc2cnn(C)c2)cc1C	ZINC000102661794	172353733	/nfs/dbraw/zinc/35/37/33/172353733.db2.gz	BCFDWTPUAMDQOO-UHFFFAOYSA-N	-1	3	352.416	1.856	10	5		FDBEHM
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H]2CCCn3ncnc32)c1	ZINC000180113094	258362256	/nfs/dbraw/zinc/36/22/56/258362256.db2.gz	YQMHTYQBYZNWQG-VIFPVBQESA-N	-1	3	371.806	1.962	10	5		FDBEHM
CCc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000157060486	524202969	/nfs/dbraw/zinc/20/29/69/524202969.db2.gz	KUPFHWQKAQISOS-SNVBAGLBSA-N	-1	3	351.388	1.562	10	5		FDBEHM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](O)CN2CCCCC2)cc1C	ZINC000158940879	524558877	/nfs/dbraw/zinc/55/88/77/524558877.db2.gz	ZBGIRAFRGVTVLC-AWEZNQCLSA-N	-1	3	371.459	1.337	10	5		FDBEHM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](O)CN2CCCCC2)cc1C	ZINC000158940995	524559071	/nfs/dbraw/zinc/55/90/71/524559071.db2.gz	ZBGIRAFRGVTVLC-CQSZACIVSA-N	-1	3	371.459	1.337	10	5		FDBEHM
Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C	ZINC000177004481	525220392	/nfs/dbraw/zinc/22/03/92/525220392.db2.gz	UXLJDSNNLCRUMB-CYBMUJFWSA-N	-1	3	365.415	1.925	10	5		FDBEHM
Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H](O)CN2CCCCC2)c1[N+](=O)[O-]	ZINC000189988457	537124824	/nfs/dbraw/zinc/12/48/24/537124824.db2.gz	XJLXGDNUIKSJQT-AWEZNQCLSA-N	-1	3	371.459	1.337	10	5		FDBEHM
Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCc3ncnn3C2)cc1[N+](=O)[O-]	ZINC000176707715	174084349	/nfs/dbraw/zinc/08/43/49/174084349.db2.gz	NFLQTIDARBANLD-SECBINFHSA-N	-1	3	371.806	1.441	10	5		FDBEHM
CCc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CC2	ZINC000114874809	524903893	/nfs/dbraw/zinc/90/38/93/524903893.db2.gz	VIWNJXPZOVUCLW-SNVBAGLBSA-N	-1	3	351.388	1.042	10	5		FDBEHM
CCc1ccc(C(=O)N2CCO[C@H](CN(C)CC(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000262970852	536950909	/nfs/dbraw/zinc/95/09/09/536950909.db2.gz	RSHNYYTYOZRBBB-CQSZACIVSA-N	-1	3	365.386	1.015	10	5		FDBEHM
CC(C)c1nnc2n1C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CC2	ZINC000181725953	525908024	/nfs/dbraw/zinc/90/80/24/525908024.db2.gz	MHZKLQWFBDTPRT-NSHDSACASA-N	-1	3	365.415	1.603	10	5		FDBEHM
Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-]	ZINC000190061531	537133960	/nfs/dbraw/zinc/13/39/60/537133960.db2.gz	MOTDNCRAEILSON-LBPRGKRZSA-N	-1	3	365.415	1.925	10	5		FDBEHM
CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1	ZINC000190713461	537184123	/nfs/dbraw/zinc/18/41/23/537184123.db2.gz	YQPAYRPWAGKNSR-AWEZNQCLSA-N	-1	3	371.397	1.685	10	5		FDBEHM
CNc1ncnc([N-]c2cc(C(=O)OC)cc(C(=O)OC)c2)c1[N+](=O)[O-]	ZINC000040593736	205074466	/nfs/dbraw/zinc/07/44/66/205074466.db2.gz	XQKDFHDMNUDNPA-UHFFFAOYSA-N	-1	3	361.314	1.743	10	5		FDBEHM
CC(C)(C)NN=c1nc[n-]c(N2CCN(c3ccccn3)CC2)c1[N+](=O)[O-]	ZINC000040659909	132948471	/nfs/dbraw/zinc/94/84/71/132948471.db2.gz	GAVBBDVJHSCREN-UHFFFAOYSA-N	-1	3	372.433	1.821	10	5		FDBEHM
CN1CCN(N=c2nc[n-]c(Nc3cccc([N+](=O)[O-])c3)c2[N+](=O)[O-])CC1	ZINC000040623558	205074017	/nfs/dbraw/zinc/07/40/17/205074017.db2.gz	XFUODHKYRSKGLC-UHFFFAOYSA-N	-1	3	374.361	1.611	10	5		FDBEHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCn3ncnc32)c(Cl)c1	ZINC000176749956	174086425	/nfs/dbraw/zinc/08/64/25/174086425.db2.gz	JDHKQSZLYSCSIE-SNVBAGLBSA-N	-1	3	357.779	1.653	10	5		FDBEHM
Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C	ZINC000177007015	174100240	/nfs/dbraw/zinc/10/02/40/174100240.db2.gz	HSOSTVZJDZGPKB-NSHDSACASA-N	-1	3	351.388	1.617	10	5		FDBEHM
Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C	ZINC000177004498	525219370	/nfs/dbraw/zinc/21/93/70/525219370.db2.gz	UXLJDSNNLCRUMB-ZDUSSCGKSA-N	-1	3	365.415	1.925	10	5		FDBEHM
O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000183260507	535952005	/nfs/dbraw/zinc/95/20/05/535952005.db2.gz	QCJNSUQMDDXBID-INIZCTEOSA-N	-1	3	371.393	1.449	10	5		FDBEHM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCCn3ncnc32)c1C	ZINC000121360801	524234553	/nfs/dbraw/zinc/23/45/53/524234553.db2.gz	IJLUXCJLGQRRHS-NSHDSACASA-N	-1	3	351.388	1.617	10	5		FDBEHM
Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000177003802	525220264	/nfs/dbraw/zinc/22/02/64/525220264.db2.gz	VNJWOCCMHYAHMG-GFCCVEGCSA-N	-1	3	351.388	1.617	10	5		FDBEHM
CCN1CCC[C@@H]([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)C1	ZINC000186617339	536238758	/nfs/dbraw/zinc/23/87/58/536238758.db2.gz	QEZNKFSBZOXZJZ-SNVBAGLBSA-N	-1	3	361.395	1.505	10	5		FDBEHM
CC(C)C(=O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000133631463	671822694	/nfs/dbraw/zinc/82/26/94/671822694.db2.gz	FFMTVWAWIHKJLE-UHFFFAOYSA-N	-1	3	365.205	1.861	10	5		FDBEHM
CC(C)(C)OC(=O)N1C[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])[C@H](O)C1	ZINC000702840877	884261594	/nfs/dbraw/zinc/26/15/94/884261594.db2.gz	SBMDDCBECBGQIX-MWLCHTKSSA-N	-1	3	354.363	1.335	10	5		FDBEHM
CN1CCN(N=c2nc[n-]c(N3CCc4ccccc43)c2[N+](=O)[O-])CC1	ZINC000040586116	205073751	/nfs/dbraw/zinc/07/37/51/205073751.db2.gz	NISMVVCGQMHJDU-UHFFFAOYSA-N	-1	3	355.402	1.653	10	5		FDBEHM
CCc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000157064924	524202621	/nfs/dbraw/zinc/20/26/21/524202621.db2.gz	CMOGZFQBJFKXSK-MRVPVSSYSA-N	-1	3	357.417	1.624	10	5		FDBEHM
CCc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000157087047	524206118	/nfs/dbraw/zinc/20/61/18/524206118.db2.gz	NXHGKEXVKYUULR-LLVKDONJSA-N	-1	3	369.378	1.701	10	5		FDBEHM
C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1nnc2n1CCCC2	ZINC000121753659	524352772	/nfs/dbraw/zinc/35/27/72/524352772.db2.gz	OCUGJQKCSHBWPT-SECBINFHSA-N	-1	3	369.378	1.701	10	5		FDBEHM
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCc2ncnn2C1	ZINC000113299167	524666802	/nfs/dbraw/zinc/66/68/02/524666802.db2.gz	YTTQFBADDCDQRJ-SECBINFHSA-N	-1	3	357.779	1.133	10	5		FDBEHM
CN1CCN(Nc2ncnc([N-]c3cccnc3Cl)c2[N+](=O)[O-])CC1	ZINC000040623862	208258813	/nfs/dbraw/zinc/25/88/13/208258813.db2.gz	KOJZATLYEIVDHL-UHFFFAOYSA-N	-1	3	364.797	1.751	10	5		FDBEHM
COc1ccc(S(=O)(=O)[N-][C@H]2CN(C(C)C)C[C@H]2C)c([N+](=O)[O-])c1	ZINC000174003292	258316949	/nfs/dbraw/zinc/31/69/49/258316949.db2.gz	RIIVHOBGWHOLHY-YPMHNXCESA-N	-1	3	357.432	1.610	10	5		FDBEHM
C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1nnc2n1CCCC2	ZINC000121772961	524358216	/nfs/dbraw/zinc/35/82/16/524358216.db2.gz	ZUZXABKYFBLVCH-MRVPVSSYSA-N	-1	3	357.417	1.624	10	5		FDBEHM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](O)CN2CCCCC2)c1C	ZINC000158904221	524549408	/nfs/dbraw/zinc/54/94/08/524549408.db2.gz	LHPCWYUYGPRKPE-CQSZACIVSA-N	-1	3	371.459	1.337	10	5		FDBEHM
CCc1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CC2	ZINC000114874811	524902855	/nfs/dbraw/zinc/90/28/55/524902855.db2.gz	VIWNJXPZOVUCLW-JTQLQIEISA-N	-1	3	351.388	1.042	10	5		FDBEHM
O=c1c2ccccc2ccn1CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000115633171	525036216	/nfs/dbraw/zinc/03/62/16/525036216.db2.gz	FSCYTMSPNUVPKR-UHFFFAOYSA-N	-1	3	373.390	1.888	10	5		FDBEHM
CCc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000185939150	536222270	/nfs/dbraw/zinc/22/22/70/536222270.db2.gz	ZWQLRMUIDGYDNG-GFCCVEGCSA-N	-1	3	351.388	1.562	10	5		FDBEHM
CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1	ZINC000702840879	884262348	/nfs/dbraw/zinc/26/23/48/884262348.db2.gz	SBMDDCBECBGQIX-ONGXEEELSA-N	-1	3	354.363	1.335	10	5		FDBEHM
Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-]	ZINC000177001261	525217545	/nfs/dbraw/zinc/21/75/45/525217545.db2.gz	PPZWLJCABFDVFE-NSHDSACASA-N	-1	3	351.388	1.617	10	5		FDBEHM
C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1nnc2n1CCCC2	ZINC000121753509	524352744	/nfs/dbraw/zinc/35/27/44/524352744.db2.gz	OCUGJQKCSHBWPT-VIFPVBQESA-N	-1	3	369.378	1.701	10	5		FDBEHM
CN(CC(=O)[O-])C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1	ZINC000263005896	536959107	/nfs/dbraw/zinc/95/91/07/536959107.db2.gz	XVMYNYSSHFJHIV-LLVKDONJSA-N	-1	3	371.777	1.106	10	5		FDBEHM
CCc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000185939134	177720127	/nfs/dbraw/zinc/72/01/27/177720127.db2.gz	ZWQLRMUIDGYDNG-LBPRGKRZSA-N	-1	3	351.388	1.562	10	5		FDBEHM
CN(CC(=O)[O-])C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1	ZINC000263000573	536958050	/nfs/dbraw/zinc/95/80/50/536958050.db2.gz	WZKXDNQRFCAKCY-NSHDSACASA-N	-1	3	371.777	1.106	10	5		FDBEHM
Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@H]2CN(C)CCO2)cc1[N+](=O)[O-]	ZINC000176684871	174082780	/nfs/dbraw/zinc/08/27/80/174082780.db2.gz	TXYZSFZMLFHXAV-JTQLQIEISA-N	-1	3	363.823	1.166	10	5		FDBEHM
Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1	ZINC000180106468	258362014	/nfs/dbraw/zinc/36/20/14/258362014.db2.gz	AYTSJWHQQLAUCY-NSHDSACASA-N	-1	3	369.378	1.756	10	5		FDBEHM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCc3ncnn3C2)c1C	ZINC000120588779	526118602	/nfs/dbraw/zinc/11/86/02/526118602.db2.gz	XCVKCBZWDFFTKN-NSHDSACASA-N	-1	3	351.388	1.096	10	5		FDBEHM
CC(=O)c1cc(N2CCO[C@@H](CN(C)CC(=O)[O-])C2)ccc1[N+](=O)[O-]	ZINC000262166972	672739521	/nfs/dbraw/zinc/73/95/21/672739521.db2.gz	UMAJRDZGMIRXOB-ZDUSSCGKSA-N	-1	3	351.359	1.019	10	5		FDBEHM
Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCO[C@H](CN(C)CC(=O)[O-])C1	ZINC000263579100	537047874	/nfs/dbraw/zinc/04/78/74/537047874.db2.gz	UDISYMFNGSNZFO-DZGCQCFKSA-N	-1	3	351.403	1.681	10	5		FDBEHM
Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H](O)CN2CCCCC2)c1[N+](=O)[O-]	ZINC000189988476	537124524	/nfs/dbraw/zinc/12/45/24/537124524.db2.gz	XJLXGDNUIKSJQT-CQSZACIVSA-N	-1	3	371.459	1.337	10	5		FDBEHM
CCc1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CC2	ZINC000114874858	524903860	/nfs/dbraw/zinc/90/38/60/524903860.db2.gz	FMYLXRIMDDNCQG-VIFPVBQESA-N	-1	3	369.378	1.181	10	5		FDBEHM
COc1ccc(S(=O)(=O)[N-][C@H]2CN(C(C)C)C[C@@H]2C)c([N+](=O)[O-])c1	ZINC000174003304	258316861	/nfs/dbraw/zinc/31/68/61/258316861.db2.gz	RIIVHOBGWHOLHY-AAEUAGOBSA-N	-1	3	357.432	1.610	10	5		FDBEHM
CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CCN(CCn2cccn2)CC1	ZINC000181998095	526013863	/nfs/dbraw/zinc/01/38/63/526013863.db2.gz	NUQOXVZJEYSZRE-UHFFFAOYSA-N	-1	3	373.413	1.734	10	5		FDBEHM
Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCCn3ncnc32)c1[N+](=O)[O-]	ZINC000190062299	537134243	/nfs/dbraw/zinc/13/42/43/537134243.db2.gz	KUZLTYHHHYYMPA-LLVKDONJSA-N	-1	3	351.388	1.617	10	5		FDBEHM
O=C([O-])c1cnc(NC[C@@]2(O)CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1	ZINC000702576937	977093361	/nfs/dbraw/zinc/09/33/61/977093361.db2.gz	SOPHGXIXURMVOQ-SFHVURJKSA-N	-1	3	372.381	1.737	10	5		FDBEHM
O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@]2(O)CCN(Cc3ccccc3)C2)n1	ZINC000702575984	977093490	/nfs/dbraw/zinc/09/34/90/977093490.db2.gz	AUCWGZARTYZPFE-SFHVURJKSA-N	-1	3	372.381	1.737	10	5		FDBEHM
Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000177005938	174100221	/nfs/dbraw/zinc/10/02/21/174100221.db2.gz	KRUGFUCHNCLKQY-NSHDSACASA-N	-1	3	371.806	1.962	10	5		FDBEHM
CCc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000157093447	524208025	/nfs/dbraw/zinc/20/80/25/524208025.db2.gz	FTBMPPMPTRYGSP-GFCCVEGCSA-N	-1	3	365.415	1.871	10	5		FDBEHM
CC(C)c1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CC2	ZINC000159357238	524651558	/nfs/dbraw/zinc/65/15/58/524651558.db2.gz	SLOSAEXANKPPOO-LLVKDONJSA-N	-1	3	365.415	1.603	10	5		FDBEHM
CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CCN(CCn2cccn2)CC1	ZINC000186270335	536230668	/nfs/dbraw/zinc/23/06/68/536230668.db2.gz	REKSCQCYKWMRMF-UHFFFAOYSA-N	-1	3	373.413	1.734	10	5		FDBEHM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCCn3ncnc32)cc1C	ZINC000176748592	174086610	/nfs/dbraw/zinc/08/66/10/174086610.db2.gz	XDCVQMZNALHJMT-NSHDSACASA-N	-1	3	351.388	1.617	10	5		FDBEHM
Cn1cc(CCC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1	ZINC000102662130	525301417	/nfs/dbraw/zinc/30/14/17/525301417.db2.gz	JYPDZUXMTWLILK-UHFFFAOYSA-N	-1	3	358.807	1.893	10	5		FDBEHM
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2CCc3ncnn3C2)c1	ZINC000183662338	536025376	/nfs/dbraw/zinc/02/53/76/536025376.db2.gz	CLKHWGFKFSGJCO-SECBINFHSA-N	-1	3	371.806	1.441	10	5		FDBEHM
CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1	ZINC000702840872	884261139	/nfs/dbraw/zinc/26/11/39/884261139.db2.gz	SBMDDCBECBGQIX-GXSJLCMTSA-N	-1	3	354.363	1.335	10	5		FDBEHM
Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCc3ncnn3C2)c1[N+](=O)[O-]	ZINC000189968216	537122334	/nfs/dbraw/zinc/12/23/34/537122334.db2.gz	PWVATNSTNDANCN-LLVKDONJSA-N	-1	3	351.388	1.096	10	5		FDBEHM
CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1	ZINC000190713484	537183945	/nfs/dbraw/zinc/18/39/45/537183945.db2.gz	YQPAYRPWAGKNSR-CQSZACIVSA-N	-1	3	371.397	1.685	10	5		FDBEHM
Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000177003818	525219905	/nfs/dbraw/zinc/21/99/05/525219905.db2.gz	VNJWOCCMHYAHMG-LBPRGKRZSA-N	-1	3	351.388	1.617	10	5		FDBEHM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCCc1cnn(C)c1	ZINC000102661928	172353596	/nfs/dbraw/zinc/35/35/96/172353596.db2.gz	UQIDUCSDYJQHCU-UHFFFAOYSA-N	-1	3	354.388	1.248	10	5		FDBEHM
Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1	ZINC000180106449	258362078	/nfs/dbraw/zinc/36/20/78/258362078.db2.gz	AYTSJWHQQLAUCY-LLVKDONJSA-N	-1	3	369.378	1.756	10	5		FDBEHM
CN(CC(=O)[O-])C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1	ZINC000262867984	536925372	/nfs/dbraw/zinc/92/53/72/536925372.db2.gz	LZPNFQRREKRIED-CYBMUJFWSA-N	-1	3	357.794	1.465	10	5		FDBEHM
CCc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C	ZINC000157073667	524205032	/nfs/dbraw/zinc/20/50/32/524205032.db2.gz	HQABGHJEAPCBHN-LLVKDONJSA-N	-1	3	365.415	1.871	10	5		FDBEHM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCCn3ncnc32)c1C	ZINC000121360658	524235029	/nfs/dbraw/zinc/23/50/29/524235029.db2.gz	IJLUXCJLGQRRHS-LLVKDONJSA-N	-1	3	351.388	1.617	10	5		FDBEHM
CCc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-]	ZINC000157085996	524206577	/nfs/dbraw/zinc/20/65/77/524206577.db2.gz	OLJBZAXNEGBYHL-LLVKDONJSA-N	-1	3	365.415	1.871	10	5		FDBEHM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](O)CN1CCCCC1	ZINC000158959583	524561400	/nfs/dbraw/zinc/56/14/00/524561400.db2.gz	MEVSJHHKLHALEF-ZDUSSCGKSA-N	-1	3	357.432	1.028	10	5		FDBEHM
CN(CC(=O)[O-])C[C@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1	ZINC000262867985	536924927	/nfs/dbraw/zinc/92/49/27/536924927.db2.gz	LZPNFQRREKRIED-ZDUSSCGKSA-N	-1	3	357.794	1.465	10	5		FDBEHM
CC(=O)c1ccc(N2CCO[C@H](CN(C)CC(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000262160145	672737840	/nfs/dbraw/zinc/73/78/40/672737840.db2.gz	SKDWMAFCMQXKNN-CYBMUJFWSA-N	-1	3	351.359	1.019	10	5		FDBEHM
CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1	ZINC000702840875	884261395	/nfs/dbraw/zinc/26/13/95/884261395.db2.gz	SBMDDCBECBGQIX-KOLCDFICSA-N	-1	3	354.363	1.335	10	5		FDBEHM
CCc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000157060331	524202671	/nfs/dbraw/zinc/20/26/71/524202671.db2.gz	KUPFHWQKAQISOS-JTQLQIEISA-N	-1	3	351.388	1.562	10	5		FDBEHM
CC(C)C(=O)C[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000133654029	173270450	/nfs/dbraw/zinc/27/04/50/173270450.db2.gz	KZAFWFVFYBJBEO-UHFFFAOYSA-N	-1	3	365.205	1.861	10	5		FDBEHM
Cc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCc3ncnn3C2)cc1[N+](=O)[O-]	ZINC000176707729	174084272	/nfs/dbraw/zinc/08/42/72/174084272.db2.gz	NFLQTIDARBANLD-VIFPVBQESA-N	-1	3	371.806	1.441	10	5		FDBEHM
Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCO[C@@H](CN(C)CC(=O)[O-])C1	ZINC000263579103	537047579	/nfs/dbraw/zinc/04/75/79/537047579.db2.gz	UDISYMFNGSNZFO-ZFWWWQNUSA-N	-1	3	351.403	1.681	10	5		FDBEHM
Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-]	ZINC000190061520	537133994	/nfs/dbraw/zinc/13/39/94/537133994.db2.gz	MOTDNCRAEILSON-GFCCVEGCSA-N	-1	3	365.415	1.925	10	5		FDBEHM
CN(CC(=O)[O-])C[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1	ZINC000263005897	178844278	/nfs/dbraw/zinc/84/42/78/178844278.db2.gz	XVMYNYSSHFJHIV-NSHDSACASA-N	-1	3	371.777	1.106	10	5		FDBEHM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCCn3ncnc32)cc1C	ZINC000176748576	174086784	/nfs/dbraw/zinc/08/67/84/174086784.db2.gz	XDCVQMZNALHJMT-LLVKDONJSA-N	-1	3	351.388	1.617	10	5		FDBEHM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)c1nnc2n1CCCC2	ZINC000121734839	524345868	/nfs/dbraw/zinc/34/58/68/524345868.db2.gz	NQEJEASLTJFQLA-NSHDSACASA-N	-1	3	365.415	1.871	10	5		FDBEHM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)c1nnc2n1CCCC2	ZINC000121735018	524346357	/nfs/dbraw/zinc/34/63/57/524346357.db2.gz	NQEJEASLTJFQLA-LLVKDONJSA-N	-1	3	365.415	1.871	10	5		FDBEHM
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H]2CCc3ncnn3C2)c1	ZINC000183662352	536024902	/nfs/dbraw/zinc/02/49/02/536024902.db2.gz	CLKHWGFKFSGJCO-VIFPVBQESA-N	-1	3	371.806	1.441	10	5		FDBEHM
Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C	ZINC000192015671	178084489	/nfs/dbraw/zinc/08/44/89/178084489.db2.gz	CIDDBHAZKOKWPY-LBPRGKRZSA-N	-1	3	365.415	1.925	10	5		FDBEHM
CCc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000157081605	524206668	/nfs/dbraw/zinc/20/66/68/524206668.db2.gz	WNMJMBAFDDGXFI-GFCCVEGCSA-N	-1	3	365.415	1.871	10	5		FDBEHM
CCc1ccc(C(=O)N2CCO[C@@H](CN(C)CC(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000262969785	536951296	/nfs/dbraw/zinc/95/12/96/536951296.db2.gz	RSHNYYTYOZRBBB-AWEZNQCLSA-N	-1	3	365.386	1.015	10	5		FDBEHM
COc1cc(CN[C@@H]2CCCN(c3cccnn3)C2)c([N+](=O)[O-])cc1[O-]	ZINC000109070787	526070321	/nfs/dbraw/zinc/07/03/21/526070321.db2.gz	YVHDFTOMMWOCAL-CYBMUJFWSA-N	-1	3	359.386	1.858	10	5		FDBEHM