smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)([NH3+])C[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1	ZINC000225479295	352006162	/nfs/dbraw/zinc/00/61/62/352006162.db2.gz	RZOZBWYFJQJMAE-UHFFFAOYSA-N	0	3	291.304	0.750	50	5		CCBAHN
Cn1cc([N+](=O)[O-])c(C(=O)N2CCN3CCC[C@H]3C2)n1	ZINC000000375876	347945709	/nfs/dbraw/zinc/94/57/09/347945709.db2.gz	SUUSJJYAZWOCJT-VIFPVBQESA-N	0	3	279.300	0.249	50	5		CCBAHN
CCn1cc([N+](=O)[O-])c(C(=O)NCCN(C)C)n1	ZINC000012413836	388783597	/nfs/dbraw/zinc/78/35/97/388783597.db2.gz	FOFYKNGYDPMDMZ-UHFFFAOYSA-N	0	3	255.278	0.103	50	5		CCBAHN
C[C@@H]1C[NH2+]CC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000262756029	297109725	/nfs/dbraw/zinc/10/97/25/297109725.db2.gz	HYIWLTKMUADBMC-NXEZZACHSA-N	0	3	299.352	0.871	50	5		CCBAHN
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1[C@H]2C[NH2+]C[C@H]21	ZINC000252412266	352513516	/nfs/dbraw/zinc/51/35/16/352513516.db2.gz	NUIQUJGJDLOOGT-VROVMSAKSA-N	0	3	283.309	0.091	50	5		CCBAHN
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCCNC2)cc1	ZINC000071397275	285138668	/nfs/dbraw/zinc/13/86/68/285138668.db2.gz	JGKUMQQVIGHHCP-VIFPVBQESA-N	0	3	285.325	0.625	50	5		CCBAHN
O=[N+]([O-])c1cnccc1N1C[C@@H](O)[C@@H](N2CCCC2)C1	ZINC000071922360	176300831	/nfs/dbraw/zinc/30/08/31/176300831.db2.gz	MJJZMGCKJVDONT-QWHCGFSZSA-N	0	3	278.312	0.635	50	5		CCBAHN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN(C)C	ZINC000010327862	388768035	/nfs/dbraw/zinc/76/80/35/388768035.db2.gz	LHXUQJQXUHMSEM-UHFFFAOYSA-N	0	3	294.311	0.520	50	5		CCBAHN
CN(C)CC(C)(C)NC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000408520822	389373163	/nfs/dbraw/zinc/37/31/63/389373163.db2.gz	YZJNKACOWGEUAK-UHFFFAOYSA-N	0	3	269.305	0.248	50	5		CCBAHN
NC(=O)c1ccccc1NC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000006414116	170199479	/nfs/dbraw/zinc/19/94/79/170199479.db2.gz	YKOYHJYZKXQJPM-UHFFFAOYSA-N	0	3	275.224	0.669	50	5		CCBAHN
CN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C	ZINC000120325852	349980480	/nfs/dbraw/zinc/98/04/80/349980480.db2.gz	ZUDZIRZCXLGWEQ-UHFFFAOYSA-N	0	3	280.328	0.952	50	5		CCBAHN
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H]1CCC[NH2+]1	ZINC000053254439	348524037	/nfs/dbraw/zinc/52/40/37/348524037.db2.gz	KXQKWDLWJHHDOM-VIFPVBQESA-N	0	3	285.325	0.625	50	5		CCBAHN
CCS(=O)(=O)c1ccc(N2CCNCC2)c([N+](=O)[O-])c1	ZINC000015443631	280031347	/nfs/dbraw/zinc/03/13/47/280031347.db2.gz	HVFQLLOLGPDWPX-UHFFFAOYSA-N	0	3	299.352	0.798	50	5		CCBAHN
CCN1CCC[C@H]1CNc1ncnc(N)c1[N+](=O)[O-]	ZINC000003912725	347987710	/nfs/dbraw/zinc/98/77/10/347987710.db2.gz	XESXXENZNNWCNV-QMMMGPOBSA-N	0	3	266.305	0.863	50	5		CCBAHN
Cn1cc([N+](=O)[O-])c(C(=O)N2CCN3CCC[C@@H]3C2)n1	ZINC000000375877	347945951	/nfs/dbraw/zinc/94/59/51/347945951.db2.gz	SUUSJJYAZWOCJT-SECBINFHSA-N	0	3	279.300	0.249	50	5		CCBAHN
CC1CCN(CCNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1	ZINC000048303795	388888800	/nfs/dbraw/zinc/88/88/00/388888800.db2.gz	JJCGLOTZYFKTJV-UHFFFAOYSA-N	0	3	295.343	0.639	50	5		CCBAHN
CCn1nccc1CNC(=O)c1[nH]ncc1[N+](=O)[O-]	ZINC000006412726	170199444	/nfs/dbraw/zinc/19/94/44/170199444.db2.gz	MCINKLWMVOSANQ-UHFFFAOYSA-N	0	3	264.245	0.464	50	5		CCBAHN
CCn1nccc1CNC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000006412726	170199445	/nfs/dbraw/zinc/19/94/45/170199445.db2.gz	MCINKLWMVOSANQ-UHFFFAOYSA-N	0	3	264.245	0.464	50	5		CCBAHN
O=[N+]([O-])c1ccc(NCCNCCO)c([N+](=O)[O-])c1	ZINC000004045571	347988389	/nfs/dbraw/zinc/98/83/89/347988389.db2.gz	ARLKHAFSLBKHMB-UHFFFAOYSA-N	0	3	270.245	0.497	50	5		CCBAHN
NC(=O)c1ccc(N2CCNCC2)c([N+](=O)[O-])c1	ZINC000004755346	295182180	/nfs/dbraw/zinc/18/21/80/295182180.db2.gz	RBCKMJVVNSKJSK-UHFFFAOYSA-N	0	3	250.258	0.103	50	5		CCBAHN
Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN2CCC[C@H]2C1	ZINC000002767558	347971693	/nfs/dbraw/zinc/97/16/93/347971693.db2.gz	JSGCLEOWYMHNLJ-VIFPVBQESA-N	0	3	279.300	0.249	50	5		CCBAHN
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H](O)CN1	ZINC000035231996	172071478	/nfs/dbraw/zinc/07/14/78/172071478.db2.gz	IZEBIZBBOZJDHO-ZJUUUORDSA-N	0	3	251.242	0.256	50	5		CCBAHN
CS(=O)(=O)c1cc(N2CCNCC2)ccc1[N+](=O)[O-]	ZINC000042684439	348288655	/nfs/dbraw/zinc/28/86/55/348288655.db2.gz	FHEOTKKERXQVSW-UHFFFAOYSA-N	0	3	285.325	0.408	50	5		CCBAHN
CCN1CCC[C@@H]1CNc1ncnc(N)c1[N+](=O)[O-]	ZINC000003912724	347987086	/nfs/dbraw/zinc/98/70/86/347987086.db2.gz	XESXXENZNNWCNV-MRVPVSSYSA-N	0	3	266.305	0.863	50	5		CCBAHN
O=[N+]([O-])c1ccc(N2CCNCC2)cc1NCCO	ZINC000004046656	347989239	/nfs/dbraw/zinc/98/92/39/347989239.db2.gz	UXSLLBHVLVVURZ-UHFFFAOYSA-N	0	3	266.301	0.409	50	5		CCBAHN
CNCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000070303914	348883709	/nfs/dbraw/zinc/88/37/09/348883709.db2.gz	BONLDXOCBXOPDD-UHFFFAOYSA-N	0	3	273.314	0.435	50	5		CCBAHN
O=[N+]([O-])c1cnccc1N1C[C@@H](N2CCCC2)[C@@H](O)C1	ZINC000241368024	285188560	/nfs/dbraw/zinc/18/85/60/285188560.db2.gz	MJJZMGCKJVDONT-OLZOCXBDSA-N	0	3	278.312	0.635	50	5		CCBAHN
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CCN1	ZINC000015443153	388788933	/nfs/dbraw/zinc/78/89/33/388788933.db2.gz	FSLXLICOGROISX-VIFPVBQESA-N	0	3	299.352	0.796	50	5		CCBAHN
C[C@H]1CCCCN1CCNC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000046857460	388876830	/nfs/dbraw/zinc/87/68/30/388876830.db2.gz	SFGPUTPPDYICTC-NSHDSACASA-N	0	3	295.343	0.782	50	5		CCBAHN
O=[N+]([O-])c1ccc(N2CCNCC2)c([N+](=O)[O-])c1	ZINC000008418168	275036633	/nfs/dbraw/zinc/03/66/33/275036633.db2.gz	NHIZXWJIYCQIRS-UHFFFAOYSA-N	0	3	252.230	0.913	50	5		CCBAHN
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[NH3+])c1C	ZINC000195544464	281015920	/nfs/dbraw/zinc/01/59/20/281015920.db2.gz	WDUOIXQWRBLJAQ-UHFFFAOYSA-N	0	3	273.314	0.449	50	5		CCBAHN
CCN1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000424054483	527847338	/nfs/dbraw/zinc/84/73/38/527847338.db2.gz	ACMQUASLFJICQH-VIFPVBQESA-N	0	3	267.289	0.002	50	5		CCBAHN
CC(C)N1CCC(NC(=O)c2nn(C)cc2[N+](=O)[O-])CC1	ZINC000002782082	347972827	/nfs/dbraw/zinc/97/28/27/347972827.db2.gz	GSRDEYKJSBNKJC-UHFFFAOYSA-N	0	3	295.343	0.931	50	5		CCBAHN
C[C@@H](C[NH3+])C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000447241611	278245405	/nfs/dbraw/zinc/24/54/05/278245405.db2.gz	BHLLQOUAQSYWCY-QMMMGPOBSA-N	0	3	273.314	0.468	50	5		CCBAHN
C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)CN1C	ZINC000095454188	349612928	/nfs/dbraw/zinc/61/29/28/349612928.db2.gz	NNXMTZCRMBVIHR-MDZLAQPJSA-N	0	3	297.359	0.177	50	5		CCBAHN
O=[N+]([O-])c1nccn1C[C@@H](O)CN1CCCCC1	ZINC000001571940	347957267	/nfs/dbraw/zinc/95/72/67/347957267.db2.gz	WVWOOAYQYLJEFD-JTQLQIEISA-N	0	3	254.290	0.638	50	5	investigational	CCBAHN
CC(C)[C@@H]([NH3+])C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000070447333	348889707	/nfs/dbraw/zinc/88/97/07/348889707.db2.gz	VXNPGLVGTCRCJN-VIFPVBQESA-N	0	3	287.341	0.856	50	5		CCBAHN
Cc1ccnc(N2CCN[C@H](CO)C2)c1[N+](=O)[O-]	ZINC000952993424	649614235	/nfs/dbraw/zinc/61/42/35/649614235.db2.gz	HBSNOHWZSKMEDY-VIFPVBQESA-N	0	3	252.274	0.069	50	5		CCBAHN
C[C@H]1C[NH2+]CC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000262756031	300324938	/nfs/dbraw/zinc/32/49/38/300324938.db2.gz	HYIWLTKMUADBMC-UWVGGRQHSA-N	0	3	299.352	0.871	50	5		CCBAHN
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CC[NH2+]C1	ZINC000052093318	348504234	/nfs/dbraw/zinc/50/42/34/348504234.db2.gz	XTRZZBUDMXMVCC-QMMMGPOBSA-N	0	3	271.298	0.235	50	5		CCBAHN
CN1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1	ZINC000005930081	388764126	/nfs/dbraw/zinc/76/41/26/388764126.db2.gz	LFKHWJQLORRDOM-UHFFFAOYSA-N	0	3	278.312	0.836	50	5		CCBAHN
NC(=O)C1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000000119242	347940094	/nfs/dbraw/zinc/94/00/94/347940094.db2.gz	QLKCZTUNPZZKJD-ZDUSSCGKSA-N	0	3	293.323	0.826	50	5		CCBAHN
C[C@@H]1CCCCN1CCNC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000046857458	296311860	/nfs/dbraw/zinc/31/18/60/296311860.db2.gz	SFGPUTPPDYICTC-LLVKDONJSA-N	0	3	295.343	0.782	50	5		CCBAHN
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCNC2)cc1	ZINC000071397274	285138764	/nfs/dbraw/zinc/13/87/64/285138764.db2.gz	JGKUMQQVIGHHCP-SECBINFHSA-N	0	3	285.325	0.625	50	5		CCBAHN
C[C@H](C[NH3+])C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000447241610	389948530	/nfs/dbraw/zinc/94/85/30/389948530.db2.gz	BHLLQOUAQSYWCY-MRVPVSSYSA-N	0	3	273.314	0.468	50	5		CCBAHN
NC(=O)C1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000000119240	347939601	/nfs/dbraw/zinc/93/96/01/347939601.db2.gz	QLKCZTUNPZZKJD-CYBMUJFWSA-N	0	3	293.323	0.826	50	5		CCBAHN
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CC[NH2+]C1	ZINC000052093317	348504249	/nfs/dbraw/zinc/50/42/49/348504249.db2.gz	XTRZZBUDMXMVCC-MRVPVSSYSA-N	0	3	271.298	0.235	50	5		CCBAHN
O=[N+]([O-])c1cc(C2=NCCN2)cc(C2=NCCN2)c1	ZINC000004015698	275033201	/nfs/dbraw/zinc/03/32/01/275033201.db2.gz	MTZPNEUCJNZQBQ-UHFFFAOYSA-N	0	3	259.269	0.294	50	5		CCBAHN
Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN2CCC[C@@H]2C1	ZINC000002767559	347971449	/nfs/dbraw/zinc/97/14/49/347971449.db2.gz	JSGCLEOWYMHNLJ-SECBINFHSA-N	0	3	279.300	0.249	50	5		CCBAHN
O=C(CCn1cc([N+](=O)[O-])cn1)N1CCN2CCC[C@@H]2C1	ZINC000002770902	347972177	/nfs/dbraw/zinc/97/21/77/347972177.db2.gz	VHEKAJLLKYVFBE-LLVKDONJSA-N	0	3	293.327	0.488	50	5		CCBAHN
Cc1nn(C)c(C(=O)NC2CCN(C)CC2)c1[N+](=O)[O-]	ZINC000002781124	347972788	/nfs/dbraw/zinc/97/27/88/347972788.db2.gz	MKSHSYCQKFXLCA-UHFFFAOYSA-N	0	3	281.316	0.461	50	5		CCBAHN
[NH3+]CCCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000002529179	347969068	/nfs/dbraw/zinc/96/90/68/347969068.db2.gz	NEIRGPMZEKSCSV-UHFFFAOYSA-N	0	3	273.314	0.612	50	5		CCBAHN
C[C@@H]([NH3+])CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000063170859	348679983	/nfs/dbraw/zinc/67/99/83/348679983.db2.gz	CIQHROBISPXPJJ-MRVPVSSYSA-N	0	3	273.314	0.610	50	5		CCBAHN
CCN1CCN([C@H](C)CNc2c([N+](=O)[O-])ncn2C)CC1	ZINC000048325718	411654674	/nfs/dbraw/zinc/65/46/74/411654674.db2.gz	ZECHXOUVMCIHBF-LLVKDONJSA-N	0	3	296.375	0.766	50	5		CCBAHN
O=[N+]([O-])c1cnccc1N1C[C@@H](O)[C@H](N2CCCC2)C1	ZINC000071922361	176300801	/nfs/dbraw/zinc/30/08/01/176300801.db2.gz	MJJZMGCKJVDONT-CHWSQXEVSA-N	0	3	278.312	0.635	50	5		CCBAHN
CC(C)[C@H]([NH3+])C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000070447332	348889473	/nfs/dbraw/zinc/88/94/73/348889473.db2.gz	VXNPGLVGTCRCJN-SECBINFHSA-N	0	3	287.341	0.856	50	5		CCBAHN
O=[N+]([O-])c1cnccc1N1C[C@H](O)[C@@H](N2CCCC2)C1	ZINC000106857155	186141999	/nfs/dbraw/zinc/14/19/99/186141999.db2.gz	MJJZMGCKJVDONT-STQMWFEESA-N	0	3	278.312	0.635	50	5		CCBAHN
CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCNCC1	ZINC000015443681	274173609	/nfs/dbraw/zinc/17/36/09/274173609.db2.gz	AQMYFSROMSEUNO-UHFFFAOYSA-N	0	3	285.325	0.408	50	5		CCBAHN
CN(C)CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-]	ZINC000004656441	136394253	/nfs/dbraw/zinc/39/42/53/136394253.db2.gz	SMTSSJNYIWKDTK-UHFFFAOYSA-N	0	3	296.331	0.195	50	5		CCBAHN
CNCCN(C)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000070303967	348883548	/nfs/dbraw/zinc/88/35/48/348883548.db2.gz	DZCSDUJAHXSSOU-UHFFFAOYSA-N	0	3	273.314	0.435	50	5		CCBAHN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCNCC2)cc1	ZINC000022213697	171374839	/nfs/dbraw/zinc/37/48/39/171374839.db2.gz	ZEDYMVLKZQVSKM-UHFFFAOYSA-N	0	3	285.325	0.579	50	5		CCBAHN
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H]1CCC[NH2+]C1	ZINC000044502178	175186216	/nfs/dbraw/zinc/18/62/16/175186216.db2.gz	XWJMRMYNWBOPJT-SNVBAGLBSA-N	0	3	299.352	0.873	50	5		CCBAHN
C[C@H]1CN(c2ccc([N+](=O)[O-])c(NCCO)c2)CCN1	ZINC000004046677	347989467	/nfs/dbraw/zinc/98/94/67/347989467.db2.gz	LWKATNRNJGJLAS-JTQLQIEISA-N	0	3	280.328	0.797	50	5		CCBAHN
[NH3+]C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1	ZINC000087384086	389010277	/nfs/dbraw/zinc/01/02/77/389010277.db2.gz	ARDXHZHZFAIFSG-SECBINFHSA-N	0	3	285.325	0.610	50	5		CCBAHN
O=[N+]([O-])c1ccc(N2CCNCC2)cc1N1CCOCC1	ZINC000004561403	275036686	/nfs/dbraw/zinc/03/66/86/275036686.db2.gz	DPJQYITZDFYLGA-UHFFFAOYSA-N	0	3	292.339	0.841	50	5		CCBAHN
CN(C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000005251507	170079937	/nfs/dbraw/zinc/07/99/37/170079937.db2.gz	DFPFROQCRNKMRN-UHFFFAOYSA-N	0	3	280.284	0.211	50	5		CCBAHN
CN(CCN(C)C1CC1)C(=O)c1ccnc(N)c1[N+](=O)[O-]	ZINC000408517252	411809994	/nfs/dbraw/zinc/80/99/94/411809994.db2.gz	DTZNOPGDCXUNGR-UHFFFAOYSA-N	0	3	293.327	0.738	50	5		CCBAHN
O=[N+]([O-])c1c2cccnc2ccc1N1CCN[C@@H](CO)C1	ZINC000952994466	649615333	/nfs/dbraw/zinc/61/53/33/649615333.db2.gz	PPRDOUHZSGRKJP-SNVBAGLBSA-N	0	3	288.307	0.914	50	5		CCBAHN
C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)CN1C	ZINC000095454187	349612839	/nfs/dbraw/zinc/61/28/39/349612839.db2.gz	NNXMTZCRMBVIHR-WZRBSPASSA-N	0	3	297.359	0.177	50	5		CCBAHN
NC(=O)c1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1	ZINC000006413971	170199626	/nfs/dbraw/zinc/19/96/26/170199626.db2.gz	KLZSZKKALVEYGQ-UHFFFAOYSA-N	0	3	275.224	0.669	50	5		CCBAHN
C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)CN1C	ZINC000241439969	352304931	/nfs/dbraw/zinc/30/49/31/352304931.db2.gz	NNXMTZCRMBVIHR-NQBHXWOUSA-N	0	3	297.359	0.177	50	5		CCBAHN
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CCN1	ZINC000015443151	388789418	/nfs/dbraw/zinc/78/94/18/388789418.db2.gz	FSLXLICOGROISX-SECBINFHSA-N	0	3	299.352	0.796	50	5		CCBAHN
Cc1cc(N2CCN[C@@H](CO)C2)ncc1[N+](=O)[O-]	ZINC000952883198	841586985	/nfs/dbraw/zinc/58/69/85/841586985.db2.gz	RZTFRTGLWLEVNC-SECBINFHSA-N	0	3	252.274	0.069	50	5		CCBAHN
CN(C)CCNc1nc2ccccn2c(=O)c1[N+](=O)[O-]	ZINC000012820077	348022600	/nfs/dbraw/zinc/02/26/00/348022600.db2.gz	ONVLSYOQYNHPIX-UHFFFAOYSA-N	0	3	277.284	0.576	50	5		CCBAHN
O=[N+]([O-])c1ccc(N2CCN[C@H](CO)C2)c([N+](=O)[O-])c1	ZINC000952991726	649614573	/nfs/dbraw/zinc/61/45/73/649614573.db2.gz	DNHRVJNFKQGBDO-QMMMGPOBSA-N	0	3	282.256	0.274	50	5		CCBAHN
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC1CC[NH2+]CC1	ZINC000044503894	348320737	/nfs/dbraw/zinc/32/07/37/348320737.db2.gz	LQDDTHMWBGBEDR-UHFFFAOYSA-N	0	3	299.352	0.873	50	5		CCBAHN
CN(C)CCn1c(=O)onc1-c1ccc([N+](=O)[O-])cc1	ZINC000069452450	175831022	/nfs/dbraw/zinc/83/10/22/175831022.db2.gz	JFYUWOGGXOOBNA-UHFFFAOYSA-N	0	3	278.268	0.973	50	5		CCBAHN
C[C@H](CC[NH3+])[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000310725820	279262409	/nfs/dbraw/zinc/26/24/09/279262409.db2.gz	BZMKFVNJFSZNAK-MRVPVSSYSA-N	0	3	273.314	0.610	50	5		CCBAHN
CS(=O)(=O)c1ccc(N2CCNCC2)cc1[N+](=O)[O-]	ZINC000042684196	348288886	/nfs/dbraw/zinc/28/88/86/348288886.db2.gz	PXJCLNPAGNIXTJ-UHFFFAOYSA-N	0	3	285.325	0.408	50	5		CCBAHN
Cc1nc(N2CC(N[C@H]3CCOC3)C2)ccc1[N+](=O)[O-]	ZINC000952994360	649615450	/nfs/dbraw/zinc/61/54/50/649615450.db2.gz	ZWHQBSZIGCVYMC-JTQLQIEISA-N	0	3	278.312	0.865	50	5		CCBAHN
CN(C)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000005250767	170079555	/nfs/dbraw/zinc/07/95/55/170079555.db2.gz	QGGWRXSGEOWOJJ-UHFFFAOYSA-N	0	3	280.284	0.211	50	5		CCBAHN
CC1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])ccc2=O)CC1	ZINC000096474326	528250887	/nfs/dbraw/zinc/25/08/87/528250887.db2.gz	QJMFRHAJOCEWRT-CYBMUJFWSA-N	0	3	295.339	0.849	50	5		CCBAHN
CCC[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000054266465	348547344	/nfs/dbraw/zinc/54/73/44/348547344.db2.gz	MWCWTDLUXGLUFC-UHFFFAOYSA-N	0	3	287.341	0.873	50	5		CCBAHN
CN(C)CCNc1ncc([N+](=O)[O-])c(NC2CC2)n1	ZINC000032803829	521792681	/nfs/dbraw/zinc/79/26/81/521792681.db2.gz	IXSCOYUPUWSSIY-UHFFFAOYSA-N	0	3	266.305	0.933	50	5		CCBAHN
CC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])ccc2=O)CC1	ZINC000096474323	528254184	/nfs/dbraw/zinc/25/41/84/528254184.db2.gz	QJMFRHAJOCEWRT-ZDUSSCGKSA-N	0	3	295.339	0.849	50	5		CCBAHN
[NH3+]CCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000002529178	347968971	/nfs/dbraw/zinc/96/89/71/347968971.db2.gz	MZMDBLLVFCKLRT-UHFFFAOYSA-N	0	3	259.287	0.222	50	5		CCBAHN
O=C(CCn1cc([N+](=O)[O-])cn1)N1CCN2CCC[C@H]2C1	ZINC000002770901	347972384	/nfs/dbraw/zinc/97/23/84/347972384.db2.gz	VHEKAJLLKYVFBE-NSHDSACASA-N	0	3	293.327	0.488	50	5		CCBAHN
O=[N+]([O-])c1nccn1C[C@H](O)CN1CCCCC1	ZINC000000000630	347936213	/nfs/dbraw/zinc/93/62/13/347936213.db2.gz	WVWOOAYQYLJEFD-SNVBAGLBSA-N	0	3	254.290	0.638	50	5	investigational	CCBAHN
Cc1nn(C)c(C(=O)N2CCN3CCC[C@H]3C2)c1[N+](=O)[O-]	ZINC000002761784	347971595	/nfs/dbraw/zinc/97/15/95/347971595.db2.gz	CNCQTLWLFMLWGT-JTQLQIEISA-N	0	3	293.327	0.557	50	5		CCBAHN
Cn1c2cc([N+](=O)[O-])c(N3CCNCC3)cc2n(C)c1=O	ZINC000004458510	347995199	/nfs/dbraw/zinc/99/51/99/347995199.db2.gz	JYXDFYWIKLODDC-UHFFFAOYSA-N	0	3	291.311	0.195	50	5		CCBAHN
CN(C)CCNC(=O)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1	ZINC000010326750	388767547	/nfs/dbraw/zinc/76/75/47/388767547.db2.gz	PUPQQHBVZHBSPB-UHFFFAOYSA-N	0	3	298.274	0.350	50	5		CCBAHN
Cc1cc(N2CCN[C@H](CO)C2)ncc1[N+](=O)[O-]	ZINC000952883201	841587419	/nfs/dbraw/zinc/58/74/19/841587419.db2.gz	RZTFRTGLWLEVNC-VIFPVBQESA-N	0	3	252.274	0.069	50	5		CCBAHN
C[NH2+]CCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000036298091	348165111	/nfs/dbraw/zinc/16/51/11/348165111.db2.gz	HSZUKQNDZVLHTP-UHFFFAOYSA-N	0	3	273.314	0.483	50	5		CCBAHN
Cc1nn(C)c(C(=O)N2CCN3CCC[C@@H]3C2)c1[N+](=O)[O-]	ZINC000002761785	347971685	/nfs/dbraw/zinc/97/16/85/347971685.db2.gz	CNCQTLWLFMLWGT-SNVBAGLBSA-N	0	3	293.327	0.557	50	5		CCBAHN
Cc1c([N+](=O)[O-])c(C(=O)N2CCN3CCC[C@H]3C2)nn1C	ZINC000000371768	347945763	/nfs/dbraw/zinc/94/57/63/347945763.db2.gz	ONFZYGAWXCLFST-JTQLQIEISA-N	0	3	293.327	0.557	50	5		CCBAHN
Cc1ccnc(N2CCN[C@@H](CO)C2)c1[N+](=O)[O-]	ZINC000952993423	649614245	/nfs/dbraw/zinc/61/42/45/649614245.db2.gz	HBSNOHWZSKMEDY-SECBINFHSA-N	0	3	252.274	0.069	50	5		CCBAHN
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@H]1CCC[NH2+]C1	ZINC000044502180	175186481	/nfs/dbraw/zinc/18/64/81/175186481.db2.gz	XWJMRMYNWBOPJT-JTQLQIEISA-N	0	3	299.352	0.873	50	5		CCBAHN
CS(=O)(=O)c1ccc(N2CCNCC2)c([N+](=O)[O-])c1	ZINC000003888818	278119733	/nfs/dbraw/zinc/11/97/33/278119733.db2.gz	JYZGGQKQOOFWRN-UHFFFAOYSA-N	0	3	285.325	0.408	50	5		CCBAHN
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@H]1CCC[NH2+]1	ZINC000053254440	527405576	/nfs/dbraw/zinc/40/55/76/527405576.db2.gz	KXQKWDLWJHHDOM-SECBINFHSA-N	0	3	285.325	0.625	50	5		CCBAHN
O=[N+]([O-])c1c2cccnc2ccc1N1CCN[C@H](CO)C1	ZINC000952994464	649615793	/nfs/dbraw/zinc/61/57/93/649615793.db2.gz	PPRDOUHZSGRKJP-JTQLQIEISA-N	0	3	288.307	0.914	50	5		CCBAHN
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C1CC[NH2+]CC1	ZINC000019259469	348058951	/nfs/dbraw/zinc/05/89/51/348058951.db2.gz	IFUUTYAHEYIOPW-UHFFFAOYSA-N	0	3	285.325	0.625	50	5		CCBAHN
COC(=O)c1cnc(N2C[C@@H](C)N[C@@H](C)C2)c([N+](=O)[O-])c1	ZINC000585141115	359252718	/nfs/dbraw/zinc/25/27/18/359252718.db2.gz	POBJMLVJOBICJR-DTORHVGOSA-N	0	3	294.311	0.963	50	5		CCBAHN
CN(c1ncnc(N)c1[N+](=O)[O-])C1CCN(C)CC1	ZINC000035682000	172353649	/nfs/dbraw/zinc/35/36/49/172353649.db2.gz	QKXLEFDPPCJJIC-UHFFFAOYSA-N	0	3	266.305	0.497	50	5		CCBAHN
CC1(C)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC(C)(C)N1	ZINC000585086016	839586466	/nfs/dbraw/zinc/58/64/66/839586466.db2.gz	JGZZMGOTDMKXKK-UHFFFAOYSA-N	0	3	295.343	0.780	50	5		CCBAHN
CN(C)CCNc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000005262128	170080834	/nfs/dbraw/zinc/08/08/34/170080834.db2.gz	ZQLYNWVYDSVRAF-UHFFFAOYSA-N	0	3	252.274	0.667	50	5		CCBAHN
COC(=O)c1cc([N+](=O)[O-])ccc1N1CCNCC1	ZINC000003884277	347987187	/nfs/dbraw/zinc/98/71/87/347987187.db2.gz	PYZUYRBYEKFTPS-UHFFFAOYSA-N	0	3	265.269	0.791	50	5		CCBAHN
CCN1CCCN(c2ncc([N+](=O)[O-])c(N)n2)CC1	ZINC000062022629	348662146	/nfs/dbraw/zinc/66/21/46/348662146.db2.gz	STXSWNHTYWYHOJ-UHFFFAOYSA-N	0	3	266.305	0.499	50	5		CCBAHN
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC[NH3+])c1C	ZINC000195544500	351918398	/nfs/dbraw/zinc/91/83/98/351918398.db2.gz	DIUJXSZTLXPOTN-UHFFFAOYSA-N	0	3	287.341	0.839	50	5		CCBAHN
O=c1[nH]c2cc([N+](=O)[O-])c(N3CCNCC3)cc2[nH]1	ZINC000004458469	285199099	/nfs/dbraw/zinc/19/90/99/285199099.db2.gz	AGRMMFLRPASFFO-UHFFFAOYSA-N	0	3	263.257	0.174	50	5		CCBAHN
C[C@H]1CC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)N1C	ZINC000521394105	256854982	/nfs/dbraw/zinc/85/49/82/256854982.db2.gz	HDECZWIRYGGMSF-UWVGGRQHSA-N	0	3	281.316	0.390	50	5		CCBAHN
C[C@H]([NH3+])CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000063170858	348680036	/nfs/dbraw/zinc/68/00/36/348680036.db2.gz	CIQHROBISPXPJJ-QMMMGPOBSA-N	0	3	273.314	0.610	50	5		CCBAHN
O=[N+]([O-])c1ccc(N2CCCN(CCO)CC2)nc1	ZINC000069698148	348857649	/nfs/dbraw/zinc/85/76/49/348857649.db2.gz	NDHXBVXYMLFGPH-UHFFFAOYSA-N	0	3	266.301	0.494	50	5		CCBAHN
CCN1CCN([C@@H](C)CNc2c([N+](=O)[O-])ncn2C)CC1	ZINC000048325717	411654809	/nfs/dbraw/zinc/65/48/09/411654809.db2.gz	ZECHXOUVMCIHBF-NSHDSACASA-N	0	3	296.375	0.766	50	5		CCBAHN
Cc1c([N+](=O)[O-])c(C(=O)NC2CCN(C)CC2)nn1C	ZINC000002781090	347973048	/nfs/dbraw/zinc/97/30/48/347973048.db2.gz	COCNYYGKSVMHDP-UHFFFAOYSA-N	0	3	281.316	0.461	50	5		CCBAHN
CCN1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000424054481	527767689	/nfs/dbraw/zinc/76/76/89/527767689.db2.gz	ACMQUASLFJICQH-SECBINFHSA-N	0	3	267.289	0.002	50	5		CCBAHN
Cc1nc(N2CC(N[C@@H]3CCOC3)C2)ccc1[N+](=O)[O-]	ZINC000952994361	649615653	/nfs/dbraw/zinc/61/56/53/649615653.db2.gz	ZWHQBSZIGCVYMC-SNVBAGLBSA-N	0	3	278.312	0.865	50	5		CCBAHN
C[C@@H]1CN(c2ccc([N+](=O)[O-])c(NCCO)c2)CCN1	ZINC000004046674	347989113	/nfs/dbraw/zinc/98/91/13/347989113.db2.gz	LWKATNRNJGJLAS-SNVBAGLBSA-N	0	3	280.328	0.797	50	5		CCBAHN
NC(=O)c1cc([N+](=O)[O-])ccc1N1CCNCC1	ZINC000004755259	347999967	/nfs/dbraw/zinc/99/99/67/347999967.db2.gz	YBOIQHSVDGYNNM-UHFFFAOYSA-N	0	3	250.258	0.103	50	5		CCBAHN
C[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000054244495	348545358	/nfs/dbraw/zinc/54/53/58/348545358.db2.gz	CLBSOUYAJISZMH-UHFFFAOYSA-N	0	3	259.287	0.093	50	5		CCBAHN
C[C@@H](CC[NH3+])[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000310725821	277563982	/nfs/dbraw/zinc/56/39/82/277563982.db2.gz	BZMKFVNJFSZNAK-QMMMGPOBSA-N	0	3	273.314	0.610	50	5		CCBAHN
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCC[NH2+]C1	ZINC000071397273	280376012	/nfs/dbraw/zinc/37/60/12/280376012.db2.gz	IUSRQGSYQOAHSK-VIFPVBQESA-N	0	3	285.325	0.625	50	5		CCBAHN
Cn1ncc([N+](=O)[O-])c1C(=O)NC1CCN(C)CC1	ZINC000002776992	347972394	/nfs/dbraw/zinc/97/23/94/347972394.db2.gz	BZKSVZWISMGIHK-UHFFFAOYSA-N	0	3	267.289	0.152	50	5		CCBAHN
Cc1c([N+](=O)[O-])c(C(=O)N2CCN3CCC[C@@H]3C2)nn1C	ZINC000000371771	347946147	/nfs/dbraw/zinc/94/61/47/347946147.db2.gz	ONFZYGAWXCLFST-SNVBAGLBSA-N	0	3	293.327	0.557	50	5		CCBAHN
C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)CN1C	ZINC000108153172	186207527	/nfs/dbraw/zinc/20/75/27/186207527.db2.gz	NNXMTZCRMBVIHR-NTZNESFSSA-N	0	3	297.359	0.177	50	5		CCBAHN
CN(C)CCNC(=O)C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000005251387	170079932	/nfs/dbraw/zinc/07/99/32/170079932.db2.gz	RQQJQZSSEJXTBW-UHFFFAOYSA-N	0	3	280.284	0.211	50	5		CCBAHN
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCNCC1	ZINC000022219215	388797524	/nfs/dbraw/zinc/79/75/24/388797524.db2.gz	VBDLQKCVPSPMID-UHFFFAOYSA-N	0	3	285.325	0.579	50	5		CCBAHN
CC[C@@H]1CN(C)CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000537719665	390184091	/nfs/dbraw/zinc/18/40/91/390184091.db2.gz	GKYWBVOKGPJSIV-LLVKDONJSA-N	0	3	295.343	0.734	50	5		CCBAHN
O=[N+]([O-])c1ccc(N2CCN[C@@H](CO)C2)c([N+](=O)[O-])c1	ZINC000952991725	649614750	/nfs/dbraw/zinc/61/47/50/649614750.db2.gz	DNHRVJNFKQGBDO-MRVPVSSYSA-N	0	3	282.256	0.274	50	5		CCBAHN
Cc1cc([N+](=O)[O-])cn(CCCN2CCN(C)CC2)c1=O	ZINC000131089461	350261644	/nfs/dbraw/zinc/26/16/44/350261644.db2.gz	AOWTZEDKPVTAPF-UHFFFAOYSA-N	0	3	294.355	0.702	50	5		CCBAHN
CC[C@H]1CN(C)CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000537719678	390184550	/nfs/dbraw/zinc/18/45/50/390184550.db2.gz	GKYWBVOKGPJSIV-NSHDSACASA-N	0	3	295.343	0.734	50	5		CCBAHN
CN(C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000004700936	170001365	/nfs/dbraw/zinc/00/13/65/170001365.db2.gz	UIYMVJWCFMJTKB-UHFFFAOYSA-N	0	3	251.286	0.815	50	5		CCBAHN
O=[N+]([O-])c1ccc(S(=O)(=O)NCCNC2CC2)cc1	ZINC000054266986	348547463	/nfs/dbraw/zinc/54/74/63/348547463.db2.gz	IKXOJUUBLIYBNG-UHFFFAOYSA-N	0	3	285.325	0.625	50	5		CCBAHN
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCC[NH2+]C1	ZINC000071397272	348908990	/nfs/dbraw/zinc/90/89/90/348908990.db2.gz	IUSRQGSYQOAHSK-SECBINFHSA-N	0	3	285.325	0.625	50	5		CCBAHN
Cc1cc(S(C)(=O)=O)cc([N+](=O)[O-])c1N1CCNCC1	ZINC000015443669	280643106	/nfs/dbraw/zinc/64/31/06/280643106.db2.gz	QPJJKMMOKHYSIW-UHFFFAOYSA-N	0	3	299.352	0.716	50	5		CCBAHN
CN(C)CCN1C(=O)COc2ccc([N+](=O)[O-])cc21	ZINC000036108822	348159710	/nfs/dbraw/zinc/15/97/10/348159710.db2.gz	QWEXSIKKPGKLIZ-UHFFFAOYSA-N	0	3	265.269	0.882	50	5		CCBAHN
[NH3+]C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1	ZINC000087384085	295264684	/nfs/dbraw/zinc/26/46/84/295264684.db2.gz	ARDXHZHZFAIFSG-VIFPVBQESA-N	0	3	285.325	0.610	50	5		CCBAHN
CC[NH2+]CCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000036299422	388843987	/nfs/dbraw/zinc/84/39/87/388843987.db2.gz	WLPKZLVUUZZRJO-UHFFFAOYSA-N	0	3	287.341	0.873	50	5		CCBAHN
COC(=O)c1ccc(N2CCNCC2)c([N+](=O)[O-])c1	ZINC000003884471	277433412	/nfs/dbraw/zinc/43/34/12/277433412.db2.gz	YKSGLWWWNVWICU-UHFFFAOYSA-N	0	3	265.269	0.791	50	5		CCBAHN