smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(-c2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)nn2)cc1[N+](=O)[O-]	ZINC001164738689	720739104	/nfs/dbraw/zinc/73/91/04/720739104.db2.gz	GWAWZRNTUARPJV-ZWKOTPCHSA-N	0	3	433.472	2.492	20	5		IEBDHN
CN(C)/C=C/c1cc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)ncc1[N+](=O)[O-]	ZINC001164898444	721432505	/nfs/dbraw/zinc/43/25/05/721432505.db2.gz	VZHGICGUJAFFJV-BJPOTMLSSA-N	0	3	444.580	2.288	20	5		IEBDHN
CCOC(=O)c1ccnc(N2CCC(N3CCC(C(=O)OCC)CC3)CC2)c1[N+](=O)[O-]	ZINC001164618862	719033815	/nfs/dbraw/zinc/03/38/15/719033815.db2.gz	ZETTUBHEFYVNMP-UHFFFAOYSA-N	0	3	434.493	2.410	20	5		IEBDHN
COC(=O)[C@@H]1CNCCN1C(F)(F)c1cc(-c2cccc([N+](=O)[O-])c2)nnc1Cl	ZINC001164630604	719137789	/nfs/dbraw/zinc/13/77/89/719137789.db2.gz	JQNRSTCNPAIXGJ-AWEZNQCLSA-N	0	3	427.795	2.201	20	5		IEBDHN
O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1	ZINC001164738872	720662394	/nfs/dbraw/zinc/66/23/94/720662394.db2.gz	LEOUZYDZZLLJNY-UONOGXRCSA-N	0	3	427.852	2.323	20	5		IEBDHN
O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1	ZINC001164738873	720663033	/nfs/dbraw/zinc/66/30/33/720663033.db2.gz	LEOUZYDZZLLJNY-ZIAGYGMSSA-N	0	3	427.852	2.323	20	5		IEBDHN
O=[N+]([O-])c1cc(-c2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)ccc1F	ZINC001164745427	720794118	/nfs/dbraw/zinc/79/41/18/720794118.db2.gz	KIMKJYDZPSTDFP-HZPDHXFCSA-N	0	3	437.435	2.323	20	5		IEBDHN
O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1	ZINC001164750471	720804919	/nfs/dbraw/zinc/80/49/19/720804919.db2.gz	VVGFKTJJRHBKEH-KGLIPLIRSA-N	0	3	427.852	2.323	20	5		IEBDHN
CN(C)/C=C/c1cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)ncc1[N+](=O)[O-]	ZINC001164898453	721432238	/nfs/dbraw/zinc/43/22/38/721432238.db2.gz	VZHGICGUJAFFJV-IVFUSOGKSA-N	0	3	444.580	2.288	20	5		IEBDHN
CNC(=O)CN1CCCC12CCN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)CC2	ZINC001164689547	719751155	/nfs/dbraw/zinc/75/11/55/719751155.db2.gz	HLGCGMWYADNXLW-UHFFFAOYSA-N	0	3	428.468	2.372	20	5		IEBDHN
CCOC(=O)C(C(=O)OCC)c1nc(N2CCN(C3CCCC3)CC2)ccc1[N+](=O)[O-]	ZINC001165033818	721862974	/nfs/dbraw/zinc/86/29/74/721862974.db2.gz	ZFAPSMAFISVTEK-UHFFFAOYSA-N	0	3	434.493	2.264	20	5		IEBDHN
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC2(CCCN2CC(=O)NC)CC1	ZINC001164682212	719703366	/nfs/dbraw/zinc/70/33/66/719703366.db2.gz	CMMWSMKDQHGIAF-UHFFFAOYSA-N	0	3	439.900	2.001	20	5		IEBDHN
O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c1	ZINC001164750475	720804961	/nfs/dbraw/zinc/80/49/61/720804961.db2.gz	VVGFKTJJRHBKEH-UONOGXRCSA-N	0	3	427.852	2.323	20	5		IEBDHN
O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1	ZINC001164750467	720805351	/nfs/dbraw/zinc/80/53/51/720805351.db2.gz	VVGFKTJJRHBKEH-KBPBESRZSA-N	0	3	427.852	2.323	20	5		IEBDHN
COc1cc2ncnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2cc1[N+](=O)[O-]	ZINC001164865324	721091625	/nfs/dbraw/zinc/09/16/25/721091625.db2.gz	KAPZVINRSVGFKJ-IRXDYDNUSA-N	0	3	436.472	2.421	20	5		IEBDHN
O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1	ZINC001164738871	720662906	/nfs/dbraw/zinc/66/29/06/720662906.db2.gz	LEOUZYDZZLLJNY-KGLIPLIRSA-N	0	3	427.852	2.323	20	5		IEBDHN
Cc1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164737216	720775713	/nfs/dbraw/zinc/77/57/13/720775713.db2.gz	AZCBSOGJSYBSOA-RBUKOAKNSA-N	0	3	433.472	2.492	20	5		IEBDHN
Cc1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164737215	720776498	/nfs/dbraw/zinc/77/64/98/720776498.db2.gz	AZCBSOGJSYBSOA-OALUTQOASA-N	0	3	433.472	2.492	20	5		IEBDHN
O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1	ZINC001164750478	720805090	/nfs/dbraw/zinc/80/50/90/720805090.db2.gz	VVGFKTJJRHBKEH-ZIAGYGMSSA-N	0	3	427.852	2.323	20	5		IEBDHN
COc1cc2ncnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2cc1[N+](=O)[O-]	ZINC001164865323	721091906	/nfs/dbraw/zinc/09/19/06/721091906.db2.gz	KAPZVINRSVGFKJ-IAGOWNOFSA-N	0	3	436.472	2.421	20	5		IEBDHN
O=[N+]([O-])c1cc(-c2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)nn2)ccc1F	ZINC001164745426	720795933	/nfs/dbraw/zinc/79/59/33/720795933.db2.gz	KIMKJYDZPSTDFP-HOTGVXAUSA-N	0	3	437.435	2.323	20	5		IEBDHN
COC(=O)[C@H]1CNCCN1C(F)(F)c1cc(-c2ccc([N+](=O)[O-])cc2)nnc1Cl	ZINC001164634353	719138554	/nfs/dbraw/zinc/13/85/54/719138554.db2.gz	USSUAHOLDVUTHE-CQSZACIVSA-N	0	3	427.795	2.201	20	5		IEBDHN
O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1	ZINC001164738870	720663345	/nfs/dbraw/zinc/66/33/45/720663345.db2.gz	LEOUZYDZZLLJNY-KBPBESRZSA-N	0	3	427.852	2.323	20	5		IEBDHN
Cc1ccc(-c2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)nn2)cc1[N+](=O)[O-]	ZINC001164738687	720738201	/nfs/dbraw/zinc/73/82/01/720738201.db2.gz	GWAWZRNTUARPJV-ROUUACIJSA-N	0	3	433.472	2.492	20	5		IEBDHN
Cc1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164737214	720775058	/nfs/dbraw/zinc/77/50/58/720775058.db2.gz	AZCBSOGJSYBSOA-MOPGFXCFSA-N	0	3	433.472	2.492	20	5		IEBDHN
Cc1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164737217	720774391	/nfs/dbraw/zinc/77/43/91/720774391.db2.gz	AZCBSOGJSYBSOA-RTBURBONSA-N	0	3	433.472	2.492	20	5		IEBDHN
O=[N+]([O-])c1cc(-c2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nn2)ccc1F	ZINC001164745425	720795279	/nfs/dbraw/zinc/79/52/79/720795279.db2.gz	KIMKJYDZPSTDFP-CVEARBPZSA-N	0	3	437.435	2.323	20	5		IEBDHN
COc1cc2ncnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2cc1[N+](=O)[O-]	ZINC001164865325	721091255	/nfs/dbraw/zinc/09/12/55/721091255.db2.gz	KAPZVINRSVGFKJ-SJORKVTESA-N	0	3	436.472	2.421	20	5		IEBDHN
COC(=O)[C@@H]1CNCCN1C(F)(F)c1cc(-c2ccc([N+](=O)[O-])cc2)nnc1Cl	ZINC001164634349	719137450	/nfs/dbraw/zinc/13/74/50/719137450.db2.gz	USSUAHOLDVUTHE-AWEZNQCLSA-N	0	3	427.795	2.201	20	5		IEBDHN
COC(=O)[C@H]1CNCCN1C(F)(F)c1cc(-c2cccc([N+](=O)[O-])c2)nnc1Cl	ZINC001164630605	719137437	/nfs/dbraw/zinc/13/74/37/719137437.db2.gz	JQNRSTCNPAIXGJ-CQSZACIVSA-N	0	3	427.795	2.201	20	5		IEBDHN
Cc1ccc(-c2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nn2)cc1[N+](=O)[O-]	ZINC001164738684	720738754	/nfs/dbraw/zinc/73/87/54/720738754.db2.gz	GWAWZRNTUARPJV-MSOLQXFVSA-N	0	3	433.472	2.492	20	5		IEBDHN
CN(C)/C=C\c1cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)ncc1[N+](=O)[O-]	ZINC001164898448	721432807	/nfs/dbraw/zinc/43/28/07/721432807.db2.gz	VZHGICGUJAFFJV-BUBNMIKSSA-N	0	3	444.580	2.288	20	5		IEBDHN
Cc1ccc(-c2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)cc1[N+](=O)[O-]	ZINC001164738686	720739730	/nfs/dbraw/zinc/73/97/30/720739730.db2.gz	GWAWZRNTUARPJV-QZTJIDSGSA-N	0	3	433.472	2.492	20	5		IEBDHN
O=[N+]([O-])c1cc(-c2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)nn2)ccc1F	ZINC001164745428	720794705	/nfs/dbraw/zinc/79/47/05/720794705.db2.gz	KIMKJYDZPSTDFP-JKSUJKDBSA-N	0	3	437.435	2.323	20	5		IEBDHN
COc1cc2ncnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c2cc1[N+](=O)[O-]	ZINC001164865322	721090950	/nfs/dbraw/zinc/09/09/50/721090950.db2.gz	KAPZVINRSVGFKJ-DLBZAZTESA-N	0	3	436.472	2.421	20	5		IEBDHN
CNC(=O)CN1CCCC12CCN(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])CC2	ZINC001164690214	719742144	/nfs/dbraw/zinc/74/21/44/719742144.db2.gz	VEMXBPQVWUWXRP-UHFFFAOYSA-N	0	3	436.822	2.238	20	5		IEBDHN
CN(C)/C=C\c1cc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)ncc1[N+](=O)[O-]	ZINC001164898451	721432748	/nfs/dbraw/zinc/43/27/48/721432748.db2.gz	VZHGICGUJAFFJV-HTNXSTSNSA-N	0	3	444.580	2.288	20	5		IEBDHN