smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1C1C[NH2+]C1	ZINC001164748495	720940370	/nfs/dbraw/zinc/94/03/70/720940370.db2.gz	GHZORSJEAXBJTD-BWKNWUBXSA-N	2	1	479.585	2.222	20	5		JEBDMP
C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc(N3CC[NH2+]CC3)c1[N+](=O)[O-])CC2	ZINC001164792540	721491912	/nfs/dbraw/zinc/49/19/12/721491912.db2.gz	KORMGVIHTXXYOC-UHFFFAOYSA-N	2	1	452.563	2.070	20	5		JEBDMP
C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc(N3CC[NH2+]CC3)c1[N+](=O)[O-])CC2	ZINC001164839900	720671272	/nfs/dbraw/zinc/67/12/72/720671272.db2.gz	KQYQOVGRZGPDKH-FQEVSTJZSA-N	2	1	467.574	2.054	20	5		JEBDMP
O=[N+]([O-])c1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1C1C[NH2+]C1	ZINC001164748500	720939570	/nfs/dbraw/zinc/93/95/70/720939570.db2.gz	GHZORSJEAXBJTD-SQJMNOBHSA-N	2	1	479.585	2.222	20	5		JEBDMP
C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc(N3CC[NH2+]CC3)c1[N+](=O)[O-])CC2	ZINC001164839902	720669810	/nfs/dbraw/zinc/66/98/10/720669810.db2.gz	KQYQOVGRZGPDKH-HXUWFJFHSA-N	2	1	467.574	2.054	20	5		JEBDMP
O=[N+]([O-])c1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1C1C[NH2+]C1	ZINC001164748499	720939661	/nfs/dbraw/zinc/93/96/61/720939661.db2.gz	GHZORSJEAXBJTD-PXDATVDWSA-N	2	1	479.585	2.222	20	5		JEBDMP
O=[N+]([O-])c1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1C1C[NH2+]C1	ZINC001164748497	720939997	/nfs/dbraw/zinc/93/99/97/720939997.db2.gz	GHZORSJEAXBJTD-OFVILXPXSA-N	2	1	479.585	2.222	20	5		JEBDMP
C[NH+](C)/C=C/c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncc1[N+](=O)[O-]	ZINC001164747273	720845822	/nfs/dbraw/zinc/84/58/22/720845822.db2.gz	QAWOQNKUVIKRES-QQDVYYJJSA-N	2	1	452.563	2.493	20	5		JEBDMP
C[NH+](C)/C=C/c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncc1[N+](=O)[O-]	ZINC001164747273	720845827	/nfs/dbraw/zinc/84/58/27/720845827.db2.gz	QAWOQNKUVIKRES-QQDVYYJJSA-N	2	1	452.563	2.493	20	5		JEBDMP
C[NH+](C)/C=C\c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncc1[N+](=O)[O-]	ZINC001164747274	720845957	/nfs/dbraw/zinc/84/59/57/720845957.db2.gz	QAWOQNKUVIKRES-XTTOSJSKSA-N	2	1	452.563	2.493	20	5		JEBDMP
C[NH+](C)/C=C\c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncc1[N+](=O)[O-]	ZINC001164747274	720845960	/nfs/dbraw/zinc/84/59/60/720845960.db2.gz	QAWOQNKUVIKRES-XTTOSJSKSA-N	2	1	452.563	2.493	20	5		JEBDMP
C[NH+](C)/C=C/c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncc1[N+](=O)[O-]	ZINC001164747269	720845990	/nfs/dbraw/zinc/84/59/90/720845990.db2.gz	QAWOQNKUVIKRES-BLYYOLSLSA-N	2	1	452.563	2.493	20	5		JEBDMP
C[NH+](C)/C=C/c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncc1[N+](=O)[O-]	ZINC001164747269	720845991	/nfs/dbraw/zinc/84/59/91/720845991.db2.gz	QAWOQNKUVIKRES-BLYYOLSLSA-N	2	1	452.563	2.493	20	5		JEBDMP
C[NH+](C)/C=C\c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncc1[N+](=O)[O-]	ZINC001164747272	720845659	/nfs/dbraw/zinc/84/56/59/720845659.db2.gz	QAWOQNKUVIKRES-QBIBHHIVSA-N	2	1	452.563	2.493	20	5		JEBDMP
C[NH+](C)/C=C\c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncc1[N+](=O)[O-]	ZINC001164747272	720845661	/nfs/dbraw/zinc/84/56/61/720845661.db2.gz	QAWOQNKUVIKRES-QBIBHHIVSA-N	2	1	452.563	2.493	20	5		JEBDMP
Cc1nc(C[N@H+]2CCCC23CCN(c2ncnc(N4CC[NH2+]CC4)c2[N+](=O)[O-])CC3)cs1	ZINC001164690830	719805251	/nfs/dbraw/zinc/80/52/51/719805251.db2.gz	APFHNPKLGGKQRZ-UHFFFAOYSA-N	2	1	458.592	2.194	20	5		JEBDMP