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	720940346	/nfs/dbraw/zinc/94/03/46/720940346.db2.gz	GHZORSJEAXBJTD-BWKNWUBXSA-N	2	0	479.585	2.222	20	5		JEBDRP
C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)CC2)c2ccccc21	ZINC001164687401	719684139	/nfs/dbraw/zinc/68/41/39/719684139.db2.gz	SKXJSTBKGPJFMO-SFHVURJKSA-N	2	0	493.612	2.165	20	5		JEBDRP
C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc(N3CC[NH2+]CC3)c1[N+](=O)[O-])CC2	ZINC001164792540	721491909	/nfs/dbraw/zinc/49/19/09/721491909.db2.gz	KORMGVIHTXXYOC-UHFFFAOYSA-N	2	0	452.563	2.070	20	5		JEBDRP
C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc(N3CC[NH2+]CC3)c1[N+](=O)[O-])CC2	ZINC001164839900	720671258	/nfs/dbraw/zinc/67/12/58/720671258.db2.gz	KQYQOVGRZGPDKH-FQEVSTJZSA-N	2	0	467.574	2.054	20	5		JEBDRP
O=[N+]([O-])c1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1C1C[NH2+]C1	ZINC001164748500	720939561	/nfs/dbraw/zinc/93/95/61/720939561.db2.gz	GHZORSJEAXBJTD-SQJMNOBHSA-N	2	0	479.585	2.222	20	5		JEBDRP
C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc(N3CC[NH2+]CC3)c1[N+](=O)[O-])CC2	ZINC001164839902	720669807	/nfs/dbraw/zinc/66/98/07/720669807.db2.gz	KQYQOVGRZGPDKH-HXUWFJFHSA-N	2	0	467.574	2.054	20	5		JEBDRP
C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)CC2)c2ccccc21	ZINC001164687398	719684892	/nfs/dbraw/zinc/68/48/92/719684892.db2.gz	SKXJSTBKGPJFMO-GOSISDBHSA-N	2	0	493.612	2.165	20	5		JEBDRP
O=[N+]([O-])c1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1C1C[NH2+]C1	ZINC001164748499	720939644	/nfs/dbraw/zinc/93/96/44/720939644.db2.gz	GHZORSJEAXBJTD-PXDATVDWSA-N	2	0	479.585	2.222	20	5		JEBDRP
O=[N+]([O-])c1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1C1C[NH2+]C1	ZINC001164748497	720939985	/nfs/dbraw/zinc/93/99/85/720939985.db2.gz	GHZORSJEAXBJTD-OFVILXPXSA-N	2	0	479.585	2.222	20	5		JEBDRP
Cc1nc(C[N@@H+]2CCCC23CCN(c2ncnc(N4CC[NH2+]CC4)c2[N+](=O)[O-])CC3)cs1	ZINC001164690830	719805250	/nfs/dbraw/zinc/80/52/50/719805250.db2.gz	APFHNPKLGGKQRZ-UHFFFAOYSA-N	2	0	458.592	2.194	20	5		JEBDRP