smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CO[C@@H]([C@H](OC)[N+](C)(C)C)[N+](C)(C)C	ZINC000003843381	342737871	/nfs/dbraw/zinc/73/78/71/342737871.db2.gz	PNXZJSVFTBMPKF-UWVGGRQHSA-N	2	0	206.330	0.344	50	5		BCBARP
CO[C@H]([C@H](OC)[N+](C)(C)C)[N+](C)(C)C	ZINC000013398623	342866783	/nfs/dbraw/zinc/86/67/83/342866783.db2.gz	PNXZJSVFTBMPKF-AOOOYVTPSA-N	2	0	206.330	0.344	50	5		BCBARP
CCCCC[NH2+]C[C@H](O)C[N+](C)(C)C	ZINC000071785203	387286253	/nfs/dbraw/zinc/28/62/53/387286253.db2.gz	AVGUQYNFQSZMHD-NSHDSACASA-N	2	0	203.350	0.833	50	5		BCBARP
CO[C@H]([C@@H](OC)[N+](C)(C)C)[N+](C)(C)C	ZINC000003843383	384029282	/nfs/dbraw/zinc/02/92/82/384029282.db2.gz	PNXZJSVFTBMPKF-NXEZZACHSA-N	2	0	206.330	0.344	50	5		BCBARP
CCCCC[NH2+]C[C@@H](O)C[N+](C)(C)C	ZINC000071785204	387286311	/nfs/dbraw/zinc/28/63/11/387286311.db2.gz	AVGUQYNFQSZMHD-LLVKDONJSA-N	2	0	203.350	0.833	50	5		BCBARP
C[N+](C)(C)CCOCCOCC[N+](C)(C)C	ZINC000001851760	384467466	/nfs/dbraw/zinc/46/74/66/384467466.db2.gz	BFJORURXTHFTPC-UHFFFAOYSA-N	2	0	234.384	0.432	50	5		BCBARP
[NH3+]CCc1ccc(CC[NH3+])c([N+](=O)[O-])c1	ZINC000003845287	411185585	/nfs/dbraw/zinc/18/55/85/411185585.db2.gz	OCJQBWLSAPYSRA-UHFFFAOYSA-N	2	0	209.249	0.597	50	5		BCBARP
NC(=[NH2+])c1cc(C(N)=[NH2+])cc([N+](=O)[O-])c1	ZINC000003161158	181194203	/nfs/dbraw/zinc/19/42/03/181194203.db2.gz	FOVVSKFFJUIPAR-UHFFFAOYSA-N	2	0	207.193	0.163	50	5		BCBARP
C[n+]1ccc(C(=O)NCCC[N+](C)(C)C)cc1	ZINC000095115864	388759151	/nfs/dbraw/zinc/75/91/51/388759151.db2.gz	QJXDTJUADOWBOX-UHFFFAOYSA-O	2	0	237.347	0.337	50	5		BCBARP
Cc1ccc(NC(=[NH2+])NC(N)=[NH2+])cc1[N+](=O)[O-]	ZINC000085389063	188143439	/nfs/dbraw/zinc/14/34/39/188143439.db2.gz	LZUVDCBBUFSLHY-UHFFFAOYSA-N	2	0	236.235	0.733	50	5		BCBARP