smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NCCC[C@@H](N)C(=O)NO	4507477	169137456	/nfs/dbraw/zinc/13/74/56/169137456.db2.gz	IXHTVNGQTIZAFS-SCSAIBSYSA-N	1	1	189.219	-1.918	50	30		AAEAMO
[NH3+][C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)CO	1995164	169242925	/nfs/dbraw/zinc/24/29/25/169242925.db2.gz	FZHXIRIBWMQPQF-KCDKBNATSA-N	1	1	179.172	-3.412	50	30	in-vitro	AAEAMO
[NH3+][C@@H](C=O)[C@H](O)[C@@H](O)[C@@H](O)CO	13507626	169243017	/nfs/dbraw/zinc/24/30/17/169243017.db2.gz	FZHXIRIBWMQPQF-BXKVDMCESA-N	1	1	179.172	-3.412	50	30		AAEAMO
[NH3+][C@@H](C=O)[C@H](O)[C@@H](O)[C@H](O)CO	19850146	169243340	/nfs/dbraw/zinc/24/33/40/169243340.db2.gz	FZHXIRIBWMQPQF-FSIIMWSLSA-N	1	1	179.172	-3.412	50	30	in-vitro	AAEAMO
[NH3+][C@@H](C=O)[C@H](O)[C@H](O)[C@@H](O)CO	1587580	169243401	/nfs/dbraw/zinc/24/34/01/169243401.db2.gz	FZHXIRIBWMQPQF-OMMKOOBNSA-N	1	1	179.172	-3.412	50	30		AAEAMO
[NH3+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO	2508224	169243440	/nfs/dbraw/zinc/24/34/40/169243440.db2.gz	FZHXIRIBWMQPQF-SLPGGIOYSA-N	1	1	179.172	-3.412	50	30	endogenous,in-man	AAEAMO
[NH3+][C@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO	2556395	169263290	/nfs/dbraw/zinc/26/32/90/169263290.db2.gz	FZHXIRIBWMQPQF-KVTDHHQDSA-N	1	1	179.172	-3.412	50	30	endogenous,in-vitro	AAEAMO
[NH3+][C@H](C=O)[C@H](O)[C@@H](O)[C@H](O)CO	8602490	169263374	/nfs/dbraw/zinc/26/33/74/169263374.db2.gz	FZHXIRIBWMQPQF-ZXXMMSQZSA-N	1	1	179.172	-3.412	50	30	biogenic,in-vitro	AAEAMO
[NH3+][C@H](C=O)[C@H](O)[C@@H](O)[C@@H](O)CO	3650207	169263580	/nfs/dbraw/zinc/26/35/80/169263580.db2.gz	FZHXIRIBWMQPQF-VANKVMQKSA-N	1	1	179.172	-3.412	50	30	biogenic	AAEAMO
[NH3+][C@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)CO	4353080	169264016	/nfs/dbraw/zinc/26/40/16/169264016.db2.gz	FZHXIRIBWMQPQF-KAZBKCHUSA-N	1	1	179.172	-3.412	50	30	in-vitro	AAEAMO
[NH3+][C@H](C=O)[C@H](O)[C@H](O)[C@@H](O)CO	1995163	169264198	/nfs/dbraw/zinc/26/41/98/169264198.db2.gz	FZHXIRIBWMQPQF-DPYQTVNSSA-N	1	1	179.172	-3.412	50	30	biogenic	AAEAMO
[NH3+][C@H](C=O)[C@H](O)[C@H](O)[C@H](O)CO	8602489	169264304	/nfs/dbraw/zinc/26/43/04/169264304.db2.gz	FZHXIRIBWMQPQF-ARQDHWQXSA-N	1	1	179.172	-3.412	50	30	biogenic	AAEAMO
[NH3+][C@H](C=O)[C@@H](O)[C@H](O)CCO	2508237	169264398	/nfs/dbraw/zinc/26/43/98/169264398.db2.gz	JEDHRDQRQUAZDW-HSUXUTPPSA-N	1	1	163.173	-2.383	50	30	in-vitro	AAEAMO