smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)C[N+]#N	ZINC000141167607	570792022	/nfs/dbraw/zinc/79/20/22/570792022.db2.gz	QMPATRQNERZOMF-CRAIPNDOSA-N	1	0	394.431	1.899	10	10		GDCERO
C[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)C=[N+]=N)N1C(=O)c2ccccc2C1=O	ZINC000096448615	208316342	/nfs/dbraw/zinc/31/63/42/208316342.db2.gz	LELILLRGILQAEH-CXAGYDPISA-O	1	0	391.407	1.278	10	10		GDCERO
N=[N+]=CC(=O)CCNC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O	ZINC000096449038	211341209	/nfs/dbraw/zinc/34/12/09/211341209.db2.gz	URRNPYKEVJIPKF-GOSISDBHSA-O	1	0	391.407	1.279	10	10		GDCERO
COCCN1C(=O)C[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)[C@@H]1c1cnn(C)c1	ZINC000275256403	570688958	/nfs/dbraw/zinc/68/89/58/570688958.db2.gz	HLQWVAYLWHMTGE-LAUBAEHRSA-N	1	0	384.480	1.681	10	10		GDCERO