smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N[C@H](CSC[C@H](C#N)C(=O)[O-])C(=O)[O-]	ZINC000077270071	177247177	/nfs/dbraw/zinc/24/71/77/177247177.db2.gz	LCOVTPWXUIAMFA-NKWVEPMBSA-N	-2	0	260.271	-0.467	10	30	in-vitro	CBEERL
CC(=O)N[C@H](CSC[C@@H](C#N)C(=O)[O-])C(=O)[O-]	ZINC000077270068	177247580	/nfs/dbraw/zinc/24/75/80/177247580.db2.gz	LCOVTPWXUIAMFA-RNFRBKRXSA-N	-2	0	260.271	-0.467	10	30	in-vitro	CBEERL
N#CCSCC(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000037584184	173530520	/nfs/dbraw/zinc/53/05/20/173530520.db2.gz	RUCWKRXZRBJKRH-ZCFIWIBFSA-N	-2	0	260.271	-0.323	10	30		CBEERL
N#Cc1ccc(C(=O)N[C@H](CC(=O)[O-])C(=O)[O-])o1	ZINC000606301890	355738823	/nfs/dbraw/zinc/73/88/23/355738823.db2.gz	MZHASBRJRSUAPC-ZCFIWIBFSA-N	-2	0	252.182	-0.191	10	30		CBEERL
CCOC(=O)C(=NN=c1[n-]nc(C(=O)[O-])[nH]1)C(C)=O	ZINC000096193246	256817612	/nfs/dbraw/zinc/81/76/12/256817612.db2.gz	NIWZRPYWYSFACU-VZUCSPMQSA-N	-2	0	269.217	-0.577	10	30		CBEERL
O=C([O-])CSCC(=O)N[C@@H](CCS)C(=O)[O-]	ZINC000033901012	171825284	/nfs/dbraw/zinc/82/52/84/171825284.db2.gz	JXVPSTRNHZDJFF-YFKPBYRVSA-N	-2	0	267.328	-0.307	10	30	in-vitro	CBEERL
N#Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])o1	ZINC000606301888	355738855	/nfs/dbraw/zinc/73/88/55/355738855.db2.gz	MZHASBRJRSUAPC-LURJTMIESA-N	-2	0	252.182	-0.191	10	30		CBEERL
CC(C)(O/N=C(\C(=O)[O-])c1nsc(N)n1)C(=O)[O-]	ZINC000034462512	351384500	/nfs/dbraw/zinc/38/45/00/351384500.db2.gz	LBWKJGADVUPZFR-JYOAFUTRSA-N	-2	0	274.258	-0.211	10	30		CBEERL
O=C([O-])[C@H](CS)NC(=O)N[C@@H](CS)C(=O)[O-]	ZINC000013861543	351339193	/nfs/dbraw/zinc/33/91/93/351339193.db2.gz	CMNXLSISTFSFFL-IMJSIDKUSA-N	-2	0	268.316	-0.948	10	30		CBEERL
O=C([O-])CSCC(=O)N[C@H](CCS)C(=O)[O-]	ZINC000065740761	351594207	/nfs/dbraw/zinc/59/42/07/351594207.db2.gz	JXVPSTRNHZDJFF-RXMQYKEDSA-N	-2	0	267.328	-0.307	10	30	in-vitro	CBEERL