smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C#N)C(=O)N(CC#N)CC(=O)[O-]	825966442	583050767	/nfs/dbraw/zinc/05/07/67/583050767.db2.gz	CXEFILUWYFXBRG-ZCFIWIBFSA-N	-1	2	195.178	-0.417	20	30		ABEDLM
C[C@H](C#N)C(=O)N(CC#N)CC(=O)[O-]	825966442	583050770	/nfs/dbraw/zinc/05/07/70/583050770.db2.gz	CXEFILUWYFXBRG-ZCFIWIBFSA-N	-1	2	195.178	-0.417	20	30		ABEDLM
CC(C#N)C(=O)N(CC#N)CC(=O)[O-]	825966441	583050895	/nfs/dbraw/zinc/05/08/95/583050895.db2.gz	CXEFILUWYFXBRG-LURJTMIESA-N	-1	2	195.178	-0.417	20	30		ABEDLM
C[C@@H](C#N)C(=O)N(CC#N)CC(=O)[O-]	825966441	583050897	/nfs/dbraw/zinc/05/08/97/583050897.db2.gz	CXEFILUWYFXBRG-LURJTMIESA-N	-1	2	195.178	-0.417	20	30		ABEDLM
C#CC[N@H+]1CCCC[C@H]1C(=O)NO	306445409	491051232	/nfs/dbraw/zinc/05/12/32/491051232.db2.gz	SPQGIZZYFNQZBB-QMMMGPOBSA-N	-1	2	182.223	-0.021	20	30		ABEDLM
C#CC[N@H+]1CCCC[C@@H]1C(=O)NO	306445407	491051301	/nfs/dbraw/zinc/05/13/01/491051301.db2.gz	SPQGIZZYFNQZBB-MRVPVSSYSA-N	-1	2	182.223	-0.021	20	30		ABEDLM
N#Cc1cc2c([nH]c1=O)C[NH2+]C2	84226671	169118487	/nfs/dbraw/zinc/11/84/87/169118487.db2.gz	MMNWZQBZNKSKPX-UHFFFAOYSA-N	-1	2	161.164	-0.150	20	30		ABEDLM
Cn1c[nH+]cc1CCC(=O)NO	307147050	345840297	/nfs/dbraw/zinc/84/02/97/345840297.db2.gz	HQOLFCYQPKEYIV-UHFFFAOYSA-N	-1	2	169.184	-0.142	20	30		ABEDLM
C#CCONC(=O)[C@@H](C(=O)[O-])C1CC1	1588430392	958254758	/nfs/dbraw/zinc/25/47/58/958254758.db2.gz	BSFIHEOORBFRNI-ZETCQYMHSA-N	-1	2	197.190	-0.222	20	30		ABEDLM
C#CCONC(=O)[C@H](C(=O)[O-])C1CC1	1588430389	958255426	/nfs/dbraw/zinc/25/54/26/958255426.db2.gz	BSFIHEOORBFRNI-SSDOTTSWSA-N	-1	2	197.190	-0.222	20	30		ABEDLM
C=CCONC(=O)CNC(=O)[O-]	1573368247	963076283	/nfs/dbraw/zinc/07/62/83/963076283.db2.gz	CHUNAADVKVDEIF-UHFFFAOYSA-N	-1	2	174.156	-0.512	20	30		ABEDLM