smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCn1c(=O)n(CC=C)c(=O)n(CC[NH+]2CCOCC2)c1=O	ZINC000071893934	372766877	/nfs/dbraw/zinc/76/68/77/372766877.db2.gz	XKEXBFKOAGFSMB-UHFFFAOYSA-N	1	2	322.365	-1.124	50	30		DAEALO
CN(CC(=O)NCC#CC[NH+]1CCOCC1)S(C)(=O)=O	ZINC000075164885	191436760	/nfs/dbraw/zinc/43/67/60/191436760.db2.gz	DCEDUXVIQRVYHG-UHFFFAOYSA-N	1	2	303.384	-1.670	50	30		DAEALO
Cn1c(N2CCC[N@H+](CC(N)=O)CC2)c(C#N)c(=O)n(C)c1=O	ZINC000054389022	294159516	/nfs/dbraw/zinc/15/95/16/294159516.db2.gz	WJLRXALTDRKWFC-UHFFFAOYSA-N	1	2	320.353	-2.047	50	30		DAEALO
Cn1c(N2CCC[N@@H+](CC(N)=O)CC2)c(C#N)c(=O)n(C)c1=O	ZINC000054389022	294159522	/nfs/dbraw/zinc/15/95/22/294159522.db2.gz	WJLRXALTDRKWFC-UHFFFAOYSA-N	1	2	320.353	-2.047	50	30		DAEALO
C=CCNC(=O)C[NH+]1CCN(c2ccc3nnnn3n2)CC1	ZINC000022202802	182313633	/nfs/dbraw/zinc/31/36/33/182313633.db2.gz	QAIFMTPNBYSKMR-UHFFFAOYSA-N	1	2	302.342	-1.057	50	30		DAEALO