smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC#CC[C@@H](NS(=O)(=O)c1ccc(OC)cc1[N-]S(=O)(=O)CC)C(=O)[O-]	ZINC000540999663	1075823258	/nfs/dbraw/zinc/82/32/58/1075823258.db2.gz	AZKBMFUFQSHRRQ-GFCCVEGCSA-N	-2	0	404.466	0.602	20	30		HCEDRL
CC#CC[C@H](NS(=O)(=O)c1ccc(OC)cc1[N-]S(=O)(=O)CC)C(=O)[O-]	ZINC000540999664	1075823235	/nfs/dbraw/zinc/82/32/35/1075823235.db2.gz	AZKBMFUFQSHRRQ-LBPRGKRZSA-N	-2	0	404.466	0.602	20	30		HCEDRL
COc1cc(/C=C\C(=O)c2cnc([O-])n(C)c2=O)c([N+](=O)[O-])cc1OCC(=O)[O-]	ZINC000761811986	1077740240	/nfs/dbraw/zinc/74/02/40/1077740240.db2.gz	KTHOVDBLSPDDLG-ARJAWSKDSA-N	-2	0	405.319	0.762	20	30		HCEDRL
COc1cc(/C=C/C(=O)c2cnc([O-])n(C)c2=O)c([N+](=O)[O-])cc1OCC(=O)[O-]	ZINC000761811988	1077740121	/nfs/dbraw/zinc/74/01/21/1077740121.db2.gz	KTHOVDBLSPDDLG-ONEGZZNKSA-N	-2	0	405.319	0.762	20	30		HCEDRL
CC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(S(=O)(=O)NCCCC(=O)[O-])cc1	ZINC000916282589	1078078045	/nfs/dbraw/zinc/07/80/45/1078078045.db2.gz	IVBCEGLNPNVYFN-UHFFFAOYSA-N	-2	0	408.440	0.865	20	30		HCEDRL
COCCCn1c(=O)c2ccc(C([O-])=C(C#N)C(=O)NCCOC)cc2[n-]c1=S	ZINC000916890473	1078164063	/nfs/dbraw/zinc/16/40/63/1078164063.db2.gz	IJFLVRMUEBJRDY-AWEZNQCLSA-N	-2	0	418.475	0.807	20	30		HCEDRL
COCCCn1c(=O)c2ccc(C([O-])=C(C#N)C(=O)NCCOC)cc2[n-]c1=S	ZINC000916890474	1078164097	/nfs/dbraw/zinc/16/40/97/1078164097.db2.gz	IJFLVRMUEBJRDY-CQSZACIVSA-N	-2	0	418.475	0.807	20	30		HCEDRL
C#CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000919960024	1079056274	/nfs/dbraw/zinc/05/62/74/1079056274.db2.gz	VKGOLPXFSJITHC-UHFFFAOYSA-N	-2	0	415.427	0.665	20	30		HCEDRL