smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCNC(=O)CN1CCN(C(=O)CSc2n[n-]c3nc(=NCC)[nH+]c(NCC)n32)CC1	ZINC000728530737	1067020595	/nfs/dbraw/zinc/02/05/95/1067020595.db2.gz	QISPIRSMECWWTQ-UHFFFAOYSA-N	0	2	460.568	-1.210	20	30		JAEDLN
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NS(=O)(=O)[C@H](C)C#N)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC001193173476	1067227498	/nfs/dbraw/zinc/22/74/98/1067227498.db2.gz	OKKFDBQDEAYVOE-CFBLMHNOSA-N	0	2	464.449	-1.099	20	30		JAEDLN
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NS(=O)(=O)[C@@H](C)C#N)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC001193173480	1067227306	/nfs/dbraw/zinc/22/73/06/1067227306.db2.gz	OKKFDBQDEAYVOE-MTCUQCOHSA-N	0	2	464.449	-1.099	20	30		JAEDLN
C=CCS(=O)(=O)Nc1nc(I)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC001259922731	1067386302	/nfs/dbraw/zinc/38/63/02/1067386302.db2.gz	GQRMQBVGHLPYOC-WOUKDFQISA-N	0	2	497.271	-1.030	20	30		JAEDLN