smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1cc(N2CCCC2)cc2nc3cc(N4CCCC4)ccc3cc12	ZINC000028396574	182522945	/nfs/dbraw/zinc/52/29/45/182522945.db2.gz	JXOBFTINMKMWKH-UHFFFAOYSA-N	0	3	317.436	4.588	1	5		DJBFHN
C[n+]1c2c3ccccc3[n-]c2c(Cl)c2ccc(Cl)cc21	ZINC000066166939	184394402	/nfs/dbraw/zinc/39/44/02/184394402.db2.gz	GRMWZTPOQNHCCF-UHFFFAOYSA-O	0	3	302.184	4.606	1	5		DJBFHN
C[C@H](c1cccc2ccccc21)N(C)Cc1ccc([N+](=O)[O-])cc1	ZINC000096930042	185392254	/nfs/dbraw/zinc/39/22/54/185392254.db2.gz	MTCYTNQNZFTFSO-OAHLLOKOSA-N	0	3	320.392	4.941	1	5		DJBFHN
CCn1cc2c3c1c1ccccc1oc3ccc2NCCN(C)C	ZINC000040567264	183103800	/nfs/dbraw/zinc/10/38/00/183103800.db2.gz	ATCWPELWKHFLHN-UHFFFAOYSA-N	0	3	321.424	4.534	1	5		DJBFHN
N=c1ccc2c(-c3ccccc3)c3ccc(N)cc3sc-2c1	ZINC000040949475	183150929	/nfs/dbraw/zinc/15/09/29/183150929.db2.gz	JELBKKMJVYHXBP-UHFFFAOYSA-N	0	3	302.402	4.735	1	5		DJBFHN