smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1cccc(Nc2cc(C)[nH+]c3c4ccccc4ccc23)c1	ZINC000000095880	563224310	/nfs/dbraw/zinc/22/43/10/563224310.db2.gz	DGRBGMNQWHCTBW-UHFFFAOYSA-N	1	1	326.399	5.643	50	5		EKBAMO
COc1ccc(Nc2cc(C)[nH+]c3c4ccccc4ccc23)cc1OC	ZINC000000506127	564019526	/nfs/dbraw/zinc/01/95/26/564019526.db2.gz	LIHIGCPKXGUITJ-UHFFFAOYSA-N	1	1	344.414	5.457	50	5		EKBAMO
Cn1c2ccccc2[nH+]c1NCc1c2ccccc2cc2ccccc21	ZINC000000554527	564023073	/nfs/dbraw/zinc/02/30/73/564023073.db2.gz	KKJQACUNXKCLJY-UHFFFAOYSA-N	1	1	337.426	5.492	50	5		EKBAMO
CC[NH+](CC)CCC[C@@H](C)Nc1ccnc2cc3ccccc3cc21	ZINC000002255561	564125410	/nfs/dbraw/zinc/12/54/10/564125410.db2.gz	OUAJLVIMXOMBTL-QGZVFWFLSA-N	1	1	335.495	5.310	50	5		EKBAMO
CC[NH+](CC)CCC[C@H](C)Nc1ccnc2cc3ccccc3cc21	ZINC000002255562	209835788	/nfs/dbraw/zinc/83/57/88/209835788.db2.gz	OUAJLVIMXOMBTL-KRWDZBQOSA-N	1	1	335.495	5.310	50	5		EKBAMO
CC[C@@H]1CCCC[N@H+]1Cc1c(C)[nH]c2c3ccccc3ccc2c1=O	ZINC000008700863	563635651	/nfs/dbraw/zinc/63/56/51/563635651.db2.gz	WKYRJGJNMQQYFK-QGZVFWFLSA-N	1	1	334.463	5.167	50	5		EKBAMO
CC[C@H]1CCCC[N@H+]1Cc1c(C)[nH]c2c3ccccc3ccc2c1=O	ZINC000008700864	563635729	/nfs/dbraw/zinc/63/57/29/563635729.db2.gz	WKYRJGJNMQQYFK-KRWDZBQOSA-N	1	1	334.463	5.167	50	5		EKBAMO
Cc1[nH]c2c3ccccc3ccc2c(=O)c1C[N@@H+](C)Cc1ccccc1	ZINC000008700868	564166401	/nfs/dbraw/zinc/16/64/01/564166401.db2.gz	JPDXDJSFWSONRM-UHFFFAOYSA-N	1	1	342.442	5.034	50	5		EKBAMO
C[C@@H]1C[N@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C[C@H](C)O1	ZINC000016663117	563819751	/nfs/dbraw/zinc/81/97/51/563819751.db2.gz	MEXAEAFRVORBOA-IYBDPMFKSA-N	1	1	329.443	5.193	50	5		EKBAMO
CCN(CC)CC[N@@H+](C)Cc1ccc2ccc3cccc4ccc1c2c34	ZINC000019609132	202015224	/nfs/dbraw/zinc/01/52/24/202015224.db2.gz	HZKINRRIPRGCGQ-UHFFFAOYSA-N	1	1	344.502	5.358	50	5		EKBAMO
CCN(CC)CC[N@H+](C)Cc1ccc2ccc3cccc4ccc1c2c34	ZINC000019609132	202015220	/nfs/dbraw/zinc/01/52/20/202015220.db2.gz	HZKINRRIPRGCGQ-UHFFFAOYSA-N	1	1	344.502	5.358	50	5		EKBAMO
CN1CCC([N@@H+](C)Cc2ccc3ccc4cccc5ccc2c3c45)CC1	ZINC000035335403	213022005	/nfs/dbraw/zinc/02/20/05/213022005.db2.gz	HRQDGJGYZPJKKG-UHFFFAOYSA-N	1	1	342.486	5.110	50	5		EKBAMO