smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)c1ccc2ccc3cccc4ccc1c2c34	ZINC000003132693	570320288	/nfs/dbraw/zinc/32/02/88/570320288.db2.gz	PUZJMHLRMPMPEK-UHFFFAOYSA-N	1	2	273.379	5.430	50	5		CKBALO
c1ccc(-c2c3ccccc3[nH+]c3ccccc32)cc1	ZINC000003894864	567854340	/nfs/dbraw/zinc/85/43/40/567854340.db2.gz	MTRFEWTWIPAXLG-UHFFFAOYSA-N	1	2	255.320	5.055	50	5		CKBALO
c1[nH]c2ccccc2c1-c1c2ccccc2[nH+]c2ccccc21	ZINC000004133877	567189535	/nfs/dbraw/zinc/18/95/35/567189535.db2.gz	GDVZXLBQMLKZDB-UHFFFAOYSA-N	1	2	294.357	5.536	50	5		CKBALO
Cc1ccc2[nH+]c3c4ccccc4ccc3c(C)c2c1	ZINC000004520919	567857670	/nfs/dbraw/zinc/85/76/70/567857670.db2.gz	HEFJMRLDXHSXEP-UHFFFAOYSA-N	1	2	257.336	5.158	50	5		CKBALO
Cc1ccc2c(C)c3ccc4ccccc4c3[nH+]c2c1	ZINC000004520920	567857650	/nfs/dbraw/zinc/85/76/50/567857650.db2.gz	RCWNHXIFXQTICS-UHFFFAOYSA-N	1	2	257.336	5.158	50	5		CKBALO
Cc1ccc2[nH+]c3ccccc3c(-c3ccccc3)c2c1	ZINC000004661575	326812109	/nfs/dbraw/zinc/81/21/09/326812109.db2.gz	UUCGWTURZPHFEE-UHFFFAOYSA-N	1	2	269.347	5.363	50	5		CKBALO
CCc1c2ccccc2[nH+]c2c3cccc4c3c(cc12)CC4	ZINC000004661594	326812029	/nfs/dbraw/zinc/81/20/29/326812029.db2.gz	ZYISUSMJKFKVPO-UHFFFAOYSA-N	1	2	283.374	5.202	50	5		CKBALO
CCCc1c2ccccc2[nH+]c2c3cccc4c3c(cc12)CC4	ZINC000004661610	326812025	/nfs/dbraw/zinc/81/20/25/326812025.db2.gz	FCVPZOAZUCJVED-UHFFFAOYSA-N	1	2	297.401	5.592	50	5		CKBALO
Cc1ccc2[nH+]c3ccccc3c(Cc3ccccc3)c2c1	ZINC000004661621	567858876	/nfs/dbraw/zinc/85/88/76/567858876.db2.gz	HEQFMYDVXIAXPR-UHFFFAOYSA-N	1	2	283.374	5.287	50	5		CKBALO
Cc1cc(C)c2[nH+]c3ccc4ccccc4c3cc2c1	ZINC000005200116	170075860	/nfs/dbraw/zinc/07/58/60/170075860.db2.gz	QJPFZQCEUDMYTG-UHFFFAOYSA-N	1	2	257.336	5.158	50	5		CKBALO
Cc1cccc(-c2c3ccccc3[nH+]c3ccccc32)c1	ZINC000005659642	567859676	/nfs/dbraw/zinc/85/96/76/567859676.db2.gz	DOGGTYYFTFGYQM-UHFFFAOYSA-N	1	2	269.347	5.363	50	5		CKBALO
c1ccc2cc3[nH+]c4ccc5ccccc5c4cc3cc2c1	ZINC000006118465	170177358	/nfs/dbraw/zinc/17/73/58/170177358.db2.gz	MRXMZJQYYWLOCW-UHFFFAOYSA-N	1	2	279.342	5.694	50	5		CKBALO
CN(C)c1ccc(-c2c3ccccc3[nH+]c3ccccc32)cc1	ZINC000006375145	170195964	/nfs/dbraw/zinc/19/59/64/170195964.db2.gz	WNLBSXDSYUMNDJ-UHFFFAOYSA-N	1	2	298.389	5.121	50	5		CKBALO
c1ccc(CNc2[nH+]c3ccccc3c3ccccc32)cc1	ZINC000019312549	567877464	/nfs/dbraw/zinc/87/74/64/567877464.db2.gz	WLHGDNVFXAFDGB-UHFFFAOYSA-N	1	2	284.362	5.000	50	5		CKBALO
c1ccc2c(c1)[nH+]c(NC1CCCCC1)c1ccccc21	ZINC000019312551	567877422	/nfs/dbraw/zinc/87/74/22/567877422.db2.gz	ORJJRRKYWIDTNW-UHFFFAOYSA-N	1	2	276.383	5.133	50	5		CKBALO
Cc1ccc(-c2c3ccccc3[nH+]c3ccccc32)cc1	ZINC000032106110	566891456	/nfs/dbraw/zinc/89/14/56/566891456.db2.gz	KORJZGKNZUDLII-UHFFFAOYSA-N	1	2	269.347	5.363	50	5		CKBALO