smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Oc1cc2c(c(Cl)c1O)CC[NH2+]C[C@H]2c1cc(Cl)c(O)c(Cl)c1	ZINC000027107184	204859554	/nfs/dbraw/zinc/85/95/54/204859554.db2.gz	LBUCGEYLJXJMTP-JTQLQIEISA-N	1	2	374.651	4.041	1	10		FICFLO
COc1ccc2[nH+]c3ccccc3c(NC(=S)NCc3ccco3)c2c1	ZINC000045287013	208330147	/nfs/dbraw/zinc/33/01/47/208330147.db2.gz	ZTCJNZHZQFGGLI-UHFFFAOYSA-N	1	2	363.442	4.476	1	10		FICFLO
CCC[N@@H+]1CCc2c3cc(CC)ccc3[nH]c2[C@H]1c1ccc(O)c(O)c1	ZINC000071294826	221340036	/nfs/dbraw/zinc/34/00/36/221340036.db2.gz	NWFSXZUZRXELBU-JOCHJYFZSA-N	1	2	350.462	4.499	1	10		FICFLO
CCC[N@H+]1CCc2c3cc(CC)ccc3[nH]c2[C@H]1c1ccc(O)c(O)c1	ZINC000071294826	221340037	/nfs/dbraw/zinc/34/00/37/221340037.db2.gz	NWFSXZUZRXELBU-JOCHJYFZSA-N	1	2	350.462	4.499	1	10		FICFLO
C[N@@H+]1CCCC[C@H]1c1c(=O)cc(O)c2c(O)cc(-c3ccccc3)oc1-2	ZINC000015114137	211123009	/nfs/dbraw/zinc/12/30/09/211123009.db2.gz	BBZGOLNDVQZCIH-AWEZNQCLSA-N	1	2	351.402	4.028	1	10	in-vitro	FICFLO
C[N@H+]1CCCC[C@H]1c1c(=O)cc(O)c2c(O)cc(-c3ccccc3)oc1-2	ZINC000015114137	211123012	/nfs/dbraw/zinc/12/30/12/211123012.db2.gz	BBZGOLNDVQZCIH-AWEZNQCLSA-N	1	2	351.402	4.028	1	10	in-vitro	FICFLO
C[N@@H+]1CCCC[C@H]1c1c(O)cc(=O)c2c(O)cc(-c3ccccc3)oc1-2	ZINC000015114137	211123015	/nfs/dbraw/zinc/12/30/15/211123015.db2.gz	BBZGOLNDVQZCIH-AWEZNQCLSA-N	1	2	351.402	4.028	1	10	in-vitro	FICFLO
C[N@H+]1CCCC[C@H]1c1c(O)cc(=O)c2c(O)cc(-c3ccccc3)oc1-2	ZINC000015114137	211123016	/nfs/dbraw/zinc/12/30/16/211123016.db2.gz	BBZGOLNDVQZCIH-AWEZNQCLSA-N	1	2	351.402	4.028	1	10	in-vitro	FICFLO
C[N@@H+]1CCCC[C@@H]1c1c(=O)cc(O)c2c(O)cc(-c3ccccc3)oc1-2	ZINC000015114135	210182324	/nfs/dbraw/zinc/18/23/24/210182324.db2.gz	BBZGOLNDVQZCIH-CQSZACIVSA-N	1	2	351.402	4.028	1	10	in-vitro	FICFLO
C[N@H+]1CCCC[C@@H]1c1c(=O)cc(O)c2c(O)cc(-c3ccccc3)oc1-2	ZINC000015114135	210182326	/nfs/dbraw/zinc/18/23/26/210182326.db2.gz	BBZGOLNDVQZCIH-CQSZACIVSA-N	1	2	351.402	4.028	1	10	in-vitro	FICFLO
C[N@@H+]1CCCC[C@@H]1c1c(O)cc(=O)c2c(O)cc(-c3ccccc3)oc1-2	ZINC000015114135	210182330	/nfs/dbraw/zinc/18/23/30/210182330.db2.gz	BBZGOLNDVQZCIH-CQSZACIVSA-N	1	2	351.402	4.028	1	10	in-vitro	FICFLO
Oc1ccccc1CN1CC[N@H+](Cc2ccccc2O)C1c1ccccc1	ZINC000019329285	210235581	/nfs/dbraw/zinc/23/55/81/210235581.db2.gz	WAYSQYILMUUVIY-UHFFFAOYSA-N	1	2	360.457	4.114	1	10		FICFLO
Oc1ccccc1CN1CC[N@@H+](Cc2ccccc2O)C1c1ccccc1	ZINC000019329285	210235585	/nfs/dbraw/zinc/23/55/85/210235585.db2.gz	WAYSQYILMUUVIY-UHFFFAOYSA-N	1	2	360.457	4.114	1	10		FICFLO
CCC[N@@H+]1CCc2c3cc(CC)ccc3[nH]c2[C@@H]1c1ccc(O)c(O)c1	ZINC000071294825	221340185	/nfs/dbraw/zinc/34/01/85/221340185.db2.gz	NWFSXZUZRXELBU-QFIPXVFZSA-N	1	2	350.462	4.499	1	10		FICFLO
CCC[N@H+]1CCc2c3cc(CC)ccc3[nH]c2[C@@H]1c1ccc(O)c(O)c1	ZINC000071294825	221340187	/nfs/dbraw/zinc/34/01/87/221340187.db2.gz	NWFSXZUZRXELBU-QFIPXVFZSA-N	1	2	350.462	4.499	1	10		FICFLO