smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CO)C(O)=C(O)[C@@H](O)CO	111461421	571862115	/nfs/dbraw/zinc/86/21/15/571862115.db2.gz	ZJLNMPGCXVVXDR-WVZVXSGGSA-N	0	2	178.140	-3.169	10	10		AACELN
O=C(CO)C(O)=C(O)[C@H](O)CO	111461420	571862545	/nfs/dbraw/zinc/86/25/45/571862545.db2.gz	ZJLNMPGCXVVXDR-WUJLRWPWSA-N	0	2	178.140	-3.169	10	10		AACELN
O=C(CO)C(O)=C(O)[C@@H](O)CO	111461418	571864831	/nfs/dbraw/zinc/86/48/31/571864831.db2.gz	ZJLNMPGCXVVXDR-UCORVYFPSA-N	0	2	178.140	-3.169	10	10		AACELN
O=c1cc(O)n(-c2nn[nH]n2)[nH]1	222843215	573178862	/nfs/dbraw/zinc/17/88/62/573178862.db2.gz	SKQGGMAFKLIERD-UHFFFAOYSA-N	0	2	168.116	-2.032	10	10		AACELN
O=C(CO)C(O)=C(O)[C@H](O)CO	100124170	169320993	/nfs/dbraw/zinc/32/09/93/169320993.db2.gz	ZJLNMPGCXVVXDR-NQXXGFSBSA-N	0	2	178.140	-3.169	10	10		AACELN
O=C1CC(O)=C1O	98083550	169380772	/nfs/dbraw/zinc/38/07/72/169380772.db2.gz	YNWBKXOSXCJJBO-UWTATZPHSA-N	0	2	100.073	-1.111	10	10		AACELN
O=C1CC(O)=C1O	103159239	169382433	/nfs/dbraw/zinc/38/24/33/169382433.db2.gz	YNWBKXOSXCJJBO-REOHCLBHSA-N	0	2	100.073	-1.111	10	10		AACELN
CNC(=O)C=S(=O)=O	100446090	343716981	/nfs/dbraw/zinc/71/69/81/343716981.db2.gz	BZVRWDSWPQIDHI-UHFFFAOYSA-N	0	2	135.144	-1.586	10	10		AACELN
O=C1NNC(=O)C1F	107323539	573509138	/nfs/dbraw/zinc/50/91/38/573509138.db2.gz	DLLCGLRBUPXHON-UHFFFAOYSA-N	0	2	118.067	-1.515	10	10		AACELN
NC(=O)c1sc(=S)[nH]c1O	215382212	573795541	/nfs/dbraw/zinc/79/55/41/573795541.db2.gz	NNCXQGZPBYOJFY-SFOWXEAESA-N	0	2	176.222	-1.012	10	10		AACELN
NC(=O)c1sc(=S)[nH]c1O	215382171	573793689	/nfs/dbraw/zinc/79/36/89/573793689.db2.gz	NNCXQGZPBYOJFY-PVQJCKRUSA-N	0	2	176.222	-1.012	10	10		AACELN