smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1cc(S(=O)(=O)CC)c[n-]1	ZINC000217753454	170293384	/nfs/dbraw/zinc/29/33/84/170293384.db2.gz	CAYHZUDQTOVKHE-UHFFFAOYSA-N	-1	0	231.273	0.985	40	70		BCIBRM
CCOC(=O)c1cc(S(C)(=O)=O)c[n-]1	ZINC000217753371	170292738	/nfs/dbraw/zinc/29/27/38/170292738.db2.gz	YSKLKHYRTGBTSB-UHFFFAOYSA-N	-1	0	217.246	0.595	40	70		BCIBRM
Cn1c2c(nc1P(=O)([O-])[O-])CCCC2	ZINC000217696424	398323120	/nfs/dbraw/zinc/32/31/20/398323120.db2.gz	MQCQHFZAADIBJH-UHFFFAOYSA-N	-1	0	216.177	0.102	40	70		BCIBRM
O=P([O-])([O-])c1nc2c([nH]1)CCCCC2	ZINC000217696204	398323480	/nfs/dbraw/zinc/32/34/80/398323480.db2.gz	QUOZGLHQZDXEGY-UHFFFAOYSA-N	-1	0	216.177	0.482	40	70		BCIBRM
CCOC(=O)c1cc(C)n(C)c(=O)c1[O-]	ZINC000218314735	170291467	/nfs/dbraw/zinc/29/14/67/170291467.db2.gz	KWJGIUZOSCTWRS-UHFFFAOYSA-N	-1	0	211.217	0.576	40	70		BCIBRM
O=P([O-])([O-])c1nc2c([nH]1)CCCC2	ZINC000217696318	398323492	/nfs/dbraw/zinc/32/34/92/398323492.db2.gz	TVROAKULNYWSIH-UHFFFAOYSA-N	-1	0	202.150	0.092	40	70		BCIBRM
COC(=O)c1[n-]nc(C(F)F)c1C(=O)OC	ZINC000217780509	398323971	/nfs/dbraw/zinc/32/39/71/398323971.db2.gz	WSRYBFRSVJAWNE-UHFFFAOYSA-N	-1	0	234.158	0.921	40	70		BCIBRM
CN(C)C(=O)Cc1cnc(C(F)(F)F)[n-]c1=O	ZINC000217597850	172374987	/nfs/dbraw/zinc/37/49/87/172374987.db2.gz	PPCUPXJGEUQXNL-UHFFFAOYSA-N	-1	0	249.192	0.832	40	70		BCIBRM