smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(-c2cc3cc(O)c(O)cc3oc2=O)ccc1O	ZINC000073167063	191288085	/nfs/dbraw/zinc/28/80/85/191288085.db2.gz	CLLMMMRKXJTLFW-UHFFFAOYSA-N	0	1	300.266	2.585	1	10		DFCFMN
Cc1nc2ccc(NC=C3C(=O)OC(C)(C)OC3=O)cc2s1	ZINC000049031257	183703255	/nfs/dbraw/zinc/70/32/55/183703255.db2.gz	MEPUIYQXZYYPPT-UHFFFAOYSA-N	0	1	318.354	2.737	1	10		DFCFMN
CC(=O)CCc1ccc2c(c1C)C(=O)c1cc(O)ccc1C2=O	ZINC000014490889	290907346	/nfs/dbraw/zinc/90/73/46/290907346.db2.gz	ZXMFLWCLJYELEM-UHFFFAOYSA-N	0	1	308.333	2.998	1	10	biogenic,in-vitro	DFCFMN
COc1cc2c(=O)cc(-c3ccc(O)c(O)c3)oc2cc1O	ZINC000040409869	183062729	/nfs/dbraw/zinc/06/27/29/183062729.db2.gz	STCLYCCAPYNAAW-UHFFFAOYSA-N	0	1	300.266	2.585	1	10		DFCFMN
O=C1NC(=NCc2ccco2)SC1=Cc1c[nH]c2ncccc12	ZINC000040943209	183150090	/nfs/dbraw/zinc/15/00/90/183150090.db2.gz	RSBPBMDZFOJWIH-QPEQYQDCSA-N	0	1	324.365	2.916	1	10		DFCFMN
Nc1ccc(Cc2ccc(NC(=O)CN3CCCC3)cc2)cc1	ZINC000066098865	184388891	/nfs/dbraw/zinc/38/88/91/184388891.db2.gz	BQKZTKBLCNECKW-UHFFFAOYSA-N	0	1	309.413	2.894	1	10		DFCFMN
CC1=NN(C(=O)CN2CCCC[C@H]2C)[C@@H](c2ccccc2O)C1	ZINC000195510322	201396919	/nfs/dbraw/zinc/39/69/19/201396919.db2.gz	UZDQLLPGHXIQRR-GDBMZVCRSA-N	0	1	315.417	2.916	1	10		DFCFMN
CCc1nc(N)nc(N)c1-c1ccc(Cl)c(NN=NC)c1	ZINC000001574818	180874443	/nfs/dbraw/zinc/87/44/43/180874443.db2.gz	BFJDBUGRSFNCKQ-UHFFFAOYSA-N	0	1	305.773	2.933	1	10		DFCFMN
COc1cc2oc(-c3ccc(O)c(O)c3)cc(O)c-2c(=O)c1C	ZINC000014761166	560225641	/nfs/dbraw/zinc/22/56/41/560225641.db2.gz	IEWYZZQKRHHVND-UHFFFAOYSA-N	0	1	314.293	2.894	1	10	biogenic,in-vitro	DFCFMN
CC1=NN(C(=O)CN2CCCC[C@@H]2C)[C@@H](c2ccccc2O)C1	ZINC000195510325	201397496	/nfs/dbraw/zinc/39/74/96/201397496.db2.gz	UZDQLLPGHXIQRR-GOEBONIOSA-N	0	1	315.417	2.916	1	10		DFCFMN