smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Oc1cc(O)c(Oc2cccc(O)c2O)c(O)c1	ZINC000005890446	170150899	/nfs/dbraw/zinc/15/08/99/170150899.db2.gz	OENHXUYXLFGBFT-UHFFFAOYSA-N	0	2	250.206	2.007	1	10		CECFLN
CN1C(=O)C(N=Nc2ccc([N+](=O)[O-])cc2)SC1=S	ZINC000254043045	189995347	/nfs/dbraw/zinc/99/53/47/189995347.db2.gz	HHLAJTWCKSBJFA-MRVPVSSYSA-N	0	2	296.333	2.495	3	10		CECFLN
CC1C=C2C(=O)c3cc(O)cc(O)c3C(=O)C2=C(O)C1	ZINC000103541241	560052142	/nfs/dbraw/zinc/05/21/42/560052142.db2.gz	BFHDUHKLHNIRFV-UFBFGSQYSA-N	0	2	272.256	2.111	1	10	biogenic,in-vitro	CECFLN
O=c1c(-c2ccc(O)c(O)c2)coc2c(O)c(O)ccc12	ZINC000002585769	560124113	/nfs/dbraw/zinc/12/41/13/560124113.db2.gz	VMOBWBRUROXCOO-UHFFFAOYSA-N	0	2	286.239	2.282	1	10	endogenous,in-man	CECFLN
Cc1cc(C)c(C2C(=O)N3CCCCCN3C2=O)c(C)c1	ZINC000103272820	185824414	/nfs/dbraw/zinc/82/44/14/185824414.db2.gz	JGHZVVIDEOQIKB-UHFFFAOYSA-N	0	2	286.375	2.465	1	10		CECFLN
O=c1c(-c2ccc(O)cc2)coc2c(O)c(O)c(O)cc12	ZINC000014759297	290848484	/nfs/dbraw/zinc/84/84/84/290848484.db2.gz	CDRYROJFUGYDQH-UHFFFAOYSA-N	0	2	286.239	2.282	1	10	biogenic,in-vitro	CECFLN
Cc1cc(C)c([C@@H]2C(=O)N3CC[C@H](C)CN3C2=O)c(C)c1	ZINC000103274720	185824144	/nfs/dbraw/zinc/82/41/44/185824144.db2.gz	IAAFGLUZEBWQTQ-ZUZCIYMTSA-N	0	2	286.375	2.321	1	10		CECFLN
Cc1cc(C)c(C2C(=O)N3CC[C@H](C)CN3C2=O)c(C)c1	ZINC000103274720	185824145	/nfs/dbraw/zinc/82/41/45/185824145.db2.gz	IAAFGLUZEBWQTQ-ZUZCIYMTSA-N	0	2	286.375	2.321	1	10		CECFLN
CCOC(=O)c1sc(SC)c(C(=O)OC)c1O	ZINC000006403583	170198758	/nfs/dbraw/zinc/19/87/58/170198758.db2.gz	RTVSQGOOHJMFAS-UHFFFAOYSA-N	0	2	276.335	2.139	1	10		CECFLN
O=C([O-])CNc1c2ccccc2[n+](O)c2ccccc21	ZINC000005884199	170149741	/nfs/dbraw/zinc/14/97/41/170149741.db2.gz	VYFDJEJOCBBXMG-UHFFFAOYSA-N	0	2	268.272	2.123	1	10		CECFLN
COCc1cc2c(cc1O)C(=O)c1cc(O)ccc1C2=O	ZINC000013327870	560214450	/nfs/dbraw/zinc/21/44/50/560214450.db2.gz	BTNISWPIOSAYEQ-UHFFFAOYSA-N	0	2	284.267	2.020	1	10	biogenic,in-vitro	CECFLN
Cc1cc(C)c(C2C(=O)N3CC(C)(C)CN3C2=O)c(C)c1	ZINC000103274704	185824254	/nfs/dbraw/zinc/82/42/54/185824254.db2.gz	STTPRUGJJVKRFN-UHFFFAOYSA-N	0	2	286.375	2.321	1	10		CECFLN