smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1C2=C(O[C@@H](c3ccccc3)C2)c2ccccc2C1=O	ZINC000169328849	188658951	/nfs/dbraw/zinc/65/89/51/188658951.db2.gz	FWWUHHCGSZBPMS-OAHLLOKOSA-N	0	2	276.291	3.325	1	30		CGEFLN
O=C(/C=C/c1ccc(O)c(O)c1)c1cc2ccoc2cc1O	ZINC000103277205	185824419	/nfs/dbraw/zinc/82/44/19/185824419.db2.gz	SNMGTTXBAOGJMK-HNQUOIGGSA-N	0	2	296.278	3.446	1	30		CGEFLN
C#CCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1	ZINC000095605295	185015316	/nfs/dbraw/zinc/01/53/16/185015316.db2.gz	MAFTZLXVWCETJT-UHFFFAOYSA-N	0	2	292.290	3.178	1	30		CGEFLN
O/N=C/c1c(O)ccc(-c2ccc(O)c(F)c2)c1Cl	ZINC000071294751	176112149	/nfs/dbraw/zinc/11/21/49/176112149.db2.gz	CWBFECUIDZXHBY-OMCISZLKSA-N	0	2	281.670	3.365	1	30	in-vitro	CGEFLN
N#Cc1ccc(Nc2nccc(OC3CCCC3)n2)cc1	ZINC000073199324	176460633	/nfs/dbraw/zinc/46/06/33/176460633.db2.gz	MLLBLLGOYWPMND-UHFFFAOYSA-N	0	2	280.331	3.413	1	30		CGEFLN
O=C1c2ccccc2N=C1C1C(=O)c2ccccc2C1=O	ZINC000006529695	170210595	/nfs/dbraw/zinc/21/05/95/170210595.db2.gz	BAKONHLLIOUFIF-UHFFFAOYSA-N	0	2	275.263	3.121	1	30	aggregator	CGEFLN
Cc1cccc(N=NC2C(=O)Nc3ccccc3C2=O)c1	ZINC000096910613	185129272	/nfs/dbraw/zinc/12/92/72/185129272.db2.gz	MXGWVZLEAZTZFU-RGEXLXHISA-N	0	2	279.299	3.247	1	30		CGEFLN
C=C[C@]1(C)C[C@H](C)C[C@H](C)[C@H]1c1c(O)ccn(O)c1=O	ZINC000038816217	174156329	/nfs/dbraw/zinc/15/63/29/174156329.db2.gz	RUYMPIIPQAXOTF-PSHZPRKYSA-N	0	2	277.364	3.133	1	30		CGEFLN
C=CCc1c(O)cc2oc3ccc(OC)cc3c(=O)c2c1O	ZINC000095485919	560061997	/nfs/dbraw/zinc/06/19/97/560061997.db2.gz	FRBYDWUPZOHHTN-UHFFFAOYSA-N	0	2	298.294	3.095	1	30	biogenic,in-vitro	CGEFLN
C=CCc1c(O)c2c(O)c3cc(OC)ccc3oc-2cc1=O	ZINC000095485919	560061999	/nfs/dbraw/zinc/06/19/99/560061999.db2.gz	FRBYDWUPZOHHTN-UHFFFAOYSA-N	0	2	298.294	3.095	1	30	biogenic,in-vitro	CGEFLN
O=C1C2=C(O[C@@H](c3ccc(F)cc3)C2)c2ccccc2C1=O	ZINC000169328862	188658946	/nfs/dbraw/zinc/65/89/46/188658946.db2.gz	DMUSJTCWYXJPPO-OAHLLOKOSA-N	0	2	294.281	3.464	1	30		CGEFLN
C=CCc1c(=O)cc(O)c2c(O)c3cc(OC)ccc3oc1-2	ZINC000095485920	560061977	/nfs/dbraw/zinc/06/19/77/560061977.db2.gz	URMXTBOIJSCOGI-UHFFFAOYSA-N	0	2	298.294	3.095	1	30	biogenic,in-vitro	CGEFLN
C=C(C)[C@H](C)N(O)c1ccc(Br)c(C)n1	ZINC000073196856	176460847	/nfs/dbraw/zinc/46/08/47/176460847.db2.gz	NDPFJTOAVFHUPK-VIFPVBQESA-N	0	2	271.158	3.313	1	30		CGEFLN
Cc1cc(O)c(C(=O)/C=C/c2cccc(Cl)c2)c(=O)o1	ZINC000005296405	170083986	/nfs/dbraw/zinc/08/39/86/170083986.db2.gz	ATEAHNMIZFQBEQ-AATRIKPKSA-N	0	2	290.702	3.203	1	30		CGEFLN
COc1cc(/C=N/c2cccc(C)c2)c(O)c([N+](=O)[O-])c1	ZINC000004990843	170050712	/nfs/dbraw/zinc/05/07/12/170050712.db2.gz	GGHCMHWMFCUEDZ-CXUHLZMHSA-N	0	2	286.287	3.368	1	30		CGEFLN