smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCn1cc(C(=O)[O-])c(=O)c2c([O-])c(Cc3cccc(Cl)c3F)ccc21	ZINC000072107037	205302646	/nfs/dbraw/zinc/30/26/46/205302646.db2.gz	JBOQEZWINBEWGB-UHFFFAOYSA-N	-2	3	389.810	4.199	1	0		GIAFHL
O=S1(=O)[N-]C(=C([O-])c2ccc3ccccc3c2)Sc2cc(Cl)ccc21	ZINC000040873454	205074532	/nfs/dbraw/zinc/07/45/32/205074532.db2.gz	FARANSPYYSFHIT-SFHVURJKSA-N	-2	3	389.885	4.086	1	0		GIAFHL
CC[C@@H](O)c1cc(=O)oc2c(C(=O)CC(C)C)c([O-])c(CC=C(C)C)c([O-])c12	ZINC000014586039	291136863	/nfs/dbraw/zinc/13/68/63/291136863.db2.gz	WLTRJQPEAXRLHQ-OAHLLOKOSA-N	-2	3	388.460	4.385	1	0	biogenic,in-vitro	GIAFHL
COc1cc(-c2cc(=O)c3c([O-])c4c(cc3o2)OC(C)(C)C=C4)cc(OC)c1[O-]	ZINC000014448381	560221587	/nfs/dbraw/zinc/22/15/87/560221587.db2.gz	LJNMTAALHAPGLP-UHFFFAOYSA-N	-2	3	396.395	4.073	1	0	biogenic,in-vitro	GIAFHL
CC[C@H](C)C(=O)c1c([O-])c(CC=C(C)C)c([O-])c2c([C@@H](O)CC)cc(=O)oc12	ZINC000014586065	207025399	/nfs/dbraw/zinc/02/53/99/207025399.db2.gz	LVYGPLHUPURZDF-WFASDCNBSA-N	-2	3	388.460	4.385	1	0		GIAFHL
O=C(Nc1ccc2ccccc2c1)[C@@H](c1c[nH]c2ccccc21)P(=O)([O-])[O-]	ZINC000028604285	207344705	/nfs/dbraw/zinc/34/47/05/207344705.db2.gz	BTRJCBFYYHFVKD-LJQANCHMSA-N	-2	3	380.340	4.179	1	0		GIAFHL
CC[C@@H](C)C(=O)c1c([O-])c(CC=C(C)C)c([O-])c2c([C@H](O)CC)cc(=O)oc12	ZINC000014586066	291136865	/nfs/dbraw/zinc/13/68/65/291136865.db2.gz	LVYGPLHUPURZDF-IUODEOHRSA-N	-2	3	388.460	4.385	1	0	biogenic,in-vitro	GIAFHL
O=C([O-])c1ccc2c(c1)/C(=C/Cn1cnc3c1cccc3[O-])c1ccccc1CO2	ZINC000100641921	208378445	/nfs/dbraw/zinc/37/84/45/208378445.db2.gz	SYAGVTABUOXRSY-VCHYOVAHSA-N	-2	3	398.418	4.464	1	0		GIAFHL
[O-]C([O-])(c1nc2cc(Cl)c(Cl)cc2n1Cc1ccccc1)C(F)(F)F	ZINC000028817559	207347496	/nfs/dbraw/zinc/34/74/96/207347496.db2.gz	JUVZSIQOWXKOEO-UHFFFAOYSA-N	-2	3	391.176	4.091	1	0		GIAFHL
CC(C)=CCC/C(C)=C/CC/C(C)=C\CC(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000029123584	207356484	/nfs/dbraw/zinc/35/64/84/207356484.db2.gz	QBAOBDKNTDWTHR-PVMFERMNSA-N	-4	3	380.358	4.477	1	0		GIAFHL
O=C([O-])c1cn(Cc2ccc(-c3ccccc3)cc2)c2c(F)ccc([O-])c2c1=O	ZINC000096906840	211351541	/nfs/dbraw/zinc/35/15/41/211351541.db2.gz	HVMSSXOSTCXBHS-UHFFFAOYSA-N	-2	3	389.382	4.260	1	0		GIAFHL
COc1ccc(-c2cc(=O)c3c([O-])cc([O-])c(-c4ccccc4O)c3o2)cc1	ZINC000095910572	291138598	/nfs/dbraw/zinc/13/85/98/291138598.db2.gz	GGLAWSVYWPOFNO-UHFFFAOYSA-N	-2	3	376.364	4.252	1	0	biogenic,in-vitro	GIAFHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2C(=O)[O-])cc1	ZINC000095921138	211284535	/nfs/dbraw/zinc/28/45/35/211284535.db2.gz	KFQWZEYUSVKRBI-UHFFFAOYSA-N	-2	3	383.425	4.286	1	0	in-vitro	GIAFHL
COC[P@](=O)([O-])[C@@H](CCCc1ccc(-c2ccccc2)cc1)P(=O)([O-])[O-]	ZINC000013742100	210087515	/nfs/dbraw/zinc/08/75/15/210087515.db2.gz	NZPUAFQASWYNAS-GOSISDBHSA-N	-3	3	398.332	4.054	1	0		GIAFHL
O=C([O-])[C@H](CCc1ccccc1)c1ccc2c(c1[O-])C(=O)c1c(O)cccc1C2	ZINC000013606161	210072216	/nfs/dbraw/zinc/07/22/16/210072216.db2.gz	UZOBICOUXZOJEI-GOSISDBHSA-N	-2	3	388.419	4.034	1	0		GIAFHL
COc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(C)c(O)c1CC=C(C)C	ZINC000095914470	291137320	/nfs/dbraw/zinc/13/73/20/291137320.db2.gz	RUZILUVYYREOBK-UHFFFAOYSA-N	-2	3	382.412	4.403	1	0	biogenic,in-vitro	GIAFHL
COc1cc(OC)c(-c2oc3cc([O-])cc([O-])c3c(=O)c2CC=C(C)C)cc1O	ZINC000014648310	291138124	/nfs/dbraw/zinc/13/81/24/291138124.db2.gz	BSOHKHJORVDTBW-UHFFFAOYSA-N	-2	3	398.411	4.103	1	0	biogenic,in-vitro	GIAFHL
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000001534685	212249400	/nfs/dbraw/zinc/24/94/00/212249400.db2.gz	QBAOBDKNTDWTHR-YFVJMOTDSA-N	-4	3	380.358	4.477	1	0	in-vitro	GIAFHL
CC(C)=CCC[C@]1(C)Oc2c(c([O-])cc([O-])c2C(=O)c2ccccc2)C[C@@H]1O	ZINC000013403662	212117381	/nfs/dbraw/zinc/11/73/81/212117381.db2.gz	FVSFDNITEZDVAF-CVDCTZTESA-N	-2	3	382.456	4.130	1	0		GIAFHL
CC(C)n1cc(C(=O)[O-])c(=O)c2c([O-])c(Cc3cccc(Cl)c3F)ccc21	ZINC000072106625	222205718	/nfs/dbraw/zinc/20/57/18/222205718.db2.gz	QUXCPHQQUMZNEX-UHFFFAOYSA-N	-2	3	389.810	4.370	1	0		GIAFHL
CC[C@@H](C)C(=O)c1c([O-])c(CC=C(C)C)c([O-])c2c([C@@H](O)CC)cc(=O)oc12	ZINC000014586063	212117599	/nfs/dbraw/zinc/11/75/99/212117599.db2.gz	LVYGPLHUPURZDF-DOMZBBRYSA-N	-2	3	388.460	4.385	1	0		GIAFHL
COc1c([C@@H](O)CC(C)C)ccc(Oc2c([O-])cc(C)cc2C=O)c1C(=O)[O-]	ZINC000014721421	212117115	/nfs/dbraw/zinc/11/71/15/212117115.db2.gz	BMVVUSNXBMJARY-HNNXBMFYSA-N	-2	3	388.416	4.092	1	0		GIAFHL
O=c1[n-]c(-c2ccc(C(F)(F)F)c(Cl)c2)nn1-c1cc(Cl)ccc1[O-]	ZINC000013587050	221276023	/nfs/dbraw/zinc/27/60/23/221276023.db2.gz	LPLFGQAKNUMAQT-UHFFFAOYSA-N	-2	3	390.148	4.259	1	0		GIAFHL
O=C([O-])[C@@H](CCc1ccccc1)c1ccc2c(c1[O-])C(=O)c1c(O)cccc1C2	ZINC000013606159	221277240	/nfs/dbraw/zinc/27/72/40/221277240.db2.gz	UZOBICOUXZOJEI-SFHVURJKSA-N	-2	3	388.419	4.034	1	0		GIAFHL
COc1c([C@H](O)CC(C)C)ccc(Oc2c([O-])cc(C)cc2C=O)c1C(=O)[O-]	ZINC000014721423	221315016	/nfs/dbraw/zinc/31/50/16/221315016.db2.gz	BMVVUSNXBMJARY-OAHLLOKOSA-N	-2	3	388.416	4.092	1	0		GIAFHL
O=c1cc(-c2ccc(OCc3ccc(Cl)nc3)cc2)oc2cc([O-])cc([O-])c12	ZINC000053298508	222009283	/nfs/dbraw/zinc/00/92/83/222009283.db2.gz	XUEQPCVMPXPGHK-UHFFFAOYSA-N	-2	3	395.798	4.499	1	0		GIAFHL