smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1ccc(C(=O)[O-])cc1C(=O)[O-]	115951918	537970556	/nfs/dbraw/zinc/97/05/56/537970556.db2.gz	KWUNSVKWRPVSEE-UHFFFAOYSA-N	-2	0	194.186	1.645	20	0		ADADRL
CC(C(=O)[O-])(C(=O)[O-])C1CCCC1	143444176	566266406	/nfs/dbraw/zinc/26/64/06/566266406.db2.gz	IAGZDEGCKPKHBW-UHFFFAOYSA-N	-2	0	186.207	1.352	20	0		ADADRL
O=C([O-])Nc1ccc(C(=O)[O-])cc1O	833282474	583081793	/nfs/dbraw/zinc/08/17/93/583081793.db2.gz	BNPKKNVFOZOEBA-UHFFFAOYSA-N	-2	0	197.146	1.180	20	0		ADADRL
Cc1ccc([S-])cc1C(=O)[O-]	34550338	343121757	/nfs/dbraw/zinc/12/17/57/343121757.db2.gz	FJWXUOBINDAINN-UHFFFAOYSA-N	-2	0	168.217	1.982	20	0		ADADRL
Cc1c([S-])cccc1C(=O)[O-]	34567220	343122210	/nfs/dbraw/zinc/12/22/10/343122210.db2.gz	SLCSFMNQHPVVOH-UHFFFAOYSA-N	-2	0	168.217	1.982	20	0		ADADRL
CC(C)(C)C[C@H](CC(=O)[O-])C(=O)[O-]	225507689	166356471	/nfs/dbraw/zinc/35/64/71/166356471.db2.gz	XRSDVKXFCVCMKF-LURJTMIESA-N	-2	0	188.223	1.598	20	0	in-vitro	ADADRL
CC(C)(C)C[C@@H](CC(=O)[O-])C(=O)[O-]	225507650	166357481	/nfs/dbraw/zinc/35/74/81/166357481.db2.gz	XRSDVKXFCVCMKF-ZCFIWIBFSA-N	-2	0	188.223	1.598	20	0	in-vitro	ADADRL
CCCO[P@@](=O)([O-])CCC(=O)[O-]	97054272	167017242	/nfs/dbraw/zinc/01/72/42/167017242.db2.gz	VGTQZYZLIPKNOP-UHFFFAOYSA-N	-2	0	196.139	1.073	20	0		ADADRL
Cc1cccc(C(=O)[O-])c1[S-]	39254340	168863214	/nfs/dbraw/zinc/86/32/14/168863214.db2.gz	IKSLUORXVBMJFU-UHFFFAOYSA-N	-2	0	168.217	1.982	20	0	in-vitro	ADADRL
Nc1ccc(C(=O)[O-])c([S-])c1	31771101	169291312	/nfs/dbraw/zinc/29/13/12/169291312.db2.gz	QTXSDPJOPCWEME-UHFFFAOYSA-N	-2	0	169.205	1.256	20	0		ADADRL
O=C([O-])c1cc([S-])ccc1F	125087432	169356374	/nfs/dbraw/zinc/35/63/74/169356374.db2.gz	VDMTWWJCXRZJEC-UHFFFAOYSA-N	-2	0	172.180	1.813	20	0	in-vitro	ADADRL
O=C([O-])c1ccc([S-])cc1C(=O)[O-]	5427444	169358220	/nfs/dbraw/zinc/35/82/20/169358220.db2.gz	FZUUAPPKEJXGEN-UHFFFAOYSA-N	-3	0	198.199	1.372	20	0		ADADRL
O=C([O-])C(C(=O)[O-])[C@H]1C=CCCC1	39239997	171077490	/nfs/dbraw/zinc/07/74/90/171077490.db2.gz	LBRUHJWMRSLADF-LURJTMIESA-N	-2	0	184.191	1.128	20	0	in-vitro	ADADRL
O=C([O-])C(C(=O)[O-])[C@@H]1C=CCCC1	39239998	171077615	/nfs/dbraw/zinc/07/76/15/171077615.db2.gz	LBRUHJWMRSLADF-ZCFIWIBFSA-N	-2	0	184.191	1.128	20	0	in-vitro	ADADRL
COc1ccc(C(=O)[O-])c([S-])c1	34198656	343113215	/nfs/dbraw/zinc/11/32/15/343113215.db2.gz	HZTCEOITUGFBIS-UHFFFAOYSA-N	-2	0	184.216	1.682	20	0		ADADRL
Cc1ccc([S-])c(C(=O)[O-])c1	34581913	343122400	/nfs/dbraw/zinc/12/24/00/343122400.db2.gz	HIOOFBBNJCVVJZ-UHFFFAOYSA-N	-2	0	168.217	1.982	20	0		ADADRL
CCCCC(F)(C(=O)[O-])C(=O)[O-]	71621149	343557132	/nfs/dbraw/zinc/55/71/32/343557132.db2.gz	JRSYMZUVUTUQGH-UHFFFAOYSA-N	-2	0	178.159	1.054	20	0		ADADRL
O=C([O-])c1c(F)cccc1[S-]	78675647	343583904	/nfs/dbraw/zinc/58/39/04/343583904.db2.gz	MONQFOUDOJTJTH-UHFFFAOYSA-N	-2	0	172.180	1.813	20	0		ADADRL
COc1cccc(C(=O)[O-])c1[S-]	116318435	343769204	/nfs/dbraw/zinc/76/92/04/343769204.db2.gz	FTQMNOFVPBFDPF-UHFFFAOYSA-N	-2	0	184.216	1.682	20	0		ADADRL
O=P([O-])([O-])OCc1ccccc1	2391325	351307232	/nfs/dbraw/zinc/30/72/32/351307232.db2.gz	YTFJQDNGSQJFNA-UHFFFAOYSA-N	-2	0	188.119	1.296	20	0		ADADRL
CC(C)=CCCC(C(=O)[O-])C(=O)[O-]	238143314	351818500	/nfs/dbraw/zinc/81/85/00/351818500.db2.gz	JYXCQXHRONHXLJ-UHFFFAOYSA-N	-2	0	186.207	1.518	20	0		ADADRL
O=C([O-])Nc1cccc(C(=O)[O-])c1	740036217	600816498	/nfs/dbraw/zinc/81/64/98/600816498.db2.gz	KRQUUURMBSSXRK-UHFFFAOYSA-N	-2	0	181.147	1.475	20	0		ADADRL
O=C([O-])c1cc(Cl)c([O-])cc1F	108268283	573714383	/nfs/dbraw/zinc/71/43/83/573714383.db2.gz	ISGXYLFASMHVRF-UHFFFAOYSA-N	-2	0	190.557	1.883	20	0		ADADRL
CC[P@](=O)([O-])/C(C)=C/C(=O)[O-]	238323617	523633253	/nfs/dbraw/zinc/63/32/53/523633253.db2.gz	RZHSSINEDHNUGW-SNAWJCMRSA-N	-2	0	178.124	1.265	20	0		ADADRL