smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2cc([C@H](CCC(=O)[O-])[C@H](C(=O)[O-])C(C)C)ccc2c1	ZINC000068602171	563963307	/nfs/dbraw/zinc/96/33/07/563963307.db2.gz	KIZDISXSXGENQZ-PKOBYXMFSA-N	-2	0	344.407	4.154	10	0		EIAERL
COc1ccc2cc([C@@H](CCC(=O)[O-])[C@@H](C(=O)[O-])C(C)C)ccc2c1	ZINC000068602176	563963295	/nfs/dbraw/zinc/96/32/95/563963295.db2.gz	KIZDISXSXGENQZ-MJGOQNOKSA-N	-2	0	344.407	4.154	10	0		EIAERL
COc1ccc2cc([C@@H](CCC(=O)[O-])[C@H](C(=O)[O-])C(C)C)ccc2c1	ZINC000068602180	215320643	/nfs/dbraw/zinc/32/06/43/215320643.db2.gz	KIZDISXSXGENQZ-IEBWSBKVSA-N	-2	0	344.407	4.154	10	0		EIAERL
CC(C)(CCCCCC(=O)CCCCC(C)(C)C(=O)[O-])C(=O)[O-]	ZINC000028464661	212620107	/nfs/dbraw/zinc/62/01/07/212620107.db2.gz	NMIUGMLFTOGQAT-UHFFFAOYSA-N	-2	0	328.449	4.288	10	0		EIAERL
O=C([O-])Cc1ccccc1Nc1c(Cl)cc(C(=O)[O-])cc1Cl	ZINC000013558634	211578782	/nfs/dbraw/zinc/57/87/82/211578782.db2.gz	SRESXZLDYLHZGZ-UHFFFAOYSA-N	-2	0	340.162	4.062	10	0		EIAERL
C[C@@]1(C(=O)[O-])CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@H]4C(=O)[O-])CC[C@H]12	ZINC000040420429	213301544	/nfs/dbraw/zinc/30/15/44/213301544.db2.gz	HITLMPHPGUZLGI-FDBLAFQCSA-N	-2	0	334.456	4.185	10	0	biogenic,in-vitro	EIAERL
O=C([O-])CCCCCc1ccc(OCc2ccccc2C(=O)[O-])cc1	ZINC000039219675	213233295	/nfs/dbraw/zinc/23/32/95/213233295.db2.gz	IYAGXKKFTZCSQY-UHFFFAOYSA-N	-2	0	342.391	4.151	10	0		EIAERL
COc1ccc2cc([C@H](CCC(=O)[O-])[C@@H](C(=O)[O-])C(C)C)ccc2c1	ZINC000068602166	215321968	/nfs/dbraw/zinc/32/19/68/215321968.db2.gz	KIZDISXSXGENQZ-HKUYNNGSSA-N	-2	0	344.407	4.154	10	0		EIAERL