smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])/C(=C/c1c(C(=O)[O-])[nH]c2cc(Cl)cc(Cl)c21)c1ccccc1	ZINC000001540415	203913091	/nfs/dbraw/zinc/91/30/91/203913091.db2.gz	LPWVUDLZUVBQGP-DHZHZOJOSA-N	-2	0	376.195	4.798	40	0	in-vivo	GJABRL
O=C([O-])C[C@H](SC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-]	ZINC000016931445	570935257	/nfs/dbraw/zinc/93/52/57/570935257.db2.gz	CFLMKRQPILKQFA-FQEVSTJZSA-N	-2	0	392.476	4.640	40	0		GJABRL
O=C([O-])c1cc2c(cc1C[C@H](Cc1ccc3c(c1)CCCC3)C(=O)[O-])CCCC2	ZINC000006513392	204181132	/nfs/dbraw/zinc/18/11/32/204181132.db2.gz	YZRMWLUFTMMXJC-QFIPXVFZSA-N	-2	0	392.495	4.628	40	0		GJABRL
O=C([O-])c1cc2c(cc1C[C@@H](Cc1ccc3c(c1)CCCC3)C(=O)[O-])CCCC2	ZINC000005537755	204139212	/nfs/dbraw/zinc/13/92/12/204139212.db2.gz	YZRMWLUFTMMXJC-JOCHJYFZSA-N	-2	0	392.495	4.628	40	0		GJABRL
CC1(C)C[C@@]2(c3ccccc3)C[C@@H](c3ccccc3)[C@@H]1[C@H](C(=O)[O-])[C@@H]2C(=O)[O-]	ZINC000005743105	570454508	/nfs/dbraw/zinc/45/45/08/570454508.db2.gz	WAFGKPZUKLMZJF-IYXACIGFSA-N	-2	0	378.468	4.560	40	0		GJABRL
O=C([O-])/C(=C/c1cc(Cl)cc(Cl)c1[O-])Sc1nc2ccccc2[nH]1	ZINC000007342820	570422780	/nfs/dbraw/zinc/42/27/80/570422780.db2.gz	VGRLOPJIUYPCOZ-MLPAPPSSSA-N	-2	0	381.240	4.793	40	0		GJABRL
O=C([O-])[C@H]1[C@@H](C(=O)[O-])[C@H]2c3ccc4ccccc4c3[C@@H]1c1ccc3ccccc3c12	ZINC000006118291	570738568	/nfs/dbraw/zinc/73/85/68/570738568.db2.gz	LBRBVSQTXLMADP-NEWJYFPISA-N	-2	0	394.426	4.985	40	0		GJABRL
CCCOc1ccc(C(=O)[O-])cc1Sc1cc(C(=O)[O-])ccc1OCCC	ZINC000005431822	220868489	/nfs/dbraw/zinc/86/84/89/220868489.db2.gz	QMQJHPWNFFAKKK-UHFFFAOYSA-N	-2	0	390.457	4.812	40	0		GJABRL
O=C([O-])C[C@@H](SC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-]	ZINC000005119212	570429824	/nfs/dbraw/zinc/42/98/24/570429824.db2.gz	CFLMKRQPILKQFA-HXUWFJFHSA-N	-2	0	392.476	4.640	40	0		GJABRL
CC1(C)C[C@@]2(c3ccccc3)C[C@H](c3ccccc3)[C@@H]1[C@H](C(=O)[O-])[C@@H]2C(=O)[O-]	ZINC000005743104	570454714	/nfs/dbraw/zinc/45/47/14/570454714.db2.gz	WAFGKPZUKLMZJF-YBZAYSDLSA-N	-2	0	378.468	4.560	40	0		GJABRL
O=C([O-])[C@@H]1[C@@H]2c3ccc4ccccc4c3[C@@H](c3ccc4ccccc4c32)[C@@H]1C(=O)[O-]	ZINC000006118300	570738486	/nfs/dbraw/zinc/73/84/86/570738486.db2.gz	LBRBVSQTXLMADP-YCAMKHIRSA-N	-2	0	394.426	4.985	40	0		GJABRL
N=C1SC(=Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)C([O-])=C1c1nccs1	ZINC000136959560	570498164	/nfs/dbraw/zinc/49/81/64/570498164.db2.gz	QUEKEHPZOVULRU-AOXLQZBSSA-N	-2	0	396.449	4.519	40	0		GJABRL
O=C([O-])c1c(C[C@@H](Cc2ccc3c(c2)CCCC3)C(=O)[O-])ccc2c1CCCC2	ZINC000005537760	570444587	/nfs/dbraw/zinc/44/45/87/570444587.db2.gz	AARDSHRCKCKLNM-OAQYLSRUSA-N	-2	0	392.495	4.628	40	0		GJABRL
O=C([O-])c1c(C[C@H](Cc2ccc3c(c2)CCCC3)C(=O)[O-])ccc2c1CCCC2	ZINC000006513394	570482236	/nfs/dbraw/zinc/48/22/36/570482236.db2.gz	AARDSHRCKCKLNM-NRFANRHFSA-N	-2	0	392.495	4.628	40	0		GJABRL