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-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc3ccccc31)N2	ZINC000000975305	209696958	/nfs/dbraw/zinc/69/69/58/209696958.db2.gz	GXVKXTHXJJXWEO-KPLVRAHFSA-N	-1	0	341.410	5.365	10	10		EKCERM
Cc1c(CC(=O)[O-])cc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1	ZINC000003630644	210068515	/nfs/dbraw/zinc/06/85/15/210068515.db2.gz	XMZIJZRQONCISB-UHFFFAOYSA-N	-1	0	339.822	5.042	10	10		EKCERM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc31)N2	ZINC000004008077	210098704	/nfs/dbraw/zinc/09/87/04/210098704.db2.gz	GXVKXTHXJJXWEO-LRXVAGHRSA-N	-1	0	341.410	5.365	10	10		EKCERM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc31)N2	ZINC000004008079	210098800	/nfs/dbraw/zinc/09/88/00/210098800.db2.gz	GXVKXTHXJJXWEO-JLMWRMLUSA-N	-1	0	341.410	5.365	10	10		EKCERM
CC(C)c1cccc2c1N[C@@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@H]21	ZINC000004168324	210138086	/nfs/dbraw/zinc/13/80/86/210138086.db2.gz	DARCHSDNEVZDJJ-BJLQDIEVSA-N	-1	0	333.431	5.335	10	10		EKCERM
O=C([O-])c1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1cccc(F)c1)N2	ZINC000004223038	210147358	/nfs/dbraw/zinc/14/73/58/210147358.db2.gz	XIMHWDQOXFCVJX-AHIWAGSCSA-N	-1	0	343.785	5.004	10	10		EKCERM
O=C([O-])c1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@H](c1cccc(F)c1)N2	ZINC000004223040	210146540	/nfs/dbraw/zinc/14/65/40/210146540.db2.gz	XIMHWDQOXFCVJX-DCGLDWPTSA-N	-1	0	343.785	5.004	10	10		EKCERM
Cc1c(Cl)ccc2c1N[C@@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@H]21	ZINC000004690189	210249604	/nfs/dbraw/zinc/24/96/04/210249604.db2.gz	XYISEQVAWNYYNK-DOXZYTNZSA-N	-1	0	339.822	5.173	10	10		EKCERM
Cc1c(Cl)ccc2c1N[C@@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@H]21	ZINC000004690192	210248862	/nfs/dbraw/zinc/24/88/62/210248862.db2.gz	XYISEQVAWNYYNK-KHYOSLBOSA-N	-1	0	339.822	5.173	10	10		EKCERM
O=C([O-])c1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2	ZINC000004828566	210290875	/nfs/dbraw/zinc/29/08/75/210290875.db2.gz	XORRMCWMRYNNOM-RVPKQNPDSA-N	-1	0	343.785	5.004	10	10		EKCERM
O=C([O-])CCCc1sccc1N=Nc1c(O)ccc2ccccc21	ZINC000005171180	563999902	/nfs/dbraw/zinc/99/99/02/563999902.db2.gz	WEIJHIKGHDELEJ-FMQUCBEESA-N	-1	0	340.404	5.430	10	10		EKCERM
Cc1ccc(C(=O)[O-])c2c1N[C@@H](c1cccc(Cl)c1)[C@H]1CC=C[C@H]21	ZINC000006965764	201707884	/nfs/dbraw/zinc/70/78/84/201707884.db2.gz	LZPULCMYARCGBK-DOXZYTNZSA-N	-1	0	339.822	5.173	10	10		EKCERM
[O-]c1c(Cl)cc(Cl)cc1CNc1ccc(Cl)c(Cl)c1	ZINC000020018453	212093827	/nfs/dbraw/zinc/09/38/27/212093827.db2.gz	BBQKOZHMFRJQRE-UHFFFAOYSA-N	-1	0	337.033	5.618	10	10		EKCERM
[O-]c1c(Cl)cc(Cl)cc1CNc1ccc(Br)cc1	ZINC000020021835	202029398	/nfs/dbraw/zinc/02/93/98/202029398.db2.gz	ZIEYLGVSQCZRGE-UHFFFAOYSA-N	-1	0	347.039	5.074	10	10		EKCERM
[O-]c1c(Cl)cc(Cl)cc1CNc1ccc(Cl)cc1Cl	ZINC000020550938	212147042	/nfs/dbraw/zinc/14/70/42/212147042.db2.gz	UOGDKSSQDBCTTJ-UHFFFAOYSA-N	-1	0	337.033	5.618	10	10		EKCERM
[O-]c1c(Cl)cc(Cl)cc1CNc1ccccc1Br	ZINC000020557472	212146993	/nfs/dbraw/zinc/14/69/93/212146993.db2.gz	OYEKRBALKVXDMI-UHFFFAOYSA-N	-1	0	347.039	5.074	10	10		EKCERM
[O-]c1c(Cl)cc(Cl)cc1CNc1cc(Cl)ccc1Cl	ZINC000021024600	212200586	/nfs/dbraw/zinc/20/05/86/212200586.db2.gz	ACGSHAPLIFCJKG-UHFFFAOYSA-N	-1	0	337.033	5.618	10	10		EKCERM
O=C([O-])c1ccc(-n2c(-c3ccc(F)cc3)cc3c2CCCCC3)cc1	ZINC000021163592	212212337	/nfs/dbraw/zinc/21/23/37/212212337.db2.gz	CZEFDCVACOHRCP-UHFFFAOYSA-N	-1	0	349.405	5.251	10	10		EKCERM
Cc1ccc(-c2cc3c(n2-c2ccc(C(=O)[O-])cc2)CCCCC3)cc1	ZINC000021163596	212212685	/nfs/dbraw/zinc/21/26/85/212212685.db2.gz	MPKSKFKEZNUARX-UHFFFAOYSA-N	-1	0	345.442	5.420	10	10		EKCERM
Cc1ccccc1-c1cc2c(n1-c1ccc(C(=O)[O-])cc1)CCCC2	ZINC000049453772	214009152	/nfs/dbraw/zinc/00/91/52/214009152.db2.gz	DZKTYRWGEHFRCS-UHFFFAOYSA-N	-1	0	331.415	5.030	10	10		EKCERM
Cc1ccc(-c2cc3c(n2-c2ccc(C(=O)[O-])cc2)CCCC3)cc1	ZINC000049453774	214008837	/nfs/dbraw/zinc/00/88/37/214008837.db2.gz	RSLVTPGPLIAEEH-UHFFFAOYSA-N	-1	0	331.415	5.030	10	10		EKCERM
CCc1ccc(-c2cc3c(n2-c2ccc(C(=O)[O-])cc2)CCCC3)cc1	ZINC000049453775	202622351	/nfs/dbraw/zinc/62/23/51/202622351.db2.gz	RVGHCTAQIYKNOD-UHFFFAOYSA-N	-1	0	345.442	5.284	10	10		EKCERM
Cc1c(Cl)ccc2c1N[C@@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@@H]21	ZINC000059267111	214614978	/nfs/dbraw/zinc/61/49/78/214614978.db2.gz	XYISEQVAWNYYNK-VCBZYWHSSA-N	-1	0	339.822	5.173	10	10		EKCERM
CC(C)c1cccc2c1N[C@@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@@H]21	ZINC000059267189	214615025	/nfs/dbraw/zinc/61/50/25/214615025.db2.gz	DARCHSDNEVZDJJ-GGPKGHCWSA-N	-1	0	333.431	5.335	10	10		EKCERM