smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(-c2cc3c(n2-c2ccc(O)c(C(=O)[O-])c2)CCCC3)cc1	ZINC000039194365	213231702	/nfs/dbraw/zinc/23/17/02/213231702.db2.gz	ACWOKNHONAJBEJ-UHFFFAOYSA-N	-1	0	347.414	4.735	1	10		EJCFRM
COc1ccc(-c2ccc(OCc3cc(C(=O)[O-])oc3C)cc2)cc1	ZINC000038821840	213226952	/nfs/dbraw/zinc/22/69/52/213226952.db2.gz	BRDLIFYQXFHZGL-UHFFFAOYSA-N	-1	0	338.359	4.541	1	10		EJCFRM
COc1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1C(=O)[O-]	ZINC000039194352	213231778	/nfs/dbraw/zinc/23/17/78/213231778.db2.gz	AXSYRXIXNOKWOJ-UHFFFAOYSA-N	-1	0	347.414	4.730	1	10		EJCFRM
O=[N+]([O-])c1c(Cl)cc([O-])c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	ZINC000036028889	213057223	/nfs/dbraw/zinc/05/72/23/213057223.db2.gz	IVWNHJKZDBXOMY-MKBNYLNASA-N	-1	0	342.782	4.780	2	10		EJCFRM
O=C([O-])c1cc(-n2c(-c3ccccc3)cc3c2CCCCC3)ccc1O	ZINC000039194384	213231365	/nfs/dbraw/zinc/23/13/65/213231365.db2.gz	ZQTLDQXJQYTZSQ-UHFFFAOYSA-N	-1	0	347.414	4.817	1	10		EJCFRM
C[C@H]1CCc2c(cc(-c3ccccc3)n2-c2ccc(O)c(C(=O)[O-])c2)C1	ZINC000039194392	213231287	/nfs/dbraw/zinc/23/12/87/213231287.db2.gz	LSISLFZIWWTXOY-AWEZNQCLSA-N	-1	0	347.414	4.673	1	10		EJCFRM
Cc1cc(Cl)cc2c1=NC(=O)C=2NNc1ccccc1C(=O)[O-]	ZINC000102377864	219198885	/nfs/dbraw/zinc/19/88/85/219198885.db2.gz	FLWAVNJZQRGLOG-VXPUYCOJSA-N	-1	0	329.743	4.949	1	10		EJCFRM
CCSC1=C(/C=C/C(=O)[O-])CCc2c1cc(C)n2-c1ccccc1	ZINC000028523540	202171940	/nfs/dbraw/zinc/17/19/40/202171940.db2.gz	NJSIGFQAZUETKH-ZRDIBKRKSA-N	-1	0	339.460	4.837	1	10		EJCFRM
Cc1cc(Cl)cc2c1=NC(=O)C=2NNc1ccccc1C(=O)[O-]	ZINC000006425055	210632506	/nfs/dbraw/zinc/63/25/06/210632506.db2.gz	FLWAVNJZQRGLOG-FMQUCBEESA-N	-1	0	329.743	4.949	1	10		EJCFRM
O=[N+]([O-])c1c(Cl)cc([O-])c2c1[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2	ZINC000019831023	202022678	/nfs/dbraw/zinc/02/26/78/202022678.db2.gz	IVWNHJKZDBXOMY-MQIPJXDCSA-N	-1	0	342.782	4.780	2	10		EJCFRM
CC1=C(CC(=O)[O-])c2cc(F)ccc2/C1=C\c1ccc(N(C)C)cc1	ZINC000038458947	213209105	/nfs/dbraw/zinc/20/91/05/213209105.db2.gz	FBWOSQAYAIWTAI-ZDLGFXPLSA-N	-1	0	337.394	4.694	1	10		EJCFRM
O=C([O-])c1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21	ZINC000169300656	226238250	/nfs/dbraw/zinc/23/82/50/226238250.db2.gz	DEPBWVRTJQCADN-KEYYUXOJSA-N	-1	0	325.795	4.865	1	10		EJCFRM
CCN(CCC(=O)[O-])c1ccc(/C=C/c2ccnc3ccccc23)cc1	ZINC000036382776	202324293	/nfs/dbraw/zinc/32/42/93/202324293.db2.gz	FHUPJDRUTXTIKH-JXMROGBWSA-N	-1	0	346.430	4.706	1	10		EJCFRM
CC(C)Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1Sc1ccccc1	ZINC000101872633	204025692	/nfs/dbraw/zinc/02/56/92/204025692.db2.gz	VAOYFDLMCMEBPP-GOSISDBHSA-N	-1	0	342.439	4.735	1	10		EJCFRM
O=[N+]([O-])c1c(Cl)cc([O-])c2c1[C@H]1C=CC[C@H]1[C@H](c1ccccc1)N2	ZINC000036028887	202312034	/nfs/dbraw/zinc/31/20/34/202312034.db2.gz	IVWNHJKZDBXOMY-OZVIIMIRSA-N	-1	0	342.782	4.780	2	10		EJCFRM
O=[N+]([O-])c1c(Cl)cc([O-])c2c1[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	ZINC000019831025	212073216	/nfs/dbraw/zinc/07/32/16/212073216.db2.gz	IVWNHJKZDBXOMY-HWWQOWPSSA-N	-1	0	342.782	4.780	2	10		EJCFRM
O=C([O-])c1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21	ZINC000169300653	226238390	/nfs/dbraw/zinc/23/83/90/226238390.db2.gz	DEPBWVRTJQCADN-CPUCHLNUSA-N	-1	0	325.795	4.865	1	10		EJCFRM