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(=C/c1ccc(C(=O)[O-])cc1)c1nc2ccccc2s1	ZINC000028605483	202172783	/nfs/dbraw/zinc/17/27/83/202172783.db2.gz	GFAHKYWZFLISEC-LCYFTJDESA-N	-2	0	339.372	4.010	50	0		EIAARL
Cc1ccc(C([O-])=C2CCCC(=C([O-])c3ccc(C)cc3)C2=O)cc1	ZINC000252571470	564053579	/nfs/dbraw/zinc/05/35/79/564053579.db2.gz	XXWTWUUZRHVHSH-RTBURBONSA-N	-2	0	334.415	4.354	50	0		EIAARL
[O-]c1c(Cl)cc(C([O-])(C(F)(F)F)C(F)(F)F)cc1Cl	ZINC000075245321	564086202	/nfs/dbraw/zinc/08/62/02/564086202.db2.gz	GNDUHMGWXSDQOT-UHFFFAOYSA-N	-2	0	329.023	4.011	50	0		EIAARL
O=C([O-])c1ccc(C(=C(Cl)Cl)c2ccc(C(=O)[O-])cc2)cc1	ZINC000003468176	563485372	/nfs/dbraw/zinc/48/53/72/563485372.db2.gz	ZALOEWQCZQDIJX-UHFFFAOYSA-N	-2	0	337.158	4.278	50	0		EIAARL
O=C([O-])CC[C@H]1CCCCCCCCC[C@@H](CCC(=O)[O-])C1=O	ZINC000004300818	210163383	/nfs/dbraw/zinc/16/33/83/210163383.db2.gz	YIRDCOUZKYBLJD-GASCZTMLSA-N	-2	0	326.433	4.042	50	0		EIAARL
O=C([O-])CC[C@H]1CCCCCCCCC[C@H](CCC(=O)[O-])C1=O	ZINC000004300820	210163441	/nfs/dbraw/zinc/16/34/41/210163441.db2.gz	YIRDCOUZKYBLJD-HUUCEWRRSA-N	-2	0	326.433	4.042	50	0		EIAARL
O=C([O-])c1cc(-c2ccccc2)nc([N-]c2nc3ccccc3s2)n1	ZINC000000317939	563991029	/nfs/dbraw/zinc/99/10/29/563991029.db2.gz	CSCCBPNUEAMTRJ-UHFFFAOYSA-N	-2	0	348.387	4.195	50	0		EIAARL
CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2C)cc1	ZINC000006502327	564091062	/nfs/dbraw/zinc/09/10/62/564091062.db2.gz	QBDFSLJIFSOPSE-GFCCVEGCSA-N	-2	0	347.436	4.008	50	0		EIAARL
O=C(C=C([O-])c1ccc(Cl)cc1)C=C([O-])c1ccc(Cl)cc1	ZINC000100099849	219091768	/nfs/dbraw/zinc/09/17/68/219091768.db2.gz	JVGXKNGROPICAX-UHFFFAOYSA-N	-2	0	335.186	4.408	50	0		EIAARL
CC(C)(C)c1cc(C(=O)[O-])c(CSc2ccccc2C(=O)[O-])o1	ZINC000004418459	210190485	/nfs/dbraw/zinc/19/04/85/210190485.db2.gz	JVAMTIBJUBEHSA-UHFFFAOYSA-N	-2	0	334.393	4.266	50	0		EIAARL
CC(C)(C)c1ccc(-c2c(C(=O)[O-])c(C(=O)[O-])c3n2CSC3)cc1	ZINC000004002225	210098590	/nfs/dbraw/zinc/09/85/90/210098590.db2.gz	CRYSLRRSVRPYHV-UHFFFAOYSA-N	-2	0	345.420	4.053	50	0		EIAARL
CC(C)(CCCCCC(O)CCCCCC(C)(C)C(=O)[O-])C(=O)[O-]	ZINC000003948738	210094351	/nfs/dbraw/zinc/09/43/51/210094351.db2.gz	HYHMLYSLQUKXKP-UHFFFAOYSA-N	-2	0	344.492	4.470	50	0	investigational	EIAARL
Cc1c(Cl)c(C)c([N+](=O)[O-])c([O-])c1/C=N/c1ccc(C(=O)[O-])cc1	ZINC000000226671	564014425	/nfs/dbraw/zinc/01/44/25/564014425.db2.gz	YWTJHQSOFVELCR-CNHKJKLMSA-N	-2	0	348.742	4.019	50	0		EIAARL
Cc1ccc(C([O-])=C2CCCC(=C([O-])c3ccc(C)cc3)C2=O)cc1	ZINC000252571468	564053598	/nfs/dbraw/zinc/05/35/98/564053598.db2.gz	XXWTWUUZRHVHSH-KDURUIRLSA-N	-2	0	334.415	4.354	50	0		EIAARL
O=C([O-])CC[C@@H]1CCCCCCCCC[C@@H](CCC(=O)[O-])C1=O	ZINC000004300819	210164012	/nfs/dbraw/zinc/16/40/12/210164012.db2.gz	YIRDCOUZKYBLJD-GJZGRUSLSA-N	-2	0	326.433	4.042	50	0		EIAARL
O=C([O-])C/C(=C/c1ccccc1C(=O)[O-])c1nc2ccccc2s1	ZINC000008515105	210959829	/nfs/dbraw/zinc/95/98/29/210959829.db2.gz	LCMLADLUXMRCDO-XFXZXTDPSA-N	-2	0	339.372	4.010	50	0		EIAARL
O=C([O-])c1cccc2cccc(S[C@@H](C(=O)[O-])c3ccccc3)c21	ZINC000005048017	210374233	/nfs/dbraw/zinc/37/42/33/210374233.db2.gz	QLPGTEJBJMAWBB-QGZVFWFLSA-N	-2	0	338.384	4.456	50	0		EIAARL
Cc1ccc(C([O-])=C2CCCC(=C([O-])c3ccc(C)cc3)C2=O)cc1	ZINC000252571469	564053586	/nfs/dbraw/zinc/05/35/86/564053586.db2.gz	XXWTWUUZRHVHSH-OALUTQOASA-N	-2	0	334.415	4.354	50	0		EIAARL
O=C([O-])c1cccc2cccc(S[C@H](C(=O)[O-])c3ccccc3)c21	ZINC000005048013	210374196	/nfs/dbraw/zinc/37/41/96/210374196.db2.gz	QLPGTEJBJMAWBB-KRWDZBQOSA-N	-2	0	338.384	4.456	50	0		EIAARL