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(=O)C=C([O-])c1csc(Cc2ccccc2)c1	ZINC000027551660	581102284	/nfs/dbraw/zinc/10/22/84/581102284.db2.gz	UNYJQUQOXZDVQY-UHFFFAOYSA-N	-2	0	288.324	2.565	1	0		CFAFRL
O=P([O-])([O-])Oc1cccc(-c2ccccc2)c1	ZINC000096931998	185131931	/nfs/dbraw/zinc/13/19/31/185131931.db2.gz	NNEQNTSPBOJNEC-UHFFFAOYSA-N	-2	0	250.190	2.825	1	0		CFAFRL
O=C([O-])Cn1c(C(=O)[O-])cc2ccc3ccccc3c21	ZINC000058631253	527640603	/nfs/dbraw/zinc/64/06/03/527640603.db2.gz	AKGLRHRNGGDMDM-UHFFFAOYSA-N	-2	0	269.256	2.577	1	0	in-vitro	CFAFRL
O=C([O-])CCc1c2cc(Cl)ccc2[nH]c1C(=O)[O-]	ZINC000000013219	169506189	/nfs/dbraw/zinc/50/61/89/169506189.db2.gz	NUWJPVLEOLACPU-UHFFFAOYSA-N	-2	0	267.668	2.537	1	0		CFAFRL
O=C([O-])C(=O)C=C([O-])c1ccsc1Cc1ccccc1	ZINC000027555023	171521335	/nfs/dbraw/zinc/52/13/35/171521335.db2.gz	HTGWIZWPKBPISH-UHFFFAOYSA-N	-2	0	288.324	2.565	1	0		CFAFRL
O=C([O-])CN(C(=O)c1cccc(F)c1[S-])C1CCCC1	ZINC000026986065	171505274	/nfs/dbraw/zinc/50/52/74/171505274.db2.gz	QTGVIKLURZZGDG-UHFFFAOYSA-N	-2	0	297.351	2.584	1	0		CFAFRL
C[C@@H](SC(=S)[N-]c1cccc(F)c1)C(=O)[O-]	ZINC000006442674	170201857	/nfs/dbraw/zinc/20/18/57/170201857.db2.gz	YZVPUJSZOQRGAV-ZCFIWIBFSA-N	-2	0	259.327	2.729	1	0		CFAFRL
O=C([O-])c1ccc(-c2cc(=O)c3ccc([O-])cc3o2)cc1	ZINC000096914983	185128926	/nfs/dbraw/zinc/12/89/26/185128926.db2.gz	WCEDKYQLWVWXMR-UHFFFAOYSA-N	-2	0	282.251	2.864	1	0		CFAFRL
O=C([O-])CCSC(=S)[N-]c1cccc(F)c1	ZINC000006511661	170208376	/nfs/dbraw/zinc/20/83/76/170208376.db2.gz	PXCIQKJQAFWSDK-UHFFFAOYSA-N	-2	0	259.327	2.730	1	0		CFAFRL
O=P([O-])([O-])C(F)(F)c1ccc(Br)cc1	ZINC000049525635	527156424	/nfs/dbraw/zinc/15/64/24/527156424.db2.gz	SDSORXRDVBVOTA-UHFFFAOYSA-N	-2	0	286.996	2.676	1	0		CFAFRL
Cc1ccc([N-]C(=S)SCCC(=O)[O-])cc1	ZINC000006487067	170205519	/nfs/dbraw/zinc/20/55/19/170205519.db2.gz	JUEVYZYAFOGVTR-UHFFFAOYSA-N	-2	0	255.364	2.900	1	0		CFAFRL
O=C([O-])C(=O)C=C([O-])c1ccc(Cc2ccccc2)s1	ZINC000038151735	174134346	/nfs/dbraw/zinc/13/43/46/174134346.db2.gz	PHCFKAVFHIELCJ-UHFFFAOYSA-N	-2	0	288.324	2.565	1	0		CFAFRL
Cc1cccc(C(=O)N(CC(=O)[O-])C2CCCC2)c1[S-]	ZINC000026977867	171504983	/nfs/dbraw/zinc/50/49/83/171504983.db2.gz	HENWJMDWNWIQHK-UHFFFAOYSA-N	-2	0	293.388	2.753	1	0		CFAFRL
O=C([O-])c1cc2cc(-c3cccc(C(=O)[O-])c3)ccc2n1O	ZINC000073140997	176455218	/nfs/dbraw/zinc/45/52/18/176455218.db2.gz	LTNNZHPXDNYSNJ-UHFFFAOYSA-N	-2	0	297.266	2.942	1	0		CFAFRL
O=P([O-])([O-])Oc1cccc(Nc2ccccc2)c1	ZINC000096931993	185131801	/nfs/dbraw/zinc/13/18/01/185131801.db2.gz	YAHVCPPEVJLABR-UHFFFAOYSA-N	-2	0	265.205	2.902	1	0		CFAFRL
C[C@H](SC(=S)[N-]c1cccc(F)c1)C(=O)[O-]	ZINC000006425654	170200545	/nfs/dbraw/zinc/20/05/45/170200545.db2.gz	YZVPUJSZOQRGAV-LURJTMIESA-N	-2	0	259.327	2.729	1	0		CFAFRL
O=C([O-])c1cc(C(=O)[O-])c2ccc(Cl)c(Cl)c2n1	ZINC000026377626	171481112	/nfs/dbraw/zinc/48/11/12/171481112.db2.gz	BMTSMLLLURNHQR-UHFFFAOYSA-N	-2	0	286.070	2.938	1	0		CFAFRL
O=C([O-])C(=O)C=C([O-])c1ccc(-c2ccccc2Cl)o1	ZINC000028370174	171557257	/nfs/dbraw/zinc/55/72/57/171557257.db2.gz	GKIOHUBKQAKOEV-UHFFFAOYSA-N	-2	0	292.674	2.827	1	0		CFAFRL