smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)Cc1cc(C(=O)c2ccc(OCC(=O)[O-])c(Cl)c2Cl)cc(CN(C)C)c1[O-]	ZINC000029344068	563101280	/nfs/dbraw/zinc/10/12/80/563101280.db2.gz	ACWBWLOSCQMAFC-UHFFFAOYSA-N	-2	3	455.338	3.517	1	10		JHCFHL
[O-]c1c(O)cc(Cc2c(Br)c([O-])c(O)cc2CO)c(Br)c1Br	ZINC000013379251	562962218	/nfs/dbraw/zinc/96/22/18/562962218.db2.gz	FZJSRHWEUVKMLN-UHFFFAOYSA-N	-2	3	498.949	3.880	1	10		JHCFHL
O=S(=O)([N-]c1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1)c1cc(F)cc(F)c1	ZINC000040943278	563159051	/nfs/dbraw/zinc/15/90/51/563159051.db2.gz	MJSRYMQCFZNUEW-UHFFFAOYSA-N	-2	3	460.430	3.845	1	10		JHCFHL
COc1cc(OC(=O)c2c(C)c(O)c([O-])cc2O)cc(C)c1C(=O)Oc1cc(C)c(C(=O)[O-])c(O)c1	ZINC000005812133	562935011	/nfs/dbraw/zinc/93/50/11/562935011.db2.gz	YFQVZURMMMPTAX-UHFFFAOYSA-N	-2	3	498.440	3.579	1	10		JHCFHL
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C2=NN[C@H](c3ccccc3[O-])C2)cc1	ZINC000005579440	562934275	/nfs/dbraw/zinc/93/42/75/562934275.db2.gz	JIXJWDBBFBNYDM-FQEVSTJZSA-N	-2	3	452.492	3.848	1	10		JHCFHL
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1cc(O)c([O-])c(O)c1	ZINC000043019478	563164873	/nfs/dbraw/zinc/16/48/73/563164873.db2.gz	KPFVIZCUVIRVRI-UHFFFAOYSA-N	-2	3	479.308	3.619	1	10		JHCFHL
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1)c1cc(O)c([O-])c(O)c1	ZINC000043019480	563164905	/nfs/dbraw/zinc/16/49/05/563164905.db2.gz	HVDNBLVCEAGNKG-UHFFFAOYSA-N	-2	3	479.308	3.619	1	10		JHCFHL
CN(C)c1ccc(/C=C(\c2nc3ccccc3s2)C(P(=O)([O-])[O-])P(=O)([O-])[O-])cc1	ZINC000040975903	563161975	/nfs/dbraw/zinc/16/19/75/563161975.db2.gz	YRSAUXBFMZOAKR-SDNWHVSQSA-N	-4	3	454.381	3.584	1	10		JHCFHL
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C2=NN[C@@H](c3ccccc3[O-])C2)cc1	ZINC000031905901	563109054	/nfs/dbraw/zinc/10/90/54/563109054.db2.gz	JIXJWDBBFBNYDM-HXUWFJFHSA-N	-2	3	452.492	3.848	1	10		JHCFHL
Cc1cc(=O)cc(-c2cc(O)c([O-])cc2-c2c([O-])cc(/C=C/c3ccc(O)c(O)c3)oc2=O)o1	ZINC000028861965	563083167	/nfs/dbraw/zinc/08/31/67/563083167.db2.gz	WJHRLIAIIVRKTD-DUXPYHPUSA-N	-2	3	462.410	3.934	1	10		JHCFHL
O=c1ccnc(Sc2cccc3c2C(=O)c2cccc(Sc4nccc(=O)[n-]4)c2C3=O)[n-]1	ZINC000013558875	562974475	/nfs/dbraw/zinc/97/44/75/562974475.db2.gz	NPOPKVNGXHJLBI-UHFFFAOYSA-N	-2	3	460.496	3.756	1	10		JHCFHL
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)c(O)c1	ZINC000043011061	563164066	/nfs/dbraw/zinc/16/40/66/563164066.db2.gz	HSRGVLUTAQAIBI-AWEZNQCLSA-N	-2	3	499.472	3.587	1	10		JHCFHL