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(COc1ccccc1)N[C@H](c1ccccc1Cl)c1cc([N+](=O)[O-])c2cccnc2c1O	ZINC000040404284	563139854	/nfs/dbraw/zinc/13/98/54/563139854.db2.gz	PZGYPDNJITYKKY-JOCHJYFZSA-N	0	2	463.877	4.787	1	10		JJCFLN
O=C(COc1ccccc1)N[C@@H](c1ccccc1Cl)c1cc([N+](=O)[O-])c2cccnc2c1O	ZINC000040404281	563139915	/nfs/dbraw/zinc/13/99/15/563139915.db2.gz	PZGYPDNJITYKKY-QFIPXVFZSA-N	0	2	463.877	4.787	1	10		JJCFLN
COc1ccc(S(=O)(=O)Nc2nc(-c3cc(C(F)(F)F)ccc3F)cs2)cc1OC	ZINC000013776382	562990906	/nfs/dbraw/zinc/99/09/06/562990906.db2.gz	HEONEOMFRWFNEL-UHFFFAOYSA-N	0	2	462.446	4.786	1	10		JJCFLN
C[NH+]1CCN(C(=O)c2ccc3c(c2)[nH+]c2ccccc2c3NCCc2c[nH]c3ccccc23)CC1	ZINC000028571320	563071029	/nfs/dbraw/zinc/07/10/29/563071029.db2.gz	HQNJABMDZQFZJM-UHFFFAOYSA-N	0	2	463.585	4.912	1	10		JJCFLN
O=C(Nc1ccc(F)c(F)c1)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc21	ZINC000028870678	563084199	/nfs/dbraw/zinc/08/41/99/563084199.db2.gz	PKEAWWKMYSOLJL-UHFFFAOYSA-N	0	2	480.905	4.676	1	10		JJCFLN
CCOc1ccc(Nc2ccc3nonc3c2S(=O)(=O)Nc2ccc(OCC)cc2)cc1	ZINC000045189426	563175186	/nfs/dbraw/zinc/17/51/86/563175186.db2.gz	FKYJGNNMVOHTBA-UHFFFAOYSA-N	0	2	454.508	4.565	1	10		JJCFLN
O=S(=O)(Nc1cc(Sc2nc[nH]n2)c(O)c2ccccc12)c1ccc(C(F)(F)F)cc1	ZINC000038488520	563134888	/nfs/dbraw/zinc/13/48/88/563134888.db2.gz	RQHQZLZCASMJHR-UHFFFAOYSA-N	0	2	466.466	4.634	1	10		JJCFLN
O=C1CCCC[C@@H]1Cc1c(Br)c(O)c(O)c(Br)c1Br	ZINC000014769554	563006383	/nfs/dbraw/zinc/00/63/83/563006383.db2.gz	LLMBLIAKCCQZSI-ZCFIWIBFSA-N	0	2	456.956	4.687	1	10		JJCFLN
O=C(Cn1c(C=C2C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc2ccccc21)Nc1ccccc1	ZINC000045339509	563191081	/nfs/dbraw/zinc/19/10/81/563191081.db2.gz	HANOXHIUEHZYHQ-JCMHNJIXSA-N	0	2	482.471	4.926	1	10		JJCFLN
O=C(Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn32)c1)C1=CC=CCC1=S	ZINC000028128162	563057137	/nfs/dbraw/zinc/05/71/37/563057137.db2.gz	JQEBKNDTHKOSGV-UHFFFAOYSA-N	0	2	456.552	4.884	1	10		JJCFLN
O=c1cc(-c2ccccc2Cl)oc2c(NS(=O)(=O)c3cccc4nsnc43)ccc(O)c12	ZINC000013661149	562982264	/nfs/dbraw/zinc/98/22/64/562982264.db2.gz	IMOFNLIYQXJCPT-UHFFFAOYSA-N	0	2	485.930	4.625	3	10		JJCFLN