smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(NCc2cc(Cl)ccc2[O-])c1C	ZINC000019964313	567945264	/nfs/dbraw/zinc/94/52/64/567945264.db2.gz	LBRAVJDBGVASHY-UHFFFAOYSA-N	-1	3	261.752	4.275	40	10		CICBHM
[O-]c1c(C2=NN[C@H](c3cccs3)C2)ccc2ccccc21	ZINC000006584083	170215927	/nfs/dbraw/zinc/21/59/27/170215927.db2.gz	XNSWBQYSQAMHSO-HNNXBMFYSA-N	-1	3	294.379	4.046	40	10		CICBHM
CCn1c(-c2ccccc2)csc1=Nc1ccc([O-])cc1	ZINC000001466275	567837775	/nfs/dbraw/zinc/83/77/75/567837775.db2.gz	YNZARILPIGCNMM-UHFFFAOYSA-O	-1	3	297.403	4.172	40	10		CICBHM
CCc1ccccc1NCc1cc(Cl)ccc1[O-]	ZINC000019956700	567945081	/nfs/dbraw/zinc/94/50/81/567945081.db2.gz	TWDJMEUXWFVLDV-UHFFFAOYSA-N	-1	3	261.752	4.220	40	10		CICBHM
CC(=O)N(Cc1c([O-])ccc2ccccc21)C1CCCCC1	ZINC000001679490	567841478	/nfs/dbraw/zinc/84/14/78/567841478.db2.gz	DEWBRBKCRKZUPK-UHFFFAOYSA-N	-1	3	297.398	4.227	40	10		CICBHM
COc1ccc(NCc2c([O-])ccc3ccccc32)cc1	ZINC000001679484	566996788	/nfs/dbraw/zinc/99/67/88/566996788.db2.gz	IBZVGAKJSAZIAB-UHFFFAOYSA-N	-1	3	279.339	4.166	40	10	in-vitro	CICBHM
Cc1ccc(-c2ccccc2)n1-c1ccc([N+](=O)[O-])cc1[O-]	ZINC000408741186	567861048	/nfs/dbraw/zinc/86/10/48/567861048.db2.gz	HHQXNEVMQHEKDO-UHFFFAOYSA-N	-1	3	294.310	4.067	40	10		CICBHM
Cc1ccc(NCc2cc(Br)ccc2[O-])cc1	ZINC000006912445	170254982	/nfs/dbraw/zinc/25/49/82/170254982.db2.gz	BEBHKMBSPJHZCO-UHFFFAOYSA-N	-1	3	292.176	4.075	40	10		CICBHM
Cc1ccccc1NCc1cc(Br)ccc1[O-]	ZINC000006913029	170255089	/nfs/dbraw/zinc/25/50/89/170255089.db2.gz	BCPTYKOWMSKCGR-UHFFFAOYSA-N	-1	3	292.176	4.075	40	10		CICBHM
CC(C)(C)c1cc(C[N+](C)(C)[O-])c([O-])c(-c2ccccc2)c1	ZINC000001592046	567839043	/nfs/dbraw/zinc/83/90/43/567839043.db2.gz	LPMBMOLVAXZNDK-UHFFFAOYSA-N	-1	3	299.414	4.431	40	10		CICBHM
Cc1cccc(NCc2cc(Br)ccc2[O-])c1	ZINC000006912888	170254897	/nfs/dbraw/zinc/25/48/97/170254897.db2.gz	DICGLGMRLMALJS-UHFFFAOYSA-N	-1	3	292.176	4.075	40	10		CICBHM
[O-]c1c(C2=NN[C@@H](c3cccs3)C2)ccc2ccccc21	ZINC000005838560	170145586	/nfs/dbraw/zinc/14/55/86/170145586.db2.gz	XNSWBQYSQAMHSO-OAHLLOKOSA-N	-1	3	294.379	4.046	40	10		CICBHM
O=[N+]([O-])c1ccccc1NCc1c([O-])ccc2ccccc21	ZINC000004706168	170002512	/nfs/dbraw/zinc/00/25/12/170002512.db2.gz	VDOURRBYORUCJS-UHFFFAOYSA-N	-1	3	294.310	4.066	40	10		CICBHM