smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCc1ccc(/N=N/c2ccc(C(=O)[O-])cc2)cc1	ZINC000004896186	170037342	/nfs/dbraw/zinc/03/73/42/170037342.db2.gz	XERHXXKNIWFLEX-ISLYRVAYSA-N	-1	0	268.316	4.753	40	10		CJCBRM
O=C([O-])c1ccccc1NN=C1C=CC(=O)c2ccccc21	ZINC000004954387	170045083	/nfs/dbraw/zinc/04/50/83/170045083.db2.gz	SXAUIPSOPPASFY-VHEBQXMUSA-N	-1	0	292.294	4.659	40	10	in-vivo	CJCBRM
Cc1ccc(C)c(N=Nc2c([O-])c3ccccc3oc2=O)c1	ZINC000006425912	170200337	/nfs/dbraw/zinc/20/03/37/170200337.db2.gz	DDIOSOQNRPFYAJ-VHEBQXMUSA-N	-1	0	294.310	4.531	40	10		CJCBRM
O=C1C=C([O-])C=CC1=NNc1ccc2ccccc2c1	ZINC000018044703	567876609	/nfs/dbraw/zinc/87/66/09/567876609.db2.gz	NALCMEBFZBQISH-ISLYRVAYSA-N	-1	0	264.284	4.666	40	10		CJCBRM
Cc1cccc(NCc2cc(Cl)cc(Cl)c2[O-])c1	ZINC000019877239	567944970	/nfs/dbraw/zinc/94/49/70/567944970.db2.gz	BVGOPISIXFVMSK-UHFFFAOYSA-N	-1	0	282.170	4.620	40	10		CJCBRM
Cc1ccc(NCc2cc(Cl)cc(Cl)c2[O-])cc1	ZINC000019964501	567945234	/nfs/dbraw/zinc/94/52/34/567945234.db2.gz	IXMDMCUYZFJMRC-UHFFFAOYSA-N	-1	0	282.170	4.620	40	10		CJCBRM
Cc1ccccc1NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000019965062	567945051	/nfs/dbraw/zinc/94/50/51/567945051.db2.gz	PEPUIGBXWOWVGQ-UHFFFAOYSA-N	-1	0	282.170	4.620	40	10		CJCBRM
CCc1ccccc1NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000019993225	567945211	/nfs/dbraw/zinc/94/52/11/567945211.db2.gz	OESPBBFTVYJHCQ-UHFFFAOYSA-N	-1	0	296.197	4.874	40	10		CJCBRM
Cc1ccc(C)c(NCc2cc(Cl)cc(Cl)c2[O-])c1	ZINC000020005385	570290485	/nfs/dbraw/zinc/29/04/85/570290485.db2.gz	WCTVSCQVCNJKJT-UHFFFAOYSA-N	-1	0	296.197	4.928	40	10		CJCBRM
Cc1ccc(NCc2cc(Cl)cc(Cl)c2[O-])c(C)c1	ZINC000020007836	570290503	/nfs/dbraw/zinc/29/05/03/570290503.db2.gz	GJAADCSNQIGUDP-UHFFFAOYSA-N	-1	0	296.197	4.928	40	10		CJCBRM
CCc1ccc(NCc2cc(Cl)cc(Cl)c2[O-])cc1	ZINC000021010052	171286448	/nfs/dbraw/zinc/28/64/48/171286448.db2.gz	QBYZQLGMAQNKJC-UHFFFAOYSA-N	-1	0	296.197	4.874	40	10		CJCBRM
Cc1ccc(NCc2cc(Cl)cc(Cl)c2[O-])cc1C	ZINC000021518353	171314583	/nfs/dbraw/zinc/31/45/83/171314583.db2.gz	DQUHAWXIIMJTMB-UHFFFAOYSA-N	-1	0	296.197	4.928	40	10		CJCBRM
O=C1C=C([O-])C=CC1=NNc1ccc2ccccc2c1	ZINC000104046344	567915748	/nfs/dbraw/zinc/91/57/48/567915748.db2.gz	NALCMEBFZBQISH-ZCXUNETKSA-N	-1	0	264.284	4.666	40	10		CJCBRM
O=C1C=C([O-])C=CC1=NNc1cc(Cl)ccc1Cl	ZINC000104252001	567916607	/nfs/dbraw/zinc/91/66/07/567916607.db2.gz	GKASMNGSPFYERF-NXVVXOECSA-N	-1	0	283.114	4.820	40	10		CJCBRM