smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccccc1[O-]	ZINC000100525353	358831899	/nfs/dbraw/zinc/83/18/99/358831899.db2.gz	QZBXQRRHJUNDSU-IIAYEXGSSA-N	-2	1	277.309	1.306	50	10		CDCAML
O=C([O-])COc1ccc(C=C2SC(=S)[N-]C2=O)cc1	ZINC000001581273	369620569	/nfs/dbraw/zinc/62/05/69/369620569.db2.gz	GZCBPDCRKATUQO-WEVVVXLNSA-N	-2	1	295.341	1.639	50	10		CDCAML
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1nnn[n-]1	ZINC000005417230	170096912	/nfs/dbraw/zinc/09/69/12/170096912.db2.gz	SLTPSINWAKAGQF-GHXNOFRVSA-N	-2	1	297.322	1.535	50	10		CDCAML
O=C([O-])COc1cccc(C=C2SC(=S)[N-]C2=O)c1	ZINC000002121651	367427484	/nfs/dbraw/zinc/42/74/84/367427484.db2.gz	MARSCECOJUOAER-WEVVVXLNSA-N	-2	1	295.341	1.639	50	10		CDCAML
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1nnn[n-]1	ZINC000104001828	397927742	/nfs/dbraw/zinc/92/77/42/397927742.db2.gz	SLTPSINWAKAGQF-KPKJPENVSA-N	-2	1	297.322	1.535	50	10		CDCAML
O=C([O-])c1cccc(C=C2SC(=S)[N-]C2=O)c1	ZINC000002989203	304255360	/nfs/dbraw/zinc/25/53/60/304255360.db2.gz	VIHXLEUMFMCVJP-VMPITWQZSA-N	-2	1	265.315	1.874	50	10		CDCAML
Cc1c2ccc([O-])c(O)c2oc(=O)c1CC(=O)[O-]	ZINC000004347943	356028509	/nfs/dbraw/zinc/02/85/09/356028509.db2.gz	QCYGFCYJOHAJMS-UHFFFAOYSA-N	-2	1	250.206	1.140	50	10	biogenic	CDCAML
Cc1c2cc(O)c([O-])cc2oc(=O)c1CC(=O)[O-]	ZINC000008764908	170354910	/nfs/dbraw/zinc/35/49/10/170354910.db2.gz	DKELHZLAKMOKAR-UHFFFAOYSA-N	-2	1	250.206	1.140	50	10	biogenic	CDCAML
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccccc1[O-]	ZINC000100525350	358831843	/nfs/dbraw/zinc/83/18/43/358831843.db2.gz	QZBXQRRHJUNDSU-MAEIDHKBSA-N	-2	1	277.309	1.306	50	10		CDCAML
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1nnn[n-]1	ZINC000101297097	375929795	/nfs/dbraw/zinc/92/97/95/375929795.db2.gz	VDRRHUMCFXXDIK-XFFZJAGNSA-N	-2	1	283.295	1.227	50	10		CDCAML
O=C1[N-]C(=S)NC(=O)/C1=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000019419585	356485019	/nfs/dbraw/zinc/48/50/19/356485019.db2.gz	JKDXBXPULYPDTB-UHFFFAOYSA-N	-2	1	293.260	1.055	50	10		CDCAML
O=C1[N-]C(=S)NC(=O)/C1=C\c1ccc([O-])c([N+](=O)[O-])c1	ZINC000019419585	356485022	/nfs/dbraw/zinc/48/50/22/356485022.db2.gz	JKDXBXPULYPDTB-UHFFFAOYSA-N	-2	1	293.260	1.055	50	10		CDCAML