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([O-])NCc1nnnn1CC(=O)N[N-]C(=O)c1cccs1	ZINC000832737922	605180229	/nfs/dbraw/zinc/18/02/29/605180229.db2.gz	DOKRNQCLFDCNNB-UHFFFAOYSA-N	-2	1	325.310	-1.037	20	50		EAGDML
COC(=O)c1ccc(S(=O)(=O)[N-][N-]C(=O)CNC(=O)[O-])cn1	ZINC000833880955	605391295	/nfs/dbraw/zinc/39/12/95/605391295.db2.gz	PCLGOJJNGDUOBM-UHFFFAOYSA-N	-3	1	332.294	-1.555	20	50		EAGDML
Cc1cc(C(=O)[N-]NC(=O)CNC(=O)[C@@H](NC(=O)[O-])C(C)C)n[nH]1	ZINC000833897466	605500963	/nfs/dbraw/zinc/50/09/63/605500963.db2.gz	AYNGLYOKVRHASX-JTQLQIEISA-N	-2	1	340.340	-1.112	20	50		EAGDML
Cc1cc(C(=O)[N-]NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)[O-])n[nH]1	ZINC000833897743	605444650	/nfs/dbraw/zinc/44/46/50/605444650.db2.gz	FLVWAAOIMAMBRR-SSDOTTSWSA-N	-2	1	347.353	-1.450	20	50		EAGDML
Cc1cc(C(=O)[N-]NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)[O-])n[nH]1	ZINC000833897744	605444860	/nfs/dbraw/zinc/44/48/60/605444860.db2.gz	FLVWAAOIMAMBRR-ZETCQYMHSA-N	-2	1	347.353	-1.450	20	50		EAGDML
Cn1c(=O)oc2cc(S(=O)(=O)[N-][N-]C(=O)CNC(=O)[O-])ccc21	ZINC000833940289	605390904	/nfs/dbraw/zinc/39/09/04/605390904.db2.gz	KRQLVOAHXQFJHQ-UHFFFAOYSA-N	-3	1	344.305	-1.291	20	50		EAGDML
O=C([O-])NCC(=O)[N-][N-]S(=O)(=O)c1ccc2c(c1)C(=O)OC2	ZINC000834203860	605392987	/nfs/dbraw/zinc/39/29/87/605392987.db2.gz	IANUGSTZZWGXAI-UHFFFAOYSA-N	-3	1	329.290	-1.066	20	50		EAGDML
O=C([O-])NCC(=O)[N-][N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2	ZINC000834203869	605392341	/nfs/dbraw/zinc/39/23/41/605392341.db2.gz	ILKTZSHUDHWJAA-UHFFFAOYSA-N	-3	1	344.305	-1.405	20	50		EAGDML
O=C([O-])NCC(=O)[N-][N-]S(=O)(=O)c1cccc2c1COC2=O	ZINC000834203914	605394019	/nfs/dbraw/zinc/39/40/19/605394019.db2.gz	LPFLUNLNLBVXKK-UHFFFAOYSA-N	-3	1	329.290	-1.066	20	50		EAGDML
O=C([O-])NCC(=O)[N-][N-]S(=O)(=O)c1ccc2c(c1)C(=O)NC2=O	ZINC000834204104	605395582	/nfs/dbraw/zinc/39/55/82/605395582.db2.gz	ZKOYTGBPVOJAED-UHFFFAOYSA-N	-3	1	342.289	-1.853	20	50		EAGDML
O=C([O-])NCCCC(=O)NNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC000834230809	605979804	/nfs/dbraw/zinc/97/98/04/605979804.db2.gz	IJDACWFQBADZEV-UHFFFAOYSA-N	-2	1	327.297	-1.878	20	50		EAGDML