smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)o1)C(=O)[O-]	ZINC000630327327	396984625	/nfs/dbraw/zinc/98/46/25/396984625.db2.gz	ZFBQJEFGMWJBFH-MRVPVSSYSA-N	-2	1	316.335	0.337	10	30		DCEEML
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C(=O)OC)o1	ZINC000566723062	417052700	/nfs/dbraw/zinc/05/27/00/417052700.db2.gz	SXOQBAGWKNYGPK-QMMMGPOBSA-N	-2	1	317.319	0.764	10	30		DCEEML
CC#CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-]	ZINC000541931116	416618745	/nfs/dbraw/zinc/61/87/45/416618745.db2.gz	UIPVTSKIUWPIFI-ZETCQYMHSA-N	-2	1	318.332	0.801	10	30		DCEEML
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(C(=O)OC)co1	ZINC000556714547	331727076	/nfs/dbraw/zinc/72/70/76/331727076.db2.gz	INZNEVQUPFLXKT-SECBINFHSA-N	-2	1	317.319	0.764	10	30		DCEEML
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(C(=O)OC)co1	ZINC000556714548	416715531	/nfs/dbraw/zinc/71/55/31/416715531.db2.gz	INZNEVQUPFLXKT-VIFPVBQESA-N	-2	1	317.319	0.764	10	30		DCEEML
C=C(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)o1)C(=O)[O-]	ZINC000630327328	396984979	/nfs/dbraw/zinc/98/49/79/396984979.db2.gz	ZFBQJEFGMWJBFH-QMMMGPOBSA-N	-2	1	316.335	0.337	10	30		DCEEML
C=CC[C@H](CO)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000273615419	395933612	/nfs/dbraw/zinc/93/36/12/395933612.db2.gz	XBGFUPDWLAWXDM-MRVPVSSYSA-N	-2	1	304.306	0.411	10	30		DCEEML
CC#CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-]	ZINC000541931115	340990138	/nfs/dbraw/zinc/99/01/38/340990138.db2.gz	UIPVTSKIUWPIFI-SSDOTTSWSA-N	-2	1	318.332	0.801	10	30		DCEEML
C=CC[C@@H](CO)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000273615422	395933842	/nfs/dbraw/zinc/93/38/42/395933842.db2.gz	XBGFUPDWLAWXDM-QMMMGPOBSA-N	-2	1	304.306	0.411	10	30		DCEEML
Cc1cc(C(=O)NC2(C#N)CCCC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000174637419	301129215	/nfs/dbraw/zinc/12/92/15/301129215.db2.gz	PWQOGAFJNRAWAV-UHFFFAOYSA-N	-2	1	313.317	0.898	10	30		DCEEML
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C(=O)OC)o1	ZINC000566723061	341566370	/nfs/dbraw/zinc/56/63/70/341566370.db2.gz	SXOQBAGWKNYGPK-MRVPVSSYSA-N	-2	1	317.319	0.764	10	30		DCEEML