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-])[C@H](NC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)[C@H]1CCCOC1	ZINC000432103158	939174005	/nfs/dbraw/zinc/17/40/05/939174005.db2.gz	PIUNLNDUIHLMMQ-KBXCAEBGSA-N	-2	0	438.527	2.087	20	0		IEADRL
COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@]2(C(=O)[O-])CCSC2)cc1	ZINC000537411252	939270922	/nfs/dbraw/zinc/27/09/22/939270922.db2.gz	KYAFKCGNPUJTAB-LJQANCHMSA-N	-2	0	436.511	2.186	20	0		IEADRL
O=C([O-])[C@H](NC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)[C@@H]1CCCOC1	ZINC000432103161	939173964	/nfs/dbraw/zinc/17/39/64/939173964.db2.gz	PIUNLNDUIHLMMQ-RDTXWAMCSA-N	-2	0	438.527	2.087	20	0		IEADRL
O=C([O-])[C@@]1(NC(=O)Nc2cccc(S(=O)(=O)[N-]c3nccs3)c2)CCSC1	ZINC000565400736	939348399	/nfs/dbraw/zinc/34/83/99/939348399.db2.gz	NUQXKRQAJWJXKF-OAHLLOKOSA-N	-2	0	428.517	2.026	20	0		IEADRL
O=C([O-])[C@]1(NC(=O)Cc2ccc([N-]S(=O)(=O)c3cccs3)cc2)CCSC1	ZINC000537413979	939272060	/nfs/dbraw/zinc/27/20/60/939272060.db2.gz	YMLLLEYFSIXYSO-KRWDZBQOSA-N	-2	0	426.541	2.168	20	0		IEADRL
CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@]3(C(=O)[O-])CCOC3)ccc2OC)cc1	ZINC000539616084	939287599	/nfs/dbraw/zinc/28/75/99/939287599.db2.gz	ONHYEXFWKXDAID-OAQYLSRUSA-N	-2	0	448.497	2.032	20	0		IEADRL
O=C([O-])[C@]1(NC(=O)Nc2cccc(S(=O)(=O)[N-]c3nccs3)c2)CCSC1	ZINC000565400731	939348225	/nfs/dbraw/zinc/34/82/25/939348225.db2.gz	NUQXKRQAJWJXKF-HNNXBMFYSA-N	-2	0	428.517	2.026	20	0		IEADRL
COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)cc1	ZINC000432104704	939174771	/nfs/dbraw/zinc/17/47/71/939174771.db2.gz	AGDZSYHHRZUOSJ-BEFAXECRSA-N	-2	0	448.497	2.106	20	0		IEADRL
COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)cc1	ZINC000432104706	939174821	/nfs/dbraw/zinc/17/48/21/939174821.db2.gz	AGDZSYHHRZUOSJ-HNAYVOBHSA-N	-2	0	448.497	2.106	20	0		IEADRL
O=C([O-])[C@@H](NC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)[C@@H]1CCCOC1	ZINC000432103159	939174010	/nfs/dbraw/zinc/17/40/10/939174010.db2.gz	PIUNLNDUIHLMMQ-KDOFPFPSSA-N	-2	0	438.527	2.087	20	0		IEADRL
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)c1	ZINC000432132243	939183114	/nfs/dbraw/zinc/18/31/14/939183114.db2.gz	ANGNYXRACMORJZ-HNAYVOBHSA-N	-2	0	448.497	2.106	20	0		IEADRL
O=C([O-])[C@H](NC(=O)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1)c1ccccn1	ZINC000797756502	939210801	/nfs/dbraw/zinc/21/08/01/939210801.db2.gz	HSNNDQSRTGTSCV-CQSZACIVSA-N	-2	0	433.471	2.286	20	0		IEADRL
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@]2(C(=O)[O-])CCSC2)c1	ZINC000540703769	939292751	/nfs/dbraw/zinc/29/27/51/939292751.db2.gz	OCUZUJCEHUTMIQ-LJQANCHMSA-N	-2	0	436.511	2.186	20	0		IEADRL
NC(=O)C1CCN(C(=O)c2ccccc2[N-]S(=O)(=O)c2cccc(Cl)c2[O-])CC1	ZINC000550106097	569966330	/nfs/dbraw/zinc/96/63/30/569966330.db2.gz	AIOXJFCAVYSSCH-UHFFFAOYSA-N	-2	0	437.905	2.184	20	0		IEADRL
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)c1	ZINC000540703768	939292712	/nfs/dbraw/zinc/29/27/12/939292712.db2.gz	OCUZUJCEHUTMIQ-IBGZPJMESA-N	-2	0	436.511	2.186	20	0		IEADRL
Cc1cc(C(=O)NC2(C(=O)[O-])CCSCC2)ccc1[N-]S(=O)(=O)C(F)(F)F	ZINC000776662901	939101955	/nfs/dbraw/zinc/10/19/55/939101955.db2.gz	YHOMQJBMBWSABL-UHFFFAOYSA-N	-2	0	426.438	2.337	20	0		IEADRL
O=C([O-])[C@@H](NC(=O)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1)c1cccnc1	ZINC000797749041	939209457	/nfs/dbraw/zinc/20/94/57/939209457.db2.gz	UQFASUHPVOIKNR-AWEZNQCLSA-N	-2	0	433.471	2.286	20	0		IEADRL
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)c1	ZINC000432132242	939183048	/nfs/dbraw/zinc/18/30/48/939183048.db2.gz	ANGNYXRACMORJZ-DNVCBOLYSA-N	-2	0	448.497	2.106	20	0		IEADRL
O=C([O-])[C@@H](NC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)[C@H]1CCCOC1	ZINC000432103160	939174088	/nfs/dbraw/zinc/17/40/88/939174088.db2.gz	PIUNLNDUIHLMMQ-KSSFIOAISA-N	-2	0	438.527	2.087	20	0		IEADRL
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)c1	ZINC000432132244	939183036	/nfs/dbraw/zinc/18/30/36/939183036.db2.gz	ANGNYXRACMORJZ-KXBFYZLASA-N	-2	0	448.497	2.106	20	0		IEADRL
COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)cc1	ZINC000537411238	939270797	/nfs/dbraw/zinc/27/07/97/939270797.db2.gz	KYAFKCGNPUJTAB-IBGZPJMESA-N	-2	0	436.511	2.186	20	0		IEADRL
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)c1	ZINC000432132241	939182992	/nfs/dbraw/zinc/18/29/92/939182992.db2.gz	ANGNYXRACMORJZ-BEFAXECRSA-N	-2	0	448.497	2.106	20	0		IEADRL
O=C([O-])[C@@H](NC(=O)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1)c1ccccn1	ZINC000797756501	939210910	/nfs/dbraw/zinc/21/09/10/939210910.db2.gz	HSNNDQSRTGTSCV-AWEZNQCLSA-N	-2	0	433.471	2.286	20	0		IEADRL
COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)cc1	ZINC000432104705	939174454	/nfs/dbraw/zinc/17/44/54/939174454.db2.gz	AGDZSYHHRZUOSJ-DNVCBOLYSA-N	-2	0	448.497	2.106	20	0		IEADRL
COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)cc1	ZINC000432104707	939174588	/nfs/dbraw/zinc/17/45/88/939174588.db2.gz	AGDZSYHHRZUOSJ-KXBFYZLASA-N	-2	0	448.497	2.106	20	0		IEADRL
CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@]3(C(=O)[O-])CCOC3)ccc2OC)cc1	ZINC000539616081	939287628	/nfs/dbraw/zinc/28/76/28/939287628.db2.gz	ONHYEXFWKXDAID-NRFANRHFSA-N	-2	0	448.497	2.032	20	0		IEADRL
O=C([O-])C1(NC(=O)Nc2cccc(S(=O)(=O)[N-]c3nccs3)c2)CCSCC1	ZINC000571008568	939387903	/nfs/dbraw/zinc/38/79/03/939387903.db2.gz	SLFWWILLJMUFRZ-UHFFFAOYSA-N	-2	0	442.544	2.416	20	0		IEADRL
O=C([O-])[C@H](NC(=O)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1)c1cccnc1	ZINC000797749042	939209426	/nfs/dbraw/zinc/20/94/26/939209426.db2.gz	UQFASUHPVOIKNR-CQSZACIVSA-N	-2	0	433.471	2.286	20	0		IEADRL
O=C([O-])[C@@]1(NC(=O)Cc2ccc([N-]S(=O)(=O)c3cccs3)cc2)CCSC1	ZINC000537413980	939272071	/nfs/dbraw/zinc/27/20/71/939272071.db2.gz	YMLLLEYFSIXYSO-QGZVFWFLSA-N	-2	0	426.541	2.168	20	0		IEADRL