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-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1O	ZINC000000344736	471349639	/nfs/dbraw/zinc/34/96/39/471349639.db2.gz	KVUBGPRJOLODMZ-UHFFFAOYSA-N	-2	1	327.745	2.545	50	0		EFAAML
O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2F)c1	ZINC000003855812	471455232	/nfs/dbraw/zinc/45/52/32/471455232.db2.gz	JLTGAXOCULBQIU-UHFFFAOYSA-N	-2	1	329.736	2.978	50	0		EFAAML
CCOc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1	ZINC000016622768	471943841	/nfs/dbraw/zinc/94/38/41/471943841.db2.gz	BIGQSVYERNDLQA-UHFFFAOYSA-N	-2	1	327.383	2.646	50	0		EFAAML
CC[C@]1(C(=O)[O-])CCCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1	ZINC000091820259	218071765	/nfs/dbraw/zinc/07/17/65/218071765.db2.gz	AEFDGKFWRRBZMP-INIZCTEOSA-N	-2	1	325.792	2.692	50	0		EFAAML
COc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)ccc1Cl	ZINC000034864971	471992195	/nfs/dbraw/zinc/99/21/95/471992195.db2.gz	ZSWYASPYWXNQKU-UHFFFAOYSA-N	-2	1	341.772	2.848	50	0		EFAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1Cl	ZINC000000360259	209551245	/nfs/dbraw/zinc/55/12/45/209551245.db2.gz	AAAMRSKNWUGKDJ-UHFFFAOYSA-N	-2	1	329.736	2.978	50	0		EFAAML
COc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)ccc1Cl	ZINC000032601589	472446557	/nfs/dbraw/zinc/44/65/57/472446557.db2.gz	WEAMEJXFLDYXNO-UHFFFAOYSA-N	-2	1	341.772	2.848	50	0		EFAAML
CCOc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1	ZINC000037370738	202340480	/nfs/dbraw/zinc/34/04/80/202340480.db2.gz	JZHUAIDLMKHQFU-UHFFFAOYSA-N	-2	1	327.383	2.646	50	0		EFAAML
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1	ZINC000000074538	206211416	/nfs/dbraw/zinc/21/14/16/206211416.db2.gz	LCDSHECNPHRZQI-UHFFFAOYSA-N	-2	1	329.736	2.978	50	0		EFAAML
Cc1cc(=O)n(-c2ccc(Oc3ccccc3)c(S(=O)(=O)[O-])c2)[n-]1	ZINC000004956529	471480827	/nfs/dbraw/zinc/48/08/27/471480827.db2.gz	VBZMWEGRHUMYSG-UHFFFAOYSA-N	-2	1	346.364	2.838	50	0		EFAAML
Cc1sc2[n-]c(=S)n([N-]C(=O)c3ccccn3)c(=O)c2c1C	ZINC000017068332	471955186	/nfs/dbraw/zinc/95/51/86/471955186.db2.gz	BWPPHYBBYLOCMC-UHFFFAOYSA-N	-2	1	332.410	2.516	50	0		EFAAML
O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)Cc1ccc([O-])c(Cl)c1	ZINC000217404900	241249197	/nfs/dbraw/zinc/24/91/97/241249197.db2.gz	CKSXZCIYSGSTHC-OAHLLOKOSA-N	-2	1	345.782	2.626	50	0		EFAAML
COc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c(C)cc1C	ZINC000008714935	471699681	/nfs/dbraw/zinc/69/96/81/471699681.db2.gz	IQVYOSLCMJOSFE-UHFFFAOYSA-N	-2	1	335.381	2.811	50	0		EFAAML
O=C(CSc1nc([O-])cc(=O)[n-]1)Nc1c(Cl)cccc1Cl	ZINC000017072048	471956613	/nfs/dbraw/zinc/95/66/13/471956613.db2.gz	HGICTQZYDKXZTR-UHFFFAOYSA-N	-2	1	346.195	2.513	50	0		EFAAML
O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)Cc1ccc([O-])c(Cl)c1	ZINC000217404817	241249525	/nfs/dbraw/zinc/24/95/25/241249525.db2.gz	CKSXZCIYSGSTHC-HNNXBMFYSA-N	-2	1	345.782	2.626	50	0		EFAAML
O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccccc2Cl)c1	ZINC000003855808	471455306	/nfs/dbraw/zinc/45/53/06/471455306.db2.gz	MQULHZQYCUTCFZ-UHFFFAOYSA-N	-2	1	329.736	2.978	50	0		EFAAML
O=C([N-]n1c(=O)c2c3c(sc2[n-]c1=S)CCCC3)c1ccco1	ZINC000017072260	471955959	/nfs/dbraw/zinc/95/59/59/471955959.db2.gz	BCUGRQWMDNIAPI-UHFFFAOYSA-N	-2	1	347.421	2.976	50	0		EFAAML
CC[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1	ZINC000091820262	472812436	/nfs/dbraw/zinc/81/24/36/472812436.db2.gz	AEFDGKFWRRBZMP-MRXNPFEDSA-N	-2	1	325.792	2.692	50	0		EFAAML
O=C([O-])c1ccc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)cc1	ZINC000020394593	212124575	/nfs/dbraw/zinc/12/45/75/212124575.db2.gz	XKBIRBMMIAPIIM-UHFFFAOYSA-N	-2	1	330.287	2.779	50	0		EFAAML
COc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c(C)cc1C	ZINC000008714926	471700404	/nfs/dbraw/zinc/70/04/04/471700404.db2.gz	CWPPSSKXBSMHIR-UHFFFAOYSA-N	-2	1	335.381	2.811	50	0		EFAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl	ZINC000000280787	471342936	/nfs/dbraw/zinc/34/29/36/471342936.db2.gz	XIJVRDKNVIPWNE-UHFFFAOYSA-N	-2	1	329.736	2.978	50	0		EFAAML
CCOc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)ccc1F	ZINC000008715821	471701855	/nfs/dbraw/zinc/70/18/55/471701855.db2.gz	UWABBQNMOGRCTH-UHFFFAOYSA-N	-2	1	339.344	2.723	50	0		EFAAML
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1	ZINC000000074544	471319895	/nfs/dbraw/zinc/31/98/95/471319895.db2.gz	SMDXYZASGOAWSA-UHFFFAOYSA-N	-2	1	329.736	2.978	50	0		EFAAML
COc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])ccc1Cl	ZINC000032601555	472445355	/nfs/dbraw/zinc/44/53/55/472445355.db2.gz	VBRQXQJMKQTOKO-UHFFFAOYSA-N	-2	1	341.772	2.848	50	0		EFAAML
COc1ccc(S(=O)(=O)[N-]c2cccc3cc(C(=O)[O-])[nH]c32)cc1	ZINC000000154319	471328689	/nfs/dbraw/zinc/32/86/89/471328689.db2.gz	UJHWOZFZLVVMIX-UHFFFAOYSA-N	-2	1	346.364	2.676	50	0		EFAAML
O=C([O-])Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000005598865	471512900	/nfs/dbraw/zinc/51/29/00/471512900.db2.gz	DYJXSXYZCPNLFS-UHFFFAOYSA-N	-2	1	325.773	2.768	50	0		EFAAML
CCOc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])ccc1F	ZINC000008714932	471699902	/nfs/dbraw/zinc/69/99/02/471699902.db2.gz	DMIRFYYZRJSZPF-UHFFFAOYSA-N	-2	1	339.344	2.723	50	0		EFAAML
CCOc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)ccc1F	ZINC000011613978	211226697	/nfs/dbraw/zinc/22/66/97/211226697.db2.gz	ZULIBKHPOPSRTG-UHFFFAOYSA-N	-2	1	339.344	2.723	50	0		EFAAML
O=C([O-])CCCCCNC(=O)c1cc(Br)ccc1[O-]	ZINC000002328034	471405557	/nfs/dbraw/zinc/40/55/57/471405557.db2.gz	HXLGWKWCEYAKKV-UHFFFAOYSA-N	-2	1	330.178	2.530	50	0		EFAAML
Cc1cc([O-])c(C(c2ccccc2)c2c([O-])cc(C)oc2=O)c(=O)o1	ZINC000016267088	471929522	/nfs/dbraw/zinc/92/95/22/471929522.db2.gz	YKVRKCXHJIXVAU-UHFFFAOYSA-N	-2	1	340.331	2.801	50	0		EFAAML
CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCC(=O)[O-]	ZINC000016688975	471947595	/nfs/dbraw/zinc/94/75/95/471947595.db2.gz	GCXGVMATVUEQDV-WDZFZDKYSA-N	-2	1	339.394	2.878	50	0		EFAAML
O=C([N-]n1c(=O)c2c3c(sc2[n-]c1=S)CCC3)c1ccco1	ZINC000017068569	471954912	/nfs/dbraw/zinc/95/49/12/471954912.db2.gz	JYYHMEDKTHLMQS-UHFFFAOYSA-N	-2	1	333.394	2.586	50	0		EFAAML