smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C)cc1S(=O)(=O)Nc1nc(C)c(C(=O)[O-])s1	ZINC000020156599	441263124	/nfs/dbraw/zinc/26/31/24/441263124.db2.gz	CMAHKWAMWLSJAA-UHFFFAOYSA-N	-1	2	342.398	2.268	40	0		EEABLM
Cc1csc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)n1	ZINC000021518599	441271817	/nfs/dbraw/zinc/27/18/17/441271817.db2.gz	XGNPFHYHNJIIQJ-UHFFFAOYSA-N	-1	2	326.399	2.270	40	0		EEABLM
O=S(=O)([O-])c1cc(Br)c(O)c(Br)c1	ZINC000001764317	462586736	/nfs/dbraw/zinc/58/67/36/462586736.db2.gz	DMIMZHGXWWCGBD-UHFFFAOYSA-N	-1	2	331.969	2.164	40	0		EEABLM
CCc1oncc1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1	ZINC000337883505	465653553	/nfs/dbraw/zinc/65/35/53/465653553.db2.gz	ZWAZNZGGTWCDGR-UHFFFAOYSA-N	-1	2	330.749	2.389	40	0		EEABLM
Cn1ncc(NS(=O)(=O)c2csc3ccccc32)c1C(=O)[O-]	ZINC000552028776	468300910	/nfs/dbraw/zinc/30/09/10/468300910.db2.gz	OZRXLKXWBWBOQY-UHFFFAOYSA-N	-1	2	337.382	2.134	40	0		EEABLM
CC[C@H](Cc1ccc(NS(=O)(=O)c2c[nH]nc2C)cc1)C(=O)[O-]	ZINC000361773272	466275521	/nfs/dbraw/zinc/27/55/21/466275521.db2.gz	RHUHRPXAEOJGQE-GFCCVEGCSA-N	-1	2	337.401	2.172	40	0		EEABLM
COc1cc(OC)c(NS(=O)(=O)c2cccs2)c(C(=O)[O-])c1	ZINC000060362425	462543473	/nfs/dbraw/zinc/54/34/73/462543473.db2.gz	MSBHWIONGHCEFN-UHFFFAOYSA-N	-1	2	343.382	2.264	40	0		EEABLM
Cc1oncc1NS(=O)(=O)c1c(C)cc(C)c(CC(=O)[O-])c1C	ZINC000272750766	274180609	/nfs/dbraw/zinc/18/06/09/274180609.db2.gz	LLRXKBJOEHFQPB-UHFFFAOYSA-N	-1	2	338.385	2.336	40	0		EEABLM
COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cncc(Cl)c1	ZINC000350302675	466454898	/nfs/dbraw/zinc/45/48/98/466454898.db2.gz	SWVDZTHSGYLQOB-UHFFFAOYSA-N	-1	2	342.760	2.243	40	0		EEABLM
O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1	ZINC000007230432	462726517	/nfs/dbraw/zinc/72/65/17/462726517.db2.gz	DMEZJLWLTWLRHW-UHFFFAOYSA-N	-1	2	339.300	2.053	40	0		EEABLM
Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000272444520	464610934	/nfs/dbraw/zinc/61/09/34/464610934.db2.gz	UKIPLBIEHIONSI-UHFFFAOYSA-N	-1	2	335.288	2.056	40	0		EEABLM
Cc1cc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc2[nH]ncc21	ZINC000346473944	161375324	/nfs/dbraw/zinc/37/53/24/161375324.db2.gz	GWCJRWJHDWCYML-UHFFFAOYSA-N	-1	2	345.380	2.299	40	0		EEABLM
Cc1cc(S(=O)(=O)Nc2cccc3n[nH]cc32)sc1C(=O)[O-]	ZINC000071946538	463477436	/nfs/dbraw/zinc/47/74/36/463477436.db2.gz	CHQADJXGFOGSQD-UHFFFAOYSA-N	-1	2	337.382	2.432	40	0		EEABLM
COc1ccc(F)cc1S(=O)(=O)Nc1nc(C)c(C(=O)[O-])s1	ZINC000020156610	441263568	/nfs/dbraw/zinc/26/35/68/441263568.db2.gz	JXFMACPDDCZBRM-UHFFFAOYSA-N	-1	2	346.361	2.098	40	0		EEABLM
COc1ccc2[nH]c(-c3cccc(F)c3)cc(=O)c2c1[P@@](=O)([O-])O	ZINC000584567007	468898706	/nfs/dbraw/zinc/89/87/06/468898706.db2.gz	HATKLYFWVZJFSS-UHFFFAOYSA-N	-1	2	349.254	2.146	40	0		EEABLM
COc1ccc2[nH]c(-c3cccc(F)c3)cc(=O)c2c1[P@](=O)([O-])O	ZINC000584567007	468898710	/nfs/dbraw/zinc/89/87/10/468898710.db2.gz	HATKLYFWVZJFSS-UHFFFAOYSA-N	-1	2	349.254	2.146	40	0		EEABLM
Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000350741401	466593842	/nfs/dbraw/zinc/59/38/42/466593842.db2.gz	OTLXESCTBNOOBY-UHFFFAOYSA-N	-1	2	349.290	2.294	40	0		EEABLM
COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1ccoc1	ZINC000349030075	465928857	/nfs/dbraw/zinc/92/88/57/465928857.db2.gz	DIANQWSYORYNTH-UHFFFAOYSA-N	-1	2	325.342	2.106	40	0		EEABLM
Cc1cc(S(=O)(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)sn1	ZINC000634794612	470316070	/nfs/dbraw/zinc/31/60/70/470316070.db2.gz	KKFQOZDKOJAUBI-NWDGAFQWSA-N	-1	2	338.410	2.440	40	0		EEABLM
Cc1nc(C)c(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)s1	ZINC000176501657	464789181	/nfs/dbraw/zinc/78/91/81/464789181.db2.gz	UQEQPGNPPFQMTG-UHFFFAOYSA-N	-1	2	326.399	2.188	40	0		EEABLM
Cc1c(Br)c(O)c(Br)cc1S(=O)(=O)[O-]	ZINC000001712815	462586921	/nfs/dbraw/zinc/58/69/21/462586921.db2.gz	WTXMXWMKRADLIU-UHFFFAOYSA-N	-1	2	345.996	2.472	40	0		EEABLM
COc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1	ZINC000007230443	462726869	/nfs/dbraw/zinc/72/68/69/462726869.db2.gz	QAJZJMLPNNECQT-UHFFFAOYSA-N	-1	2	325.317	2.333	40	0		EEABLM
CCc1noc(C)c1NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1	ZINC000339075058	160826650	/nfs/dbraw/zinc/82/66/50/160826650.db2.gz	KMADPIFYQMOHDQ-UHFFFAOYSA-N	-1	2	340.357	2.053	40	0		EEABLM
CC[C@@H](Cc1ccc(NS(=O)(=O)c2c[nH]nc2C)cc1)C(=O)[O-]	ZINC000361773273	466275674	/nfs/dbraw/zinc/27/56/74/466275674.db2.gz	RHUHRPXAEOJGQE-LBPRGKRZSA-N	-1	2	337.401	2.172	40	0		EEABLM
CC(C)CCn1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)n1	ZINC000164540330	463625358	/nfs/dbraw/zinc/62/53/58/463625358.db2.gz	RBAJALJVMWBIHI-UHFFFAOYSA-N	-1	2	343.430	2.490	40	0		EEABLM
CCCCn1cc(C[N@@H+]2CCO[C@H](c3cc(=O)[nH]c(C)n3)C2)c(C)n1	ZINC000257278933	463758167	/nfs/dbraw/zinc/75/81/67/463758167.db2.gz	OEHCCWSZJZOHOG-KRWDZBQOSA-N	-1	2	345.447	2.369	40	0		EEABLM
CCCCn1cc(C[N@@H+]2CCO[C@@H](c3cc(=O)[nH]c(C)n3)C2)c(C)n1	ZINC000257278934	463758735	/nfs/dbraw/zinc/75/87/35/463758735.db2.gz	OEHCCWSZJZOHOG-QGZVFWFLSA-N	-1	2	345.447	2.369	40	0		EEABLM