smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1	ZINC000223369307	201032465	/nfs/dbraw/zinc/03/24/65/201032465.db2.gz	DDNQPRRBUIIMFS-UHFFFAOYSA-N	-1	2	337.328	2.527	40	0		EFABLM
O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2O)c1	ZINC000226860737	242117723	/nfs/dbraw/zinc/11/77/23/242117723.db2.gz	FIZKPFRWYWVOFE-UHFFFAOYSA-N	-1	2	327.745	2.545	40	0		EFABLM
COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)s1	ZINC000096697664	472394226	/nfs/dbraw/zinc/39/42/26/472394226.db2.gz	AYQDWDYOAKMJML-UHFFFAOYSA-N	-1	2	347.801	2.909	40	0		EFABLM
O=C([O-])Cc1cccc(NS(=O)(=O)c2cccc3c2N=S=N3)c1	ZINC000322335081	474938243	/nfs/dbraw/zinc/93/82/43/474938243.db2.gz	PYMWNZVOEPKZBH-UHFFFAOYSA-N	-1	2	349.393	2.841	40	0		EFABLM
COc1ccsc1S(=O)(=O)Nc1cc(C)cc(C(=O)[O-])c1	ZINC000390834557	476805905	/nfs/dbraw/zinc/80/59/05/476805905.db2.gz	CXHVRQWNLVDZOC-UHFFFAOYSA-N	-1	2	327.383	2.564	40	0		EFABLM
CCOc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000007230506	210771463	/nfs/dbraw/zinc/77/14/63/210771463.db2.gz	YNHLUWNLRTUSDQ-UHFFFAOYSA-N	-1	2	339.344	2.723	40	0		EFABLM
Cc1cc(S(=O)(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)sn1	ZINC000634789326	480524379	/nfs/dbraw/zinc/52/43/79/480524379.db2.gz	IUNFYSPDAFBOQE-UHFFFAOYSA-N	-1	2	340.426	2.615	40	0		EFABLM
Cc1ccc(S(=O)(=O)[N-]C(=O)N2c3ccccc3C[C@H]2C)cc1	ZINC000003257557	205647187	/nfs/dbraw/zinc/64/71/87/205647187.db2.gz	FVCJBYRHCZRCPT-CYBMUJFWSA-N	-1	2	330.409	2.845	40	0		EFABLM
O=C([O-])c1ccc(S(=O)(=O)Nc2cnoc2-c2ccccc2)cc1	ZINC000352639511	475481869	/nfs/dbraw/zinc/48/18/69/475481869.db2.gz	HNVHYXQFCINNCL-UHFFFAOYSA-N	-1	2	344.348	2.841	40	0		EFABLM
O=C([O-])Cc1cccc(NS(=O)(=O)c2cc(Cl)ccc2F)c1	ZINC000340740232	476245002	/nfs/dbraw/zinc/24/50/02/476245002.db2.gz	NQCKXVOUOLCXPN-UHFFFAOYSA-N	-1	2	343.763	2.907	40	0		EFABLM
O=C([O-])c1csc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)c1	ZINC000015243834	471893349	/nfs/dbraw/zinc/89/33/49/471893349.db2.gz	RKYODWRMEAOSLG-UHFFFAOYSA-N	-1	2	349.336	2.849	40	0		EFABLM
COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1cccs1	ZINC000362195586	476063748	/nfs/dbraw/zinc/06/37/48/476063748.db2.gz	NCTPDMUGVKSEEC-UHFFFAOYSA-N	-1	2	341.410	2.575	40	0		EFABLM
Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)sc1Cl	ZINC000231806711	525421907	/nfs/dbraw/zinc/42/19/07/525421907.db2.gz	OQFVSVHBMLWUEN-UHFFFAOYSA-N	-1	2	347.801	2.915	40	0		EFABLM
COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccsc1	ZINC000349994223	142388481	/nfs/dbraw/zinc/38/84/81/142388481.db2.gz	YRXXZKHKJGJQCM-UHFFFAOYSA-N	-1	2	347.801	2.909	40	0		EFABLM
CC(=O)c1ccc(F)cc1NS(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000390833852	476804894	/nfs/dbraw/zinc/80/48/94/476804894.db2.gz	NYSJNCBYVQXBSC-UHFFFAOYSA-N	-1	2	343.357	2.589	40	0		EFABLM
O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1	ZINC000020565707	212148083	/nfs/dbraw/zinc/14/80/83/212148083.db2.gz	GXPRWANWIZELSR-UHFFFAOYSA-N	-1	2	329.736	2.978	40	0		EFABLM
Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000078733972	302731236	/nfs/dbraw/zinc/73/12/36/302731236.db2.gz	GXQOTQPNYADMGG-UHFFFAOYSA-N	-1	2	337.401	2.580	40	0		EFABLM
COc1cc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])cc(Cl)c1O	ZINC000096868633	472398582	/nfs/dbraw/zinc/39/85/82/472398582.db2.gz	FTYISDPMMHJDQF-YHYXMXQVSA-N	-1	2	341.776	2.699	40	0		EFABLM
O=C(NCCc1cccc(S)c1)C(=O)Nc1cccc([S-])c1	ZINC000006241257	471537182	/nfs/dbraw/zinc/53/71/82/471537182.db2.gz	CEKKHBQUQOKYFW-UHFFFAOYSA-N	-1	2	332.450	2.561	40	0		EFABLM
O=C([O-])CCC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1	ZINC000390835329	476806650	/nfs/dbraw/zinc/80/66/50/476806650.db2.gz	LANVQOSOGGKZAV-UHFFFAOYSA-N	-1	2	339.394	2.596	40	0		EFABLM
O=C([O-])c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1	ZINC000007053779	471588360	/nfs/dbraw/zinc/58/83/60/471588360.db2.gz	HXDVXJHLAZEJOS-UHFFFAOYSA-N	-1	2	331.271	2.603	40	0		EFABLM
O=C([O-])CN1C(=O)S/C(=C/c2cc(Cl)c(O)c(Cl)c2)C1=O	ZINC000409132884	476978200	/nfs/dbraw/zinc/97/82/00/476978200.db2.gz	RVSMDUFJOJTFNQ-FPYGCLRLSA-N	-1	2	348.163	2.820	40	0		EFABLM
O=C([O-])c1cc(Br)cc(NS(=O)(=O)c2ccoc2)c1	ZINC000349078375	146047903	/nfs/dbraw/zinc/04/79/03/146047903.db2.gz	DUIUGAGCLTXEDN-UHFFFAOYSA-N	-1	2	346.158	2.541	40	0		EFABLM
COc1ccc(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000007230497	471599448	/nfs/dbraw/zinc/59/94/48/471599448.db2.gz	PFVJYFWHMOQSFU-UHFFFAOYSA-N	-1	2	339.344	2.642	40	0		EFABLM
O=C([O-])c1cccc(NS(=O)(=O)c2ccc(Cl)cc2F)c1	ZINC000013264852	471824072	/nfs/dbraw/zinc/82/40/72/471824072.db2.gz	XCLCVTCCGWFVPO-UHFFFAOYSA-N	-1	2	329.736	2.978	40	0		EFABLM
COc1ccc(-c2c(=O)c3ccc(O)cc3oc2C(=O)[O-])cc1OC	ZINC000033849291	471986457	/nfs/dbraw/zinc/98/64/57/471986457.db2.gz	DLKXBQGTFKSEJO-UHFFFAOYSA-N	-1	2	342.303	2.881	40	0		EFABLM
O=C([O-])c1cc(F)ccc1NS(=O)(=O)c1ccc(F)c(F)c1F	ZINC000033047686	212892168	/nfs/dbraw/zinc/89/21/68/212892168.db2.gz	GGDFRLVYGCXDBQ-UHFFFAOYSA-N	-1	2	349.261	2.742	40	0		EFABLM
O=C([O-])c1oc2cc(O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2	ZINC000020113533	304285669	/nfs/dbraw/zinc/28/56/69/304285669.db2.gz	LVCGYXMMGGVONW-UHFFFAOYSA-N	-1	2	340.287	2.635	40	0	biogenic	EFABLM
COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1ccsc1	ZINC000349030083	146039450	/nfs/dbraw/zinc/03/94/50/146039450.db2.gz	DKAKCJCMYFIRRZ-UHFFFAOYSA-N	-1	2	341.410	2.575	40	0		EFABLM
Cc1noc(C)c1S(=O)(=O)Nc1c(C(=O)[O-])cccc1C(C)C	ZINC000299145589	311056146	/nfs/dbraw/zinc/05/61/46/311056146.db2.gz	KNLFZRHNMPJCNO-UHFFFAOYSA-N	-1	2	338.385	2.914	40	0		EFABLM
O=C([O-])c1cc(F)ccc1NS(=O)(=O)c1cc(F)ccc1F	ZINC000032718982	472457967	/nfs/dbraw/zinc/45/79/67/472457967.db2.gz	UUKBUKWYJPWZEO-UHFFFAOYSA-N	-1	2	331.271	2.603	40	0		EFABLM
Cc1cc(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)sc1C	ZINC000357898320	475243205	/nfs/dbraw/zinc/24/32/05/475243205.db2.gz	RNXPGDXLDUKJPL-UHFFFAOYSA-N	-1	2	325.411	2.793	40	0		EFABLM
COC(=O)c1c(CCc2ccccc2)cccc1O[P@@](=O)([O-])O	ZINC000035973589	213053143	/nfs/dbraw/zinc/05/31/43/213053143.db2.gz	NENFLOJIKJGGLN-UHFFFAOYSA-N	-1	2	336.280	2.730	40	0		EFABLM
COC(=O)c1c(CCc2ccccc2)cccc1O[P@](=O)([O-])O	ZINC000035973589	213053145	/nfs/dbraw/zinc/05/31/45/213053145.db2.gz	NENFLOJIKJGGLN-UHFFFAOYSA-N	-1	2	336.280	2.730	40	0		EFABLM