smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)c(SCCC(=O)[O-])c1	ZINC000460458657	823396319	/nfs/dbraw/zinc/39/63/19/823396319.db2.gz	LCEWPMXBCOGFAG-UHFFFAOYSA-N	-2	0	385.894	4.016	20	0		GIADRL
Cc1cc(F)cc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(Cl)sc1Cl	ZINC000063878986	823704863	/nfs/dbraw/zinc/70/48/63/823704863.db2.gz	IKIIZQKKRDFRRM-UHFFFAOYSA-N	-2	0	384.237	4.001	20	0		GIADRL
Cc1cc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(F)c2)sc1C(=O)[O-]	ZINC000460835252	823525380	/nfs/dbraw/zinc/52/53/80/823525380.db2.gz	YVYNJSAZVQYYNK-UHFFFAOYSA-N	-2	0	399.465	4.016	20	0		GIADRL
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2SC2CCCC2)cc1F	ZINC000462072844	823819804	/nfs/dbraw/zinc/81/98/04/823819804.db2.gz	GKLXAQSJVPCCIJ-UHFFFAOYSA-N	-2	0	395.477	4.359	20	0		GIADRL
O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)c1	ZINC000013299963	818209387	/nfs/dbraw/zinc/20/93/87/818209387.db2.gz	AGTYRAAIDMICLG-UHFFFAOYSA-N	-2	0	375.427	4.039	20	0		GIADRL
C[C@@H](Oc1cccc(/C=C(/CC(=O)[O-])c2nc3ccccc3s2)c1)C(=O)[O-]	ZINC000058464506	823395388	/nfs/dbraw/zinc/39/53/88/823395388.db2.gz	LVNVBVPRFWLNNY-OJLMPMFISA-N	-2	0	383.425	4.164	20	0		GIADRL
O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3ccccc32)c(Cl)cc1F	ZINC000060211009	823511878	/nfs/dbraw/zinc/51/18/78/823511878.db2.gz	ABJASBTUUQJPJH-UHFFFAOYSA-N	-2	0	379.796	4.131	20	0		GIADRL
O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2F)c1	ZINC000031721604	820851065	/nfs/dbraw/zinc/85/10/65/820851065.db2.gz	WPBKIIHPWYCWBN-UHFFFAOYSA-N	-2	0	377.418	4.053	20	0		GIADRL
Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Nc1ccc(C)cc1	ZINC000462082158	823822699	/nfs/dbraw/zinc/82/26/99/823822699.db2.gz	WKXQZAICUMLBIN-UHFFFAOYSA-N	-2	0	386.429	4.139	20	0		GIADRL
CC(C)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)cc1	ZINC000013264911	818208360	/nfs/dbraw/zinc/20/83/60/818208360.db2.gz	WQONXYGCJAXCHC-UHFFFAOYSA-N	-2	0	398.278	4.072	20	0		GIADRL
CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000064374948	823803738	/nfs/dbraw/zinc/80/37/38/823803738.db2.gz	NAVHFNAROHDJJB-UHFFFAOYSA-N	-2	0	392.285	4.214	20	0		GIADRL
O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(OC3CCCC3)c2)c(Cl)c1	ZINC000462082372	823822722	/nfs/dbraw/zinc/82/27/22/823822722.db2.gz	CHEOWTNBEUYQPA-UHFFFAOYSA-N	-2	0	395.864	4.160	20	0		GIADRL
Cc1cc(Cl)c2ccccc2c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000462354883	823937989	/nfs/dbraw/zinc/93/79/89/823937989.db2.gz	WXXXRMMSHICCTI-UHFFFAOYSA-N	-2	0	381.862	4.362	20	0		GIADRL
CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl	ZINC000013278885	818208332	/nfs/dbraw/zinc/20/83/32/818208332.db2.gz	JKCLCNCHYQRHGI-UHFFFAOYSA-N	-2	0	392.285	4.214	20	0		GIADRL
O=S(=O)([N-]c1cc(Cl)c([O-])c(Cl)c1)c1c[nH]c2cccc(F)c21	ZINC000185283966	822759522	/nfs/dbraw/zinc/75/95/22/822759522.db2.gz	MAXABTLRXSGTGU-UHFFFAOYSA-N	-2	0	375.208	4.120	20	0		GIADRL
CC(C)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)c1	ZINC000013265592	818208237	/nfs/dbraw/zinc/20/82/37/818208237.db2.gz	YHZIZGJTRPNFJK-UHFFFAOYSA-N	-2	0	398.278	4.072	20	0		GIADRL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c(Cl)cc1Cl	ZINC000013340852	818210080	/nfs/dbraw/zinc/21/00/80/818210080.db2.gz	HDKFILSVTKTKGE-UHFFFAOYSA-N	-2	0	398.626	4.285	20	0		GIADRL
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1cc(Cl)c([O-])c(Cl)c1	ZINC000184531783	822652108	/nfs/dbraw/zinc/65/21/08/822652108.db2.gz	ZUVUWWRJEXDKMS-UHFFFAOYSA-N	-2	0	397.623	4.061	20	0		GIADRL
C[C@H](Cc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1)C(=O)[O-]	ZINC000184657878	822671846	/nfs/dbraw/zinc/67/18/46/822671846.db2.gz	OYTGMLQYTHKLNB-SNVBAGLBSA-N	-2	0	388.272	4.057	20	0		GIADRL
COC[C@@H](C)Oc1cccc(-c2ccc(C(CC(=O)[O-])CC(=O)[O-])cc2C)c1	ZINC000571226595	823151510	/nfs/dbraw/zinc/15/15/10/823151510.db2.gz	RJUIZZHYPFYAKL-OAHLLOKOSA-N	-2	0	386.444	4.109	20	0		GIADRL
CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1	ZINC000013278911	818208839	/nfs/dbraw/zinc/20/88/39/818208839.db2.gz	FRTGVKXXLSNONX-UHFFFAOYSA-N	-2	0	392.285	4.214	20	0		GIADRL
Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)c1Cl	ZINC000013362545	818210584	/nfs/dbraw/zinc/21/05/84/818210584.db2.gz	XLMDSSBEUDBMJU-UHFFFAOYSA-N	-2	0	388.272	4.038	20	0		GIADRL
Cc1cc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)sc1C(=O)[O-]	ZINC000058190709	823368357	/nfs/dbraw/zinc/36/83/57/823368357.db2.gz	WJQLZRMSXKBPTE-UHFFFAOYSA-N	-2	0	387.482	4.146	20	0		GIADRL
O=C([O-])c1csc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)c1	ZINC000025766941	820022975	/nfs/dbraw/zinc/02/29/75/820022975.db2.gz	HAHOJRJFIWAXBL-UHFFFAOYSA-N	-2	0	391.495	4.398	20	0		GIADRL
CC(C)Oc1c([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cccc1C(=O)[O-]	ZINC000410400300	823487180	/nfs/dbraw/zinc/48/71/80/823487180.db2.gz	YSRVEENXJUDOHD-UHFFFAOYSA-N	-2	0	377.462	4.096	20	0		GIADRL
Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)sc1Cl	ZINC000189902902	823512151	/nfs/dbraw/zinc/51/21/51/823512151.db2.gz	KCDCMSJKESNBDG-UHFFFAOYSA-N	-2	0	399.799	4.228	20	0		GIADRL
CC(C)Sc1c(Cl)cccc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC000569297588	822903757	/nfs/dbraw/zinc/90/37/57/822903757.db2.gz	UBWYBXWRWWAIMA-UHFFFAOYSA-N	-2	0	399.921	4.268	20	0		GIADRL
Cc1cc(C(CC(=O)[O-])CC(=O)[O-])ccc1-c1ccc(OC(F)F)c(F)c1	ZINC000570828024	823092697	/nfs/dbraw/zinc/09/26/97/823092697.db2.gz	SLRJOBVDAMVKMV-UHFFFAOYSA-N	-2	0	382.334	4.436	20	0		GIADRL
CC(F)(F)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1	ZINC000188557985	823261848	/nfs/dbraw/zinc/26/18/48/823261848.db2.gz	ATVCBHIYXCQJPC-UHFFFAOYSA-N	-2	0	393.770	4.090	20	0		GIADRL
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl	ZINC000013341322	818210036	/nfs/dbraw/zinc/21/00/36/818210036.db2.gz	SBXYTOBAVYBDOE-UHFFFAOYSA-N	-2	0	394.663	4.454	20	0		GIADRL
Cc1cc(S(=O)(=O)[N-]c2ccc(C)cc2SCCC(=O)[O-])c(C)s1	ZINC000460451392	823393822	/nfs/dbraw/zinc/39/38/22/823393822.db2.gz	PMZSAMFKNFSQOK-UHFFFAOYSA-N	-2	0	385.532	4.041	20	0		GIADRL
Cc1ccc(Oc2ccccc2)c([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1	ZINC000573146101	823455279	/nfs/dbraw/zinc/45/52/79/823455279.db2.gz	LSPAJBDRRHJTFH-UHFFFAOYSA-N	-2	0	397.452	4.215	20	0		GIADRL
CC[C@@H](C)Oc1ccccc1-c1cccc(-n2[n-]c(C)c(CC(=O)[O-])c2=O)c1	ZINC000574927320	823862036	/nfs/dbraw/zinc/86/20/36/823862036.db2.gz	FAFMGOZJTZCMFB-KUHUBIRLSA-N	-2	0	380.444	4.344	20	0		GIADRL
O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl	ZINC000169377378	823910553	/nfs/dbraw/zinc/91/05/53/823910553.db2.gz	VRXBAWUATGPDHE-UHFFFAOYSA-N	-2	0	380.636	4.146	20	0		GIADRL
Cc1cc(-c2ccc(C(CC(=O)[O-])CC(=O)[O-])cc2C)ccc1O[C@H]1CCOC1	ZINC000570986393	823116037	/nfs/dbraw/zinc/11/60/37/823116037.db2.gz	BDLOROZQIMXPAR-IBGZPJMESA-N	-2	0	398.455	4.171	20	0		GIADRL
Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl	ZINC000013464571	818212752	/nfs/dbraw/zinc/21/27/52/818212752.db2.gz	ASNANIRCFBFUGL-UHFFFAOYSA-N	-2	0	393.770	4.166	20	0		GIADRL
CC(C)(C)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1	ZINC000060211013	823512015	/nfs/dbraw/zinc/51/20/15/823512015.db2.gz	AEBIHWMQFYNKIE-UHFFFAOYSA-N	-2	0	385.844	4.276	20	0		GIADRL
COc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1)oc1ccccc12	ZINC000007056394	817748786	/nfs/dbraw/zinc/74/87/86/817748786.db2.gz	UQOZCLRVWJLMBB-UHFFFAOYSA-N	-2	0	397.408	4.094	20	0		GIADRL
O=C([O-])CCOc1cccc(/C=C(/CC(=O)[O-])c2nc3ccccc3s2)c1	ZINC000058464507	823395571	/nfs/dbraw/zinc/39/55/71/823395571.db2.gz	PASVIEGHUCPTDA-UVTDQMKNSA-N	-2	0	383.425	4.165	20	0		GIADRL
CC[C@H](C)Oc1ccccc1-c1cccc(-n2[n-]c(C)c(CC(=O)[O-])c2=O)c1	ZINC000574927319	823861921	/nfs/dbraw/zinc/86/19/21/823861921.db2.gz	FAFMGOZJTZCMFB-IFXJQAMLSA-N	-2	0	380.444	4.344	20	0		GIADRL
COC[C@H](C)Oc1cccc(-c2ccc(C(CC(=O)[O-])CC(=O)[O-])cc2C)c1	ZINC000571226591	823151574	/nfs/dbraw/zinc/15/15/74/823151574.db2.gz	RJUIZZHYPFYAKL-HNNXBMFYSA-N	-2	0	386.444	4.109	20	0		GIADRL
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc1Cl	ZINC000013340210	818210005	/nfs/dbraw/zinc/21/00/05/818210005.db2.gz	PHURRZZLEYZEPL-UHFFFAOYSA-N	-2	0	394.663	4.454	20	0		GIADRL
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl	ZINC000013340394	818210164	/nfs/dbraw/zinc/21/01/64/818210164.db2.gz	ZBINEUZOGZEHHW-UHFFFAOYSA-N	-2	0	394.663	4.454	20	0		GIADRL
O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3cccnc32)cc(Cl)c1Cl	ZINC000058488618	823398908	/nfs/dbraw/zinc/39/89/08/823398908.db2.gz	DQSRPDCBCSVKOO-UHFFFAOYSA-N	-2	0	397.239	4.041	20	0		GIADRL
O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(OC3CCCC3)c2)c1	ZINC000028259915	820321038	/nfs/dbraw/zinc/32/10/38/820321038.db2.gz	XRAPPMFAQOFRSW-UHFFFAOYSA-N	-2	0	395.864	4.160	20	0		GIADRL
Cc1cc(-c2ccc(C(CC(=O)[O-])CC(=O)[O-])cc2C)ccc1O[C@@H]1CCOC1	ZINC000570986394	823115925	/nfs/dbraw/zinc/11/59/25/823115925.db2.gz	BDLOROZQIMXPAR-LJQANCHMSA-N	-2	0	398.455	4.171	20	0		GIADRL
Cc1cc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)sc1C(=O)[O-]	ZINC000058190830	823368278	/nfs/dbraw/zinc/36/82/78/823368278.db2.gz	ZHIATIHVSSSJME-UHFFFAOYSA-N	-2	0	389.454	4.348	20	0		GIADRL
C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1	ZINC000181768461	821984524	/nfs/dbraw/zinc/98/45/24/821984524.db2.gz	CILAFYZEKVOBIS-NSHDSACASA-N	-2	0	387.379	4.084	20	0		GIADRL
O=C(Nc1cccc(Cl)c1[O-])C1(C(=O)Nc2cccc(Cl)c2[O-])CCC1	ZINC000179719842	822534760	/nfs/dbraw/zinc/53/47/60/822534760.db2.gz	VTCXXEXNIBVHEP-UHFFFAOYSA-N	-2	0	395.242	4.152	20	0		GIADRL
O=C([O-])c1cc(OC2CCCCC2)c(F)cc1[N-]S(=O)(=O)c1cccs1	ZINC000462097055	823826989	/nfs/dbraw/zinc/82/69/89/823826989.db2.gz	IARPDYGJUCBTHI-UHFFFAOYSA-N	-2	0	399.465	4.098	20	0		GIADRL
CC[C@@H](C)Oc1ccccc1-c1cccc(-n2[n-]c(C)c(CC(=O)[O-])c2=O)c1	ZINC000574927318	823861960	/nfs/dbraw/zinc/86/19/60/823861960.db2.gz	FAFMGOZJTZCMFB-AUUYWEPGSA-N	-2	0	380.444	4.344	20	0		GIADRL
CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2cccc(C(=O)[O-])c2)C1	ZINC000126294167	823832346	/nfs/dbraw/zinc/83/23/46/823832346.db2.gz	YRQYGRYFZRPDLT-WJDWOHSUSA-N	-2	0	388.423	4.007	20	0		GIADRL
CCn1cc(S(=O)(=O)[N-]c2c(C)cc(Cl)c3ccccc32)cc1C(=O)[O-]	ZINC000462360473	823940780	/nfs/dbraw/zinc/94/07/80/823940780.db2.gz	PNPZZTFONWVPMO-UHFFFAOYSA-N	-2	0	392.864	4.122	20	0		GIADRL
CSc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc1	ZINC000013033073	818201236	/nfs/dbraw/zinc/20/12/36/818201236.db2.gz	DYQGTFCPNXNYRR-UHFFFAOYSA-N	-2	0	392.285	4.214	20	0		GIADRL
CSc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1	ZINC000013264834	818208272	/nfs/dbraw/zinc/20/82/72/818208272.db2.gz	AZXGFXOIOPKSJG-UHFFFAOYSA-N	-2	0	392.285	4.214	20	0		GIADRL
CC(C)Oc1c([N-]S(=O)(=O)c2cccc3ccccc32)cccc1C(=O)[O-]	ZINC000410405786	823488758	/nfs/dbraw/zinc/48/87/58/823488758.db2.gz	ZJVVUKOXMHDPFO-UHFFFAOYSA-N	-2	0	385.441	4.126	20	0		GIADRL
CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)c1	ZINC000184536385	822653180	/nfs/dbraw/zinc/65/31/80/822653180.db2.gz	JONAOTMHWFTPIZ-UHFFFAOYSA-N	-2	0	394.663	4.356	20	0		GIADRL
Cc1c(C(=O)[O-])sc2[nH]c(C(Cl)=Cc3cc(F)c([O-])c(F)c3)nc(=O)c12	ZINC000832853457	601393643	/nfs/dbraw/zinc/39/36/43/601393643.db2.gz	XUBDHKKNMZPPEI-FARCUNLSSA-N	-2	0	398.774	4.124	20	0		GIADRL
O=C([O-])c1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1Cl	ZINC000057177901	823259800	/nfs/dbraw/zinc/25/98/00/823259800.db2.gz	JBLQSTWZPBASED-UHFFFAOYSA-N	-2	0	380.636	4.146	20	0		GIADRL
Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl	ZINC000007057393	817749541	/nfs/dbraw/zinc/74/95/41/817749541.db2.gz	FUHSJTUBZJDKIV-UHFFFAOYSA-N	-2	0	388.272	4.418	20	0		GIADRL
CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000013278868	818208425	/nfs/dbraw/zinc/20/84/25/818208425.db2.gz	KDMWMFXMRFMBRV-UHFFFAOYSA-N	-2	0	392.285	4.214	20	0		GIADRL
N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)c(Cl)c1	ZINC000181119312	821645062	/nfs/dbraw/zinc/64/50/62/821645062.db2.gz	ZACFKSSNHGPGNS-UHFFFAOYSA-N	-2	0	377.636	4.025	20	0		GIADRL
C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1	ZINC000181768477	821984841	/nfs/dbraw/zinc/98/48/41/821984841.db2.gz	CILAFYZEKVOBIS-LLVKDONJSA-N	-2	0	387.379	4.084	20	0		GIADRL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2SC(F)F)c1C	ZINC000008108740	818001769	/nfs/dbraw/zinc/00/17/69/818001769.db2.gz	ODZDDHMPCAPBEE-UHFFFAOYSA-N	-2	0	387.429	4.117	20	0		GIADRL
Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F	ZINC000013059821	818201302	/nfs/dbraw/zinc/20/13/02/818201302.db2.gz	ZHEVKPNKVAOPKJ-UHFFFAOYSA-N	-2	0	393.770	4.166	20	0		GIADRL
CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000013278901	818208983	/nfs/dbraw/zinc/20/89/83/818208983.db2.gz	IJROACMJZJXAMW-UHFFFAOYSA-N	-2	0	392.285	4.214	20	0		GIADRL
Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)cc(Cl)c2ccccc21	ZINC000462352038	823936508	/nfs/dbraw/zinc/93/65/08/823936508.db2.gz	KNCCOTBLAZLUAM-UHFFFAOYSA-N	-2	0	379.821	4.202	20	0		GIADRL
O=C([O-])c1ccc(Oc2ccccc2)c([N-]S(=O)(=O)c2cccc(F)c2)c1	ZINC000060376661	823521564	/nfs/dbraw/zinc/52/15/64/823521564.db2.gz	OTJYNDVKWHQLCK-UHFFFAOYSA-N	-2	0	387.388	4.117	20	0		GIADRL
Cc1cc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)sc1C(=O)[O-]	ZINC000175775525	823037326	/nfs/dbraw/zinc/03/73/26/823037326.db2.gz	GJUYDHOGUAXDNL-UHFFFAOYSA-N	-2	0	393.408	4.050	20	0		GIADRL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)c(Cl)cc1F	ZINC000063876906	823704537	/nfs/dbraw/zinc/70/45/37/823704537.db2.gz	VVMATGSQIDJBKF-UHFFFAOYSA-N	-2	0	398.626	4.285	20	0		GIADRL
Cc1c(C(=O)[O-])sc2[nH]c(C(Cl)=Cc3cc(F)c([O-])c(F)c3)nc(=O)c12	ZINC000832853461	601393763	/nfs/dbraw/zinc/39/37/63/601393763.db2.gz	XUBDHKKNMZPPEI-UQCOIBPSSA-N	-2	0	398.774	4.124	20	0		GIADRL
Cc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2SCCC(=O)[O-])c(Cl)c1	ZINC000460441924	823390742	/nfs/dbraw/zinc/39/07/42/823390742.db2.gz	BXKZGHRLVQRBEN-UHFFFAOYSA-N	-2	0	399.921	4.324	20	0		GIADRL
Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)sc1C(=O)[O-]	ZINC000058518875	823402955	/nfs/dbraw/zinc/40/29/55/823402955.db2.gz	GOFDVOMBWOFDEE-UHFFFAOYSA-N	-2	0	389.454	4.348	20	0		GIADRL
O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)c(Cl)cc1F	ZINC000060211014	823511996	/nfs/dbraw/zinc/51/19/96/823511996.db2.gz	ZNYKMRMPRCWXTK-UHFFFAOYSA-N	-2	0	398.626	4.285	20	0		GIADRL
C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1	ZINC000181772894	821987104	/nfs/dbraw/zinc/98/71/04/821987104.db2.gz	LWTJMZHHTXFQMQ-SNVBAGLBSA-N	-2	0	388.272	4.372	20	0		GIADRL
C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1	ZINC000181772874	821987240	/nfs/dbraw/zinc/98/72/40/821987240.db2.gz	LWTJMZHHTXFQMQ-JTQLQIEISA-N	-2	0	388.272	4.372	20	0		GIADRL
COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)c1	ZINC000184537284	822653345	/nfs/dbraw/zinc/65/33/45/822653345.db2.gz	DIGKLCDACLBBSP-UHFFFAOYSA-N	-2	0	382.652	4.162	20	0		GIADRL
O=C(Nc1cc(Cl)cc(Br)c1[O-])c1cc(F)c([O-])c(F)c1	ZINC000186963491	822988330	/nfs/dbraw/zinc/98/83/30/822988330.db2.gz	VYKYXWNLFIAISC-UHFFFAOYSA-N	-2	0	378.556	4.044	20	0		GIADRL
COc1cc(S(=O)(=O)[N-]c2cccc(C3CCC3)c2)c(Cl)cc1C(=O)[O-]	ZINC000461340505	823620628	/nfs/dbraw/zinc/62/06/28/823620628.db2.gz	MWZXWDQLIXDCNS-UHFFFAOYSA-N	-2	0	395.864	4.115	20	0		GIADRL
O=C([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000013263467	818208315	/nfs/dbraw/zinc/20/83/15/818208315.db2.gz	BYQVDWNVYRXKLO-UHFFFAOYSA-N	-2	0	380.636	4.146	20	0		GIADRL
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F	ZINC000014097337	818222377	/nfs/dbraw/zinc/22/23/77/818222377.db2.gz	MGWLBNSJKZBBGQ-UHFFFAOYSA-N	-2	0	393.770	4.166	20	0		GIADRL
O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)c3cccnc23)c1	ZINC000042676845	821323783	/nfs/dbraw/zinc/32/37/83/821323783.db2.gz	SFXDJVRKMSRHAE-UHFFFAOYSA-N	-2	0	397.239	4.041	20	0		GIADRL
O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)c(F)c(Cl)c1F	ZINC000183041706	822416258	/nfs/dbraw/zinc/41/62/58/822416258.db2.gz	WYVSZMTVHSHWAR-UHFFFAOYSA-N	-2	0	397.733	4.055	20	0		GIADRL
N#Cc1cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)ccc1Cl	ZINC000184537037	822653170	/nfs/dbraw/zinc/65/31/70/822653170.db2.gz	AMBLUJUIBRYPAO-UHFFFAOYSA-N	-2	0	377.636	4.025	20	0		GIADRL
CC[C@H](C)Oc1ccccc1-c1cccc(-n2[n-]c(C)c(CC(=O)[O-])c2=O)c1	ZINC000574927321	823861707	/nfs/dbraw/zinc/86/17/07/823861707.db2.gz	FAFMGOZJTZCMFB-LIRRHRJNSA-N	-2	0	380.444	4.344	20	0		GIADRL
O=S(=O)(Nc1ccc(Oc2ccncc2)cc1)c1cccc(Cl)c1[O-]	ZINC000555530317	452922535	/nfs/dbraw/zinc/92/25/35/452922535.db2.gz	HSCACOKQUHFHIG-UHFFFAOYSA-N	-2	0	376.821	4.034	20	0		GIADRL
Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl	ZINC000013342160	818210025	/nfs/dbraw/zinc/21/00/25/818210025.db2.gz	ZMPMTBXEZNNMSH-UHFFFAOYSA-N	-2	0	394.663	4.454	20	0		GIADRL
CC(C)Oc1c([N-]S(=O)(=O)c2cccc(C(C)C)c2)cccc1C(=O)[O-]	ZINC000410403090	823487994	/nfs/dbraw/zinc/48/79/94/823487994.db2.gz	RGHBICUWEYWNOG-UHFFFAOYSA-N	-2	0	377.462	4.096	20	0		GIADRL
Cc1c(CSC(C)C)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000460843091	823526711	/nfs/dbraw/zinc/52/67/11/823526711.db2.gz	QZMPOEKASVXGCP-UHFFFAOYSA-N	-2	0	385.532	4.197	20	0		GIADRL
Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1	ZINC000461337166	823620058	/nfs/dbraw/zinc/62/00/58/823620058.db2.gz	GHQOOWLXIAKBDE-UHFFFAOYSA-N	-2	0	399.799	4.228	20	0		GIADRL
CC(C)CCn1ncc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])c1C(C)C	ZINC000451035459	452920669	/nfs/dbraw/zinc/92/06/69/452920669.db2.gz	BTJWUCPWGIIOPO-UHFFFAOYSA-N	-2	0	385.917	4.212	20	0		GIADRL
O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1	ZINC000013339960	818209443	/nfs/dbraw/zinc/20/94/43/818209443.db2.gz	XKHYWIGVPPLYTD-UHFFFAOYSA-N	-2	0	393.820	4.154	20	0		GIADRL
Cc1ccc([N-]S(=O)(=O)c2ccccc2Cl)c(SCCC(=O)[O-])c1	ZINC000460454588	823394776	/nfs/dbraw/zinc/39/47/76/823394776.db2.gz	WFCZEFSXVMJKHH-UHFFFAOYSA-N	-2	0	385.894	4.016	20	0		GIADRL
O=S(=O)(CCCOCc1ccccc1)[N-]c1cc(Cl)cc(Cl)c1[O-]	ZINC000572987404	823430484	/nfs/dbraw/zinc/43/04/84/823430484.db2.gz	XHHBWTOSERGDJP-UHFFFAOYSA-N	-2	0	390.288	4.048	20	0		GIADRL
O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)c1	ZINC000028260405	820321285	/nfs/dbraw/zinc/32/12/85/820321285.db2.gz	COZLCJCYEQEWCR-UHFFFAOYSA-N	-2	0	395.864	4.160	20	0		GIADRL
Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cc(Cl)c([O-])c(Cl)c3)cc2)co1	ZINC000184531909	822652052	/nfs/dbraw/zinc/65/20/52/822652052.db2.gz	VSYMPHSCGWHRIT-UHFFFAOYSA-N	-2	0	399.255	4.463	20	0		GIADRL
Cc1cc(C(CC(=O)[O-])CC(=O)[O-])ccc1-c1ccccc1OC[C@@H]1CCOC1	ZINC000571299668	823161987	/nfs/dbraw/zinc/16/19/87/823161987.db2.gz	XGYDOGORKFDLHO-MRXNPFEDSA-N	-2	0	398.455	4.110	20	0		GIADRL
CC(C)Oc1c([N-]S(=O)(=O)c2ccc3ccccc3c2)cccc1C(=O)[O-]	ZINC000410395432	823485605	/nfs/dbraw/zinc/48/56/05/823485605.db2.gz	BSKLWXYJDWZRTJ-UHFFFAOYSA-N	-2	0	385.441	4.126	20	0		GIADRL
O=C([O-])c1ccc(Oc2ccccc2)c([N-]S(=O)(=O)c2cccs2)c1	ZINC000060376644	823521480	/nfs/dbraw/zinc/52/14/80/823521480.db2.gz	ZSTXGQYCTNRYIN-UHFFFAOYSA-N	-2	0	375.427	4.039	20	0		GIADRL
O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1Cl	ZINC000048807578	822683948	/nfs/dbraw/zinc/68/39/48/822683948.db2.gz	MCVJMUVFLAPSPU-UHFFFAOYSA-N	-2	0	386.665	4.207	20	0		GIADRL
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl	ZINC000014097300	818222424	/nfs/dbraw/zinc/22/24/24/818222424.db2.gz	BNHUUPFYPGYUAI-UHFFFAOYSA-N	-2	0	393.770	4.166	20	0		GIADRL
Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)c(SCCC(=O)[O-])c1	ZINC000460447649	823392584	/nfs/dbraw/zinc/39/25/84/823392584.db2.gz	YJZFTJAMRBCUTK-UHFFFAOYSA-N	-2	0	391.923	4.078	20	0		GIADRL
O=C([O-])CCOc1cccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)[O-])c1	ZINC000058464510	823395649	/nfs/dbraw/zinc/39/56/49/823395649.db2.gz	PTXLKCYRRGSZOW-QINSGFPZSA-N	-2	0	389.407	4.273	20	0		GIADRL
C[C@@H](Cc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1)C(=O)[O-]	ZINC000184657860	822671825	/nfs/dbraw/zinc/67/18/25/822671825.db2.gz	OYTGMLQYTHKLNB-JTQLQIEISA-N	-2	0	388.272	4.057	20	0		GIADRL
Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2OC(C)C)cc1C(=O)[O-]	ZINC000573013365	823433802	/nfs/dbraw/zinc/43/38/02/823433802.db2.gz	KBJBNPWNKMYLEC-UHFFFAOYSA-N	-2	0	397.880	4.243	20	0		GIADRL
CC(C)(C)Nc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl	ZINC000410398839	823486496	/nfs/dbraw/zinc/48/64/96/823486496.db2.gz	BNAADCZELXNWFQ-UHFFFAOYSA-N	-2	0	382.869	4.049	20	0		GIADRL
C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)cc1	ZINC000461347377	823621555	/nfs/dbraw/zinc/62/15/55/823621555.db2.gz	QUPAEWWPHFRXSB-VIFPVBQESA-N	-2	0	393.408	4.146	20	0		GIADRL
O=C(Nc1cc(Cl)cc(Br)c1[O-])c1cc(F)c(F)c([O-])c1F	ZINC000183527013	822490249	/nfs/dbraw/zinc/49/02/49/822490249.db2.gz	FAILKNIWMXIBPH-UHFFFAOYSA-N	-2	0	396.546	4.183	20	0		GIADRL
O=S(=O)([N-]c1cc(Cl)c([O-])c(Cl)c1)c1ccccc1OC(F)F	ZINC000184530875	822651920	/nfs/dbraw/zinc/65/19/20/822651920.db2.gz	JPSYNMVDPRODST-UHFFFAOYSA-N	-2	0	384.187	4.101	20	0		GIADRL
O=S(=O)([N-]c1cc(Cl)c([O-])c(Cl)c1)c1ccc(Cl)nc1Cl	ZINC000184531835	822652070	/nfs/dbraw/zinc/65/20/70/822652070.db2.gz	FUYFHXYLXZDXMG-UHFFFAOYSA-N	-2	0	388.059	4.202	20	0		GIADRL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1SC(F)(F)F	ZINC000060738699	823554715	/nfs/dbraw/zinc/55/47/15/823554715.db2.gz	VNRFFLAJGSUYJR-UHFFFAOYSA-N	-2	0	391.392	4.106	20	0		GIADRL
Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1	ZINC000124856132	823631315	/nfs/dbraw/zinc/63/13/15/823631315.db2.gz	WKCYEBMMUOAITG-UHFFFAOYSA-N	-2	0	393.770	4.166	20	0		GIADRL
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1F	ZINC000462068717	823818900	/nfs/dbraw/zinc/81/89/00/823818900.db2.gz	BMKNVJIBSLSBGW-UHFFFAOYSA-N	-2	0	387.388	4.117	20	0		GIADRL
Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c1Cl	ZINC000014097352	818222267	/nfs/dbraw/zinc/22/22/67/818222267.db2.gz	AFKNLVHZAGMELA-UHFFFAOYSA-N	-2	0	388.272	4.418	20	0		GIADRL
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1SC(F)F	ZINC000058518851	823402909	/nfs/dbraw/zinc/40/29/09/823402909.db2.gz	NZUSSDVSIRDALJ-UHFFFAOYSA-N	-2	0	387.429	4.063	20	0		GIADRL
C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)cc1	ZINC000461347376	823621533	/nfs/dbraw/zinc/62/15/33/823621533.db2.gz	QUPAEWWPHFRXSB-SECBINFHSA-N	-2	0	393.408	4.146	20	0		GIADRL
CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])oc3C)ccc21	ZINC000462085297	823823985	/nfs/dbraw/zinc/82/39/85/823823985.db2.gz	SOKJXRXFCQDSFN-UHFFFAOYSA-N	-2	0	398.440	4.215	20	0		GIADRL
Cc1c(CSC(C)C)cccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000460821465	823522011	/nfs/dbraw/zinc/52/20/11/823522011.db2.gz	AAAQKMDGFLPJNS-UHFFFAOYSA-N	-2	0	385.532	4.197	20	0		GIADRL
O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl	ZINC000060707135	823553547	/nfs/dbraw/zinc/55/35/47/823553547.db2.gz	HLNZQCMDUUFDRQ-UHFFFAOYSA-N	-2	0	398.626	4.285	20	0		GIADRL
O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3cccnc32)c(Cl)cc1Cl	ZINC000013030406	818201284	/nfs/dbraw/zinc/20/12/84/818201284.db2.gz	KFKOOXDUHFCRLR-UHFFFAOYSA-N	-2	0	397.239	4.041	20	0		GIADRL
O=C([O-])c1csc(S(=O)(=O)[N-]c2ccccc2SC2CCCC2)c1	ZINC000032094478	820896108	/nfs/dbraw/zinc/89/61/08/820896108.db2.gz	MGDYLSKPVQKRIN-UHFFFAOYSA-N	-2	0	383.516	4.282	20	0		GIADRL
Cc1cc(Cl)c2ccccc2c1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000462384097	823952908	/nfs/dbraw/zinc/95/29/08/823952908.db2.gz	NDNAXIGMXHWYPX-UHFFFAOYSA-N	-2	0	381.862	4.362	20	0		GIADRL
Cc1cc(C(CC(=O)[O-])CC(=O)[O-])ccc1-c1ccccc1OC[C@H]1CCOC1	ZINC000571299667	823162059	/nfs/dbraw/zinc/16/20/59/823162059.db2.gz	XGYDOGORKFDLHO-INIZCTEOSA-N	-2	0	398.455	4.110	20	0		GIADRL
CSc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl	ZINC000003356058	817441825	/nfs/dbraw/zinc/44/18/25/817441825.db2.gz	HOECHEHBLAPWPT-UHFFFAOYSA-N	-2	0	392.285	4.214	20	0		GIADRL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2oc3ccccc3c2c1	ZINC000013358749	818210577	/nfs/dbraw/zinc/21/05/77/818210577.db2.gz	FVBFGIJQWMDLJK-UHFFFAOYSA-N	-2	0	397.408	4.094	20	0		GIADRL
Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)Cc2ccccc2-3)sc1C(=O)[O-]	ZINC000058518823	823402765	/nfs/dbraw/zinc/40/27/65/823402765.db2.gz	UGOGRBMVWIIREE-UHFFFAOYSA-N	-2	0	385.466	4.127	20	0		GIADRL
O=C([O-])c1cc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)ccc1Cl	ZINC000047318115	822564632	/nfs/dbraw/zinc/56/46/32/822564632.db2.gz	SUFHCRGOHIQYHV-UHFFFAOYSA-N	-2	0	380.636	4.146	20	0		GIADRL