smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)Cc1csc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)n1	ZINC000159478115	565208019	/nfs/dbraw/zinc/20/80/19/565208019.db2.gz	WWJAEUZFSIAKQJ-UHFFFAOYSA-N	-1	0	392.861	3.150	10	70		GGIERM
Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)nc2)c(Cl)cc1F	ZINC000159651159	565214004	/nfs/dbraw/zinc/21/40/04/565214004.db2.gz	AYJHYFJPEFXORC-UHFFFAOYSA-N	-1	0	383.832	3.332	10	70		GGIERM
CCCCc1cc([N-]S(=O)(=O)c2cc(Br)ccc2OC)[nH]n1	ZINC000159956936	565225109	/nfs/dbraw/zinc/22/51/09/565225109.db2.gz	DBRQMUHLHGTIOD-UHFFFAOYSA-N	-1	0	388.287	3.324	10	70		GGIERM
Cc1ccc(Br)cc1NC(=O)CNC(=O)c1c([O-])cc(F)cc1F	ZINC000160318702	565240133	/nfs/dbraw/zinc/24/01/33/565240133.db2.gz	TYSJYHKVQJPKEB-UHFFFAOYSA-N	-1	0	399.191	3.110	10	70		GGIERM
CC(C)(C)c1cnc(S([O-])=CC(=O)N2CCC(c3ccccc3)=N2)s1	ZINC000160570127	565250840	/nfs/dbraw/zinc/25/08/40/565250840.db2.gz	STSYXYRQMZQMHS-RUZDIDTESA-N	-1	0	375.519	3.185	10	70		GGIERM
COc1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3Cl)c2C)c(C)n1	ZINC000160678771	570341017	/nfs/dbraw/zinc/34/10/17/570341017.db2.gz	URJUMNQGKGVASU-UHFFFAOYSA-N	-1	0	392.868	3.347	10	70		GGIERM
CCOC(=O)c1csc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)n1	ZINC000159483561	565208282	/nfs/dbraw/zinc/20/82/82/565208282.db2.gz	KBEPVDLRZKFBEB-UHFFFAOYSA-N	-1	0	378.834	3.222	10	70		GGIERM
CCCCn1ncc([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)c1C	ZINC000160183456	565233839	/nfs/dbraw/zinc/23/38/39/565233839.db2.gz	RKBNGZHJDYBWAI-UHFFFAOYSA-N	-1	0	385.873	3.217	10	70		GGIERM
C[C@H]1CN(C(=O)c2cc(Br)c([O-])c(Br)c2)C[C@H](C)O1	ZINC000160651312	565254548	/nfs/dbraw/zinc/25/45/48/565254548.db2.gz	FKAUNQLZETYBSD-YUMQZZPRSA-N	-1	0	393.075	3.167	10	70		GGIERM
CCc1noc(C)c1[N-]S(=O)(=O)c1cc(F)c(Br)cc1F	ZINC000160325608	565239800	/nfs/dbraw/zinc/23/98/00/565239800.db2.gz	RSRQQIDGLILROX-UHFFFAOYSA-N	-1	0	381.198	3.387	10	70		GGIERM
COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H](C)c1ccc(Cl)c(Cl)c1	ZINC000160793784	565259290	/nfs/dbraw/zinc/25/92/90/565259290.db2.gz	BIRRQGDCUICGJK-ZETCQYMHSA-N	-1	0	395.289	3.276	10	70		GGIERM
Cc1cc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)n(-c2ccccn2)n1	ZINC000159489292	565208193	/nfs/dbraw/zinc/20/81/93/565208193.db2.gz	LPGMTXRNQAVXCZ-UHFFFAOYSA-N	-1	0	380.832	3.477	10	70		GGIERM
COC(=O)c1sc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)nc1C	ZINC000159541116	565209548	/nfs/dbraw/zinc/20/95/48/565209548.db2.gz	PFNWCHPITPSXHG-UHFFFAOYSA-N	-1	0	378.834	3.140	10	70		GGIERM
CCCn1nccc1[N-]S(=O)(=O)c1ccc(OCC)c(Br)c1	ZINC000160624202	565253035	/nfs/dbraw/zinc/25/30/35/565253035.db2.gz	MYOMJFPUWNFNRT-UHFFFAOYSA-N	-1	0	388.287	3.255	10	70		GGIERM
CC(C)c1ccc(/C=C/CC(=O)Nc2nnc([N-]S(C)(=O)=O)s2)cc1	ZINC000160926341	565264269	/nfs/dbraw/zinc/26/42/69/565264269.db2.gz	DXOOXQXJSNJWNB-SNAWJCMRSA-N	-1	0	380.495	3.075	10	70		GGIERM
COC(=O)c1ncsc1S(=O)(=O)[N-]C1(c2ccccc2)CCCCC1	ZINC000161420863	565284438	/nfs/dbraw/zinc/28/44/38/565284438.db2.gz	XBNQATUTDYJIRG-UHFFFAOYSA-N	-1	0	380.491	3.068	10	70		GGIERM
CC(C)(C)c1cnc(S([O-])=CC(=O)N2CCC(c3ccccc3)=N2)s1	ZINC000160570255	565250357	/nfs/dbraw/zinc/25/03/57/565250357.db2.gz	STSYXYRQMZQMHS-VWLOTQADSA-N	-1	0	375.519	3.185	10	70		GGIERM
CC1(C)c2cc(S(=O)(=O)[N-]c3cc(Cl)c(Cl)cn3)ccc2NC1=O	ZINC000159756513	565217727	/nfs/dbraw/zinc/21/77/27/565217727.db2.gz	ZMPROYOBRIKTRB-UHFFFAOYSA-N	-1	0	386.260	3.419	10	70		GGIERM
CCCCn1ncc([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2Cl)c1C	ZINC000160149802	565233042	/nfs/dbraw/zinc/23/30/42/565233042.db2.gz	DCXGCKFLCLHWGF-UHFFFAOYSA-N	-1	0	385.873	3.232	10	70		GGIERM
Cc1cc(S(=O)(=O)[N-]c2n[nH]cc2-c2ccc3c(c2)OCO3)c(C)s1	ZINC000160530683	565248979	/nfs/dbraw/zinc/24/89/79/565248979.db2.gz	FSDZDURHGBLZTF-UHFFFAOYSA-N	-1	0	377.447	3.285	10	70		GGIERM
C[C@@H]1CN(C(=O)c2cc(Br)c([O-])c(Br)c2)C[C@@H](C)O1	ZINC000160651436	565254489	/nfs/dbraw/zinc/25/44/89/565254489.db2.gz	FKAUNQLZETYBSD-HTQZYQBOSA-N	-1	0	393.075	3.167	10	70		GGIERM
COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cn1	ZINC000160961690	565266542	/nfs/dbraw/zinc/26/65/42/565266542.db2.gz	TZEANQSUKRQAHN-UHFFFAOYSA-N	-1	0	379.196	3.115	10	70		GGIERM
COc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(O)cc(F)c1	ZINC000161301026	565280245	/nfs/dbraw/zinc/28/02/45/565280245.db2.gz	FATVPAIBSUQQLJ-UHFFFAOYSA-N	-1	0	376.203	3.103	10	70		GGIERM