smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c2cc(C)ccc2[nH]c1C(=O)Nc1n[nH]c(C(F)(F)F)n1	ZINC000160806211	432742606	/nfs/dbraw/zinc/74/26/06/432742606.db2.gz	HQSKMGWUDKAVMG-UHFFFAOYSA-N	-1	0	323.278	3.174	10	70		DGIERM
O=C(NCc1ccc(O)c(F)c1)NC[C@H]1C[C@@H]1c1ccccc1	ZINC000159656164	546055436	/nfs/dbraw/zinc/05/54/36/546055436.db2.gz	IIGIQEDDCWYYDU-HUUCEWRRSA-N	-1	0	314.360	3.134	10	70		DGIERM
Cc1cc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)ccn1	ZINC000159715276	432694073	/nfs/dbraw/zinc/69/40/73/432694073.db2.gz	ZZIOIEVZBLQUIA-UHFFFAOYSA-N	-1	0	314.769	3.292	10	70		DGIERM
Cc1cc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)c(C)s1	ZINC000161301162	228251978	/nfs/dbraw/zinc/25/19/78/228251978.db2.gz	HSSROHMFCWTQFF-UHFFFAOYSA-N	-1	0	301.364	3.010	10	70		DGIERM
Cc1cccc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)n1	ZINC000159656389	432692064	/nfs/dbraw/zinc/69/20/64/432692064.db2.gz	QAAPFNLRNQKELE-UHFFFAOYSA-N	-1	0	314.769	3.292	10	70		DGIERM
CC(C)c1cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)n[nH]1	ZINC000160655126	432734494	/nfs/dbraw/zinc/73/44/94/432734494.db2.gz	FJOFCPYJEAHWTK-UHFFFAOYSA-N	-1	0	307.419	3.457	10	70		DGIERM
CCc1onc(C)c1C(=O)Nc1nc(-c2cccs2)ns1	ZINC000159581402	432689253	/nfs/dbraw/zinc/68/92/53/432689253.db2.gz	AFXYNFIGFOSPMW-UHFFFAOYSA-N	-1	0	320.399	3.378	10	70		DGIERM
Cc1cnc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)s1	ZINC000159496704	292793832	/nfs/dbraw/zinc/79/38/32/292793832.db2.gz	OCCVGFCRINUROU-UHFFFAOYSA-N	-1	0	320.798	3.353	10	70		DGIERM
Cc1ccc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)c(Cl)c1	ZINC000161283994	534212286	/nfs/dbraw/zinc/21/22/86/534212286.db2.gz	GXISDLXFONQLOL-UHFFFAOYSA-N	-1	0	315.753	3.294	10	70		DGIERM
COc1ccsc1S(=O)(=O)[N-]c1nc(C(C)C)cs1	ZINC000159542450	432686413	/nfs/dbraw/zinc/68/64/13/432686413.db2.gz	LGRUOZMTWIMJEP-UHFFFAOYSA-N	-1	0	318.445	3.137	10	70		DGIERM
Cc1ccc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)nc1	ZINC000159656987	432692541	/nfs/dbraw/zinc/69/25/41/432692541.db2.gz	QKNOURXQTXNZIG-UHFFFAOYSA-N	-1	0	314.769	3.292	10	70		DGIERM
Cc1cc(S(=O)(=O)[N-]c2nccs2)c(Cl)cc1F	ZINC000159473682	432685200	/nfs/dbraw/zinc/68/52/00/432685200.db2.gz	ZKLDUEPQNKQFIO-UHFFFAOYSA-N	-1	0	306.771	3.045	10	70		DGIERM
CC(C)c1cc([N-]S(=O)(=O)c2cccc3ccccc32)n[nH]1	ZINC000160643956	528052510	/nfs/dbraw/zinc/05/25/10/528052510.db2.gz	VDRJXVQETWBZTM-UHFFFAOYSA-N	-1	0	315.398	3.487	10	70		DGIERM
CC(C)c1csc(CNC(=O)c2c([O-])cc(F)cc2F)n1	ZINC000160575106	546060706	/nfs/dbraw/zinc/06/07/06/546060706.db2.gz	SGYLPNOCCRPBHP-UHFFFAOYSA-N	-1	0	312.341	3.180	10	70		DGIERM
Cc1ccncc1[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl	ZINC000159817251	432697390	/nfs/dbraw/zinc/69/73/90/432697390.db2.gz	RUECDUGDMNFYJX-UHFFFAOYSA-N	-1	0	314.769	3.292	10	70		DGIERM
COc1ccsc1S(=O)(=O)[N-]c1ccc2oc(C)nc2c1	ZINC000159647538	292797631	/nfs/dbraw/zinc/79/76/31/292797631.db2.gz	SMGSLTZLWASBEX-UHFFFAOYSA-N	-1	0	324.383	3.007	10	70		DGIERM
CCc1noc(C)c1[N-]S(=O)(=O)c1ccc(CC)c(CC)c1	ZINC000160325762	292812195	/nfs/dbraw/zinc/81/21/95/292812195.db2.gz	JLQYUSVFMNGPSR-UHFFFAOYSA-N	-1	0	322.430	3.471	10	70		DGIERM
Cc1cc(S(=O)(=O)[N-]c2ncccc2C)c(Cl)cc1F	ZINC000159653434	432692744	/nfs/dbraw/zinc/69/27/44/432692744.db2.gz	ORUDOXHETXDKPA-UHFFFAOYSA-N	-1	0	314.769	3.292	10	70		DGIERM
O=C(NCCc1cc2ccccc2[nH]1)c1c([O-])cc(F)cc1F	ZINC000159683778	546055358	/nfs/dbraw/zinc/05/53/58/546055358.db2.gz	MZLQCZFZPGFMFL-UHFFFAOYSA-N	-1	0	316.307	3.124	10	70		DGIERM
Cc1csc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)n1	ZINC000159479249	432685127	/nfs/dbraw/zinc/68/51/27/432685127.db2.gz	JNBHHFDHLIIJHI-UHFFFAOYSA-N	-1	0	320.798	3.353	10	70		DGIERM