smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#CC(=Cc1ccc(-c2nn[n-]n2)s1)c1ccc2ccccc2n1	ZINC000822796016	946180272	/nfs/dbraw/zinc/18/02/72/946180272.db2.gz	JYCLPBMDGNVPSE-FMIVXFBMSA-N	-1	1	330.376	3.541	20	50		EHGDMM
N#CC(=Cc1ccc(-c2nnn[n-]2)o1)c1nc(-c2ccccc2)cs1	ZINC000822796218	946183337	/nfs/dbraw/zinc/18/33/37/946183337.db2.gz	NCVIFOQJIDCYOO-WQLSENKSSA-N	-1	1	346.375	3.647	20	50		EHGDMM
N#CC(=Cc1ccc(-c2nn[n-]n2)o1)c1nc(-c2ccccc2)cs1	ZINC000822796218	946183347	/nfs/dbraw/zinc/18/33/47/946183347.db2.gz	NCVIFOQJIDCYOO-WQLSENKSSA-N	-1	1	346.375	3.647	20	50		EHGDMM
Cc1cccc2nc(C(C#N)=Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)[nH]c21	ZINC000794691458	978817087	/nfs/dbraw/zinc/81/70/87/978817087.db2.gz	OVTFYMRCNVTRNL-LERPTODRSA-N	-1	1	347.374	3.787	20	50		EHGDMM
Cc1cccc2nc(C(C#N)=Cc3ccc(O[C@H](C)C(=O)[O-])cc3)[nH]c21	ZINC000794691462	978816982	/nfs/dbraw/zinc/81/69/82/978816982.db2.gz	OVTFYMRCNVTRNL-QQFZQELXSA-N	-1	1	347.374	3.787	20	50		EHGDMM
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(Cc2occc2C(=O)[O-])C1	ZINC001590451653	990014633	/nfs/dbraw/zinc/01/46/33/990014633.db2.gz	PBEJFSWUOZPZNA-GFCCVEGCSA-N	-1	1	325.481	3.574	20	50		EHGDMM
CC(C)(C)c1ccc(C(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)o2)cc1	ZINC000819958412	945318296	/nfs/dbraw/zinc/31/82/96/945318296.db2.gz	JZOKLJYLYIPKTC-JLHYYAGUSA-N	-1	1	347.378	3.547	20	50		EHGDMM
CC(C)(C)c1ccc(C(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)o2)cc1	ZINC000819958412	945318288	/nfs/dbraw/zinc/31/82/88/945318288.db2.gz	JZOKLJYLYIPKTC-JLHYYAGUSA-N	-1	1	347.378	3.547	20	50		EHGDMM
CC(C)(C)c1ccc(C(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)o2)cc1	ZINC000819958414	945318553	/nfs/dbraw/zinc/31/85/53/945318553.db2.gz	JZOKLJYLYIPKTC-RAXLEYEMSA-N	-1	1	347.378	3.547	20	50		EHGDMM
CC(C)(C)c1ccc(C(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)o2)cc1	ZINC000819958414	945318562	/nfs/dbraw/zinc/31/85/62/945318562.db2.gz	JZOKLJYLYIPKTC-RAXLEYEMSA-N	-1	1	347.378	3.547	20	50		EHGDMM
CC(C)(C)[Si](C)(C)O[C@H]1CCN(Cc2ccc(C(=O)[O-])o2)C1	ZINC001590451945	990016731	/nfs/dbraw/zinc/01/67/31/990016731.db2.gz	WXVSDMDKFGEGCE-ZDUSSCGKSA-N	-1	1	325.481	3.574	20	50		EHGDMM
CCCc1ccc(C(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)s2)cc1	ZINC000821138914	945640168	/nfs/dbraw/zinc/64/01/68/945640168.db2.gz	KKNKJPMSFFLZIS-GXDHUFHOSA-N	-1	1	349.419	3.671	20	50		EHGDMM
CC(C)c1csc(C(C#N)=Cc2ccc(-c3nn[n-]n3)s2)n1	ZINC000820197200	945371864	/nfs/dbraw/zinc/37/18/64/945371864.db2.gz	HIMWMTFWBSSSHL-UITAMQMPSA-N	-1	1	328.426	3.572	20	50		EHGDMM
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(Cc2cc(C(=O)[O-])co2)C1	ZINC001590451502	990013103	/nfs/dbraw/zinc/01/31/03/990013103.db2.gz	MGXXDOFJUSCQGT-CYBMUJFWSA-N	-1	1	325.481	3.574	20	50		EHGDMM
N#CC(=Cc1ccc(-c2nn[n-]n2)s1)c1nc2ccccc2s1	ZINC000822796474	946184935	/nfs/dbraw/zinc/18/49/35/946184935.db2.gz	SEBXVAOAUOUIIY-CLFYSBASSA-N	-1	1	336.405	3.602	20	50		EHGDMM
CN(CCO[Si](C)(C)C(C)(C)C)Cc1csc(C(=O)[O-])c1	ZINC001598497715	992386281	/nfs/dbraw/zinc/38/62/81/992386281.db2.gz	CPXRJOYZGGNGFS-UHFFFAOYSA-N	-1	1	329.538	3.900	20	50		EHGDMM
N#CC(=Cc1ccc(-c2nnn[n-]2)o1)c1nc(-c2ccccc2)cs1	ZINC000822796219	946183608	/nfs/dbraw/zinc/18/36/08/946183608.db2.gz	NCVIFOQJIDCYOO-XYOKQWHBSA-N	-1	1	346.375	3.647	20	50		EHGDMM
N#CC(=Cc1ccc(-c2nn[n-]n2)o1)c1nc(-c2ccccc2)cs1	ZINC000822796219	946183615	/nfs/dbraw/zinc/18/36/15/946183615.db2.gz	NCVIFOQJIDCYOO-XYOKQWHBSA-N	-1	1	346.375	3.647	20	50		EHGDMM
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(Cc2cc(C(=O)[O-])co2)C1	ZINC001590451187	990012108	/nfs/dbraw/zinc/01/21/08/990012108.db2.gz	FAACYHJHZVSANK-AWEZNQCLSA-N	-1	1	339.508	3.964	20	50		EHGDMM
CC(C)(C)[Si](C)(C)O[C@H]1CCN(Cc2occc2C(=O)[O-])C1	ZINC001590451655	990014281	/nfs/dbraw/zinc/01/42/81/990014281.db2.gz	PBEJFSWUOZPZNA-LBPRGKRZSA-N	-1	1	325.481	3.574	20	50		EHGDMM
Cc1cccc2nc(C(C#N)=Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)[nH]c21	ZINC000794691460	978816696	/nfs/dbraw/zinc/81/66/96/978816696.db2.gz	OVTFYMRCNVTRNL-OJNRTJSBSA-N	-1	1	347.374	3.787	20	50		EHGDMM
Cc1cccc2nc(C(C#N)=Cc3ccc(O[C@H](C)C(=O)[O-])cc3)[nH]c21	ZINC000794691459	978817007	/nfs/dbraw/zinc/81/70/07/978817007.db2.gz	OVTFYMRCNVTRNL-NWFCWYBLSA-N	-1	1	347.374	3.787	20	50		EHGDMM
CCCc1ccc(C(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)s2)cc1	ZINC000821138915	945640853	/nfs/dbraw/zinc/64/08/53/945640853.db2.gz	KKNKJPMSFFLZIS-UVTDQMKNSA-N	-1	1	349.419	3.671	20	50		EHGDMM
Cc1cccc2nc(C(C#N)=Cc3cccc4c3N(C(=O)[O-])CC4)[nH]c21	ZINC000830531328	603809566	/nfs/dbraw/zinc/80/95/66/603809566.db2.gz	FCGGGLLNPNPLLK-GDNBJRDFSA-N	-1	1	344.374	3.976	20	50		EHGDMM
N#CC(=Cc1ccc(-c2nn[n-]n2)s1)c1ccc2ccccc2n1	ZINC000822796017	946178929	/nfs/dbraw/zinc/17/89/29/946178929.db2.gz	JYCLPBMDGNVPSE-XFXZXTDPSA-N	-1	1	330.376	3.541	20	50		EHGDMM
CN(CCO[Si](C)(C)C(C)(C)C)Cc1ccsc1C(=O)[O-]	ZINC001598498189	992391631	/nfs/dbraw/zinc/39/16/31/992391631.db2.gz	QPVQVBBMEDMGGX-UHFFFAOYSA-N	-1	1	329.538	3.900	20	50		EHGDMM
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(Cc2ccc(C(=O)[O-])o2)C1	ZINC001590451944	990016345	/nfs/dbraw/zinc/01/63/45/990016345.db2.gz	WXVSDMDKFGEGCE-CYBMUJFWSA-N	-1	1	325.481	3.574	20	50		EHGDMM
N#CC(=Cc1ccc(-c2nn[n-]n2)s1)c1nc2ccccc2s1	ZINC000822796475	946184824	/nfs/dbraw/zinc/18/48/24/946184824.db2.gz	SEBXVAOAUOUIIY-VQHVLOKHSA-N	-1	1	336.405	3.602	20	50		EHGDMM
CC(C)(C)[Si](C)(C)O[C@H]1CCN(Cc2cc(C(=O)[O-])co2)C1	ZINC001590451503	990013270	/nfs/dbraw/zinc/01/32/70/990013270.db2.gz	MGXXDOFJUSCQGT-ZDUSSCGKSA-N	-1	1	325.481	3.574	20	50		EHGDMM
Cc1cccc2nc(C(C#N)=Cc3cccc4c3N(C(=O)[O-])CC4)[nH]c21	ZINC000830531329	603809618	/nfs/dbraw/zinc/80/96/18/603809618.db2.gz	FCGGGLLNPNPLLK-XNTDXEJSSA-N	-1	1	344.374	3.976	20	50		EHGDMM
CC(C)c1csc(C(C#N)=Cc2ccc(-c3nn[n-]n3)s2)n1	ZINC000820197203	945372170	/nfs/dbraw/zinc/37/21/70/945372170.db2.gz	HIMWMTFWBSSSHL-WEVVVXLNSA-N	-1	1	328.426	3.572	20	50		EHGDMM
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(Cc2cc(C(=O)[O-])co2)C1	ZINC001590451188	990011943	/nfs/dbraw/zinc/01/19/43/990011943.db2.gz	FAACYHJHZVSANK-CQSZACIVSA-N	-1	1	339.508	3.964	20	50		EHGDMM