smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1cn(C2CN(C(=O)Cc3ccc([O-])c(Cl)c3)C2)c(=O)[n-]c1=O	ZINC001181001805	851083892	/nfs/dbraw/zinc/08/38/92/851083892.db2.gz	XMUJBVUZXOMWEU-UHFFFAOYSA-N	-2	1	360.757	0.806	10	30		FCEEML
N#C[C@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-]	ZINC001140739698	849368768	/nfs/dbraw/zinc/36/87/68/849368768.db2.gz	PVOUDDTURGCROW-SNVBAGLBSA-N	-2	1	367.408	0.869	10	30		FCEEML
C=CC[C@H]([N-]S(=O)(=O)c1nc(C)n(C)c1Br)C(=O)[O-]	ZINC000287135688	489464297	/nfs/dbraw/zinc/46/42/97/489464297.db2.gz	HCSRWHVHIZQUOH-ZETCQYMHSA-N	-2	1	352.210	0.799	10	30		FCEEML
C=CCN1CC[C@H](N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])C1=O	ZINC000852735120	671521082	/nfs/dbraw/zinc/52/10/82/671521082.db2.gz	GELZQFRMQOCXCC-GARJFASQSA-N	-2	1	363.336	0.369	10	30		FCEEML
C=CC[C@@H]([N-]S(=O)(=O)c1nc(C)n(C)c1Br)C(=O)[O-]	ZINC000287135685	489464118	/nfs/dbraw/zinc/46/41/18/489464118.db2.gz	HCSRWHVHIZQUOH-SSDOTTSWSA-N	-2	1	352.210	0.799	10	30		FCEEML
C#C[C@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-]	ZINC001141496050	849399390	/nfs/dbraw/zinc/39/93/90/849399390.db2.gz	LSEHLOPLRWAQNR-SNVBAGLBSA-N	-2	1	366.420	0.978	10	30		FCEEML
C#C[C@@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-]	ZINC001141496049	849399414	/nfs/dbraw/zinc/39/94/14/849399414.db2.gz	LSEHLOPLRWAQNR-JTQLQIEISA-N	-2	1	366.420	0.978	10	30		FCEEML
N#Cc1cn(CCC(=O)NCCc2c(F)cc([O-])cc2F)c(=O)[n-]c1=O	ZINC001635732021	1282428397	/nfs/dbraw/zinc/42/83/97/1282428397.db2.gz	CBTSNBQPIUOBHQ-UHFFFAOYSA-N	-2	1	364.308	0.553	10	30		FCEEML
O=C1CC=Cc2cc3cc(S(=O)(=O)[O-])c(S(=O)(=O)[O-])c(O)c3cc21	ZINC000060047790	488287587	/nfs/dbraw/zinc/28/75/87/488287587.db2.gz	BZRLAZPWICGOFW-JTQLQIEISA-N	-2	1	370.360	0.494	10	30		FCEEML
Cc1cc(C=O)c([O-])c(C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)c1	ZINC001181000458	1206403052	/nfs/dbraw/zinc/40/30/52/1206403052.db2.gz	OFHNQYKCXRYCTE-UHFFFAOYSA-N	-2	1	354.322	0.344	10	30		FCEEML
Cc1cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000746248387	1198975892	/nfs/dbraw/zinc/97/58/92/1198975892.db2.gz	SUESMQSFZLWVNZ-LLVKDONJSA-N	-2	1	354.370	0.557	10	30		FCEEML
C=CCN1CC[C@H](N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])C1=O	ZINC000852735119	671521287	/nfs/dbraw/zinc/52/12/87/671521287.db2.gz	GELZQFRMQOCXCC-DCAQKATOSA-N	-2	1	363.336	0.369	10	30		FCEEML
Cc1cc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000746248388	1198975180	/nfs/dbraw/zinc/97/51/80/1198975180.db2.gz	SUESMQSFZLWVNZ-NSHDSACASA-N	-2	1	354.370	0.557	10	30		FCEEML
C#C[C@H](CO)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001637747380	1282618431	/nfs/dbraw/zinc/61/84/31/1282618431.db2.gz	YIYHJFGOBLVDAG-SNVBAGLBSA-N	-2	1	366.420	0.978	10	30		FCEEML
O=C1[N-]C(=O)C(=N[N-]c2nc(C(F)(F)F)nc3ccccc32)C(=O)N1	ZINC000814216212	669878314	/nfs/dbraw/zinc/87/83/14/669878314.db2.gz	BZZLYPKWIADBMN-UHFFFAOYSA-N	-2	1	352.232	0.783	10	30		FCEEML
N#C[C@@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-]	ZINC001140739697	849368777	/nfs/dbraw/zinc/36/87/77/849368777.db2.gz	PVOUDDTURGCROW-JTQLQIEISA-N	-2	1	367.408	0.869	10	30		FCEEML
C=CCN1CC[C@H](N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])C1=O	ZINC000852735121	671521262	/nfs/dbraw/zinc/52/12/62/671521262.db2.gz	GELZQFRMQOCXCC-OUAUKWLOSA-N	-2	1	363.336	0.369	10	30		FCEEML
N#C[C@H](CO)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001627543500	1290469881	/nfs/dbraw/zinc/46/98/81/1290469881.db2.gz	LGLUTSILFQWBFK-SNVBAGLBSA-N	-2	1	367.408	0.869	10	30		FCEEML
N#Cc1cn(CCNC(=O)c2ccc(C(F)(F)F)c([O-])c2)c(=O)[n-]c1=O	ZINC001148392919	1204830081	/nfs/dbraw/zinc/83/00/81/1204830081.db2.gz	NRDRIGAPXVZPTA-UHFFFAOYSA-N	-2	1	368.271	0.975	10	30		FCEEML
C#C[C@@H](CO)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001637747379	1282618745	/nfs/dbraw/zinc/61/87/45/1282618745.db2.gz	YIYHJFGOBLVDAG-JTQLQIEISA-N	-2	1	366.420	0.978	10	30		FCEEML
O=C1CC=Cc2cc3cc(S(=O)(=O)[O-])c(S(=O)(=O)[O-])c(O)c3cc21	ZINC000100051522	222232496	/nfs/dbraw/zinc/23/24/96/222232496.db2.gz	BZRLAZPWICGOFW-SNVBAGLBSA-N	-2	1	370.360	0.494	10	30		FCEEML
C=CCN1CC[C@H](N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])C1=O	ZINC000852735122	671521320	/nfs/dbraw/zinc/52/13/20/671521320.db2.gz	GELZQFRMQOCXCC-VWYCJHECSA-N	-2	1	363.336	0.369	10	30		FCEEML
N#C[C@@H](CO)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001627543499	1290469356	/nfs/dbraw/zinc/46/93/56/1290469356.db2.gz	LGLUTSILFQWBFK-JTQLQIEISA-N	-2	1	367.408	0.869	10	30		FCEEML