smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C/C(=N\N=C1/NC(=O)C(CC(=O)Nc2ccc(C(=O)[O-])cc2)S1)c1cccs1	ZINC000020157615	558342287	/nfs/dbraw/zinc/34/22/87/558342287.db2.gz	MLLRWUGUFWVNOU-YVJZOELXSA-N	-1	2	416.484	2.787	40	30		HFEBLM
C/C(=N\N=C1/NC(=O)[C@@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)S1)c1cccs1	ZINC000020157615	558342289	/nfs/dbraw/zinc/34/22/89/558342289.db2.gz	MLLRWUGUFWVNOU-YVJZOELXSA-N	-1	2	416.484	2.787	40	30		HFEBLM
COc1cccc(/N=C2/SC(CC(=O)Nc3ccc(C(=O)[O-])cc3)C(=O)N2C)c1	ZINC000101580395	559147450	/nfs/dbraw/zinc/14/74/50/559147450.db2.gz	ABHDWBGGZYBVPT-UMIVRTMYSA-N	-1	2	413.455	2.984	40	30		HFEBLM
COc1cccc(/N=C2/S[C@H](CC(=O)Nc3ccc(C(=O)[O-])cc3)C(=O)N2C)c1	ZINC000101580395	559147452	/nfs/dbraw/zinc/14/74/52/559147452.db2.gz	ABHDWBGGZYBVPT-UMIVRTMYSA-N	-1	2	413.455	2.984	40	30		HFEBLM
C/C(=N\N=C1/NC(=O)C(CC(=O)Nc2ccc(C(=O)[O-])cc2)S1)c1cccs1	ZINC000020157618	518459022	/nfs/dbraw/zinc/45/90/22/518459022.db2.gz	MLLRWUGUFWVNOU-MNUWJXFPSA-N	-1	2	416.484	2.787	40	30		HFEBLM
C/C(=N\N=C1/NC(=O)[C@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)S1)c1cccs1	ZINC000020157618	518459029	/nfs/dbraw/zinc/45/90/29/518459029.db2.gz	MLLRWUGUFWVNOU-MNUWJXFPSA-N	-1	2	416.484	2.787	40	30		HFEBLM
C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1Cl	ZINC000408943919	560656644	/nfs/dbraw/zinc/65/66/44/560656644.db2.gz	SSLPIWLNXFAYKI-XNTDXEJSSA-N	-1	2	424.796	2.717	40	30		HFEBLM
O=C([O-])CN1C2=C(C(=O)CCC2)C(c2ccc(O)c([N+](=O)[O-])c2)C2=C1CCCC2=O	ZINC000409042456	560669084	/nfs/dbraw/zinc/66/90/84/560669084.db2.gz	KWVBOAIRIQCGMO-UHFFFAOYSA-N	-1	2	412.398	2.798	40	30		HFEBLM
COc1cccc(/N=C2/SC(CC(=O)Nc3ccc(C(=O)[O-])cc3)C(=O)N2C)c1	ZINC000101580384	559147426	/nfs/dbraw/zinc/14/74/26/559147426.db2.gz	ABHDWBGGZYBVPT-JDAKFOBDSA-N	-1	2	413.455	2.984	40	30		HFEBLM
COc1cccc(/N=C2/S[C@@H](CC(=O)Nc3ccc(C(=O)[O-])cc3)C(=O)N2C)c1	ZINC000101580384	559147428	/nfs/dbraw/zinc/14/74/28/559147428.db2.gz	ABHDWBGGZYBVPT-JDAKFOBDSA-N	-1	2	413.455	2.984	40	30		HFEBLM
C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000408777345	560639513	/nfs/dbraw/zinc/63/95/13/560639513.db2.gz	XXEXNQXGXSUVMS-LDADJPATSA-N	-1	2	420.421	2.853	40	30		HFEBLM
COc1ccccc1/N=C1\SC(CC(=O)Nc2ccc(C(=O)[O-])cc2)C(=O)N1C	ZINC000004957294	560617469	/nfs/dbraw/zinc/61/74/69/560617469.db2.gz	OHLIJWCODYIMHI-BLRPHQBRSA-N	-1	2	413.455	2.984	40	30		HFEBLM
COc1ccccc1/N=C1\S[C@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)C(=O)N1C	ZINC000004957294	560617471	/nfs/dbraw/zinc/61/74/71/560617471.db2.gz	OHLIJWCODYIMHI-BLRPHQBRSA-N	-1	2	413.455	2.984	40	30		HFEBLM
COC(=O)c1ccccc1C1=C([O-])C(=O)C(c2ccccc2C(=O)OC)C(=O)C1=O	ZINC000104181708	559158757	/nfs/dbraw/zinc/15/87/57/559158757.db2.gz	NKTWMNPYKQOAMM-UHFFFAOYSA-N	-1	2	408.362	2.650	40	30		HFEBLM
COc1ccccc1/N=C1\SC(CC(=O)Nc2ccc(C(=O)[O-])cc2)C(=O)N1C	ZINC000004957293	560617406	/nfs/dbraw/zinc/61/74/06/560617406.db2.gz	OHLIJWCODYIMHI-HZSHHLKBSA-N	-1	2	413.455	2.984	40	30		HFEBLM
COc1ccccc1/N=C1\S[C@@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)C(=O)N1C	ZINC000004957293	560617408	/nfs/dbraw/zinc/61/74/08/560617408.db2.gz	OHLIJWCODYIMHI-HZSHHLKBSA-N	-1	2	413.455	2.984	40	30		HFEBLM
CCc1nnc(C2=C(O)C(=Cc3ccc(OCC(=O)[O-])c(OC)c3)SC2=N)s1	ZINC000107756355	569362851	/nfs/dbraw/zinc/36/28/51/569362851.db2.gz	GBGCOLZVUBBKSE-MGKJZFSOSA-N	-1	2	419.484	2.990	40	30		HFEBLM