smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc2c(=O)n3[n-]c(C(=O)Nc4nn[n-]n4)cc3nc12	ZINC000027851833	202159923	/nfs/dbraw/zinc/15/99/23/202159923.db2.gz	QFQADWAELYGGTB-UHFFFAOYSA-N	-2	1	326.276	0.362	1	0		ECAFML
O=C([O-])CN1CCC[C@@H](N[C@H](CCc2ccccc2)C(=O)[O-])C1=O	ZINC000026577061	202145274	/nfs/dbraw/zinc/14/52/74/202145274.db2.gz	HQZJWSMNDGZOHU-ZIAGYGMSSA-N	-2	1	334.372	0.738	1	0		ECAFML
Nc1ncnc2c1ncn2[C@@H]1O[C@H](OCP(=O)([O-])[O-])C[C@@H]1F	ZINC000029039084	202180511	/nfs/dbraw/zinc/18/05/11/202180511.db2.gz	PPNFMHOPVHTTMD-JFWOZONXSA-N	-2	1	333.216	0.143	1	0		ECAFML
C[C@@H](C(=O)[O-])[C@H]1Cc2c(cc3c(c2O)C(=O)N([C@H](C)C(=O)[O-])C3=O)O1	ZINC000098084781	219080969	/nfs/dbraw/zinc/08/09/69/219080969.db2.gz	VQOAQUIDELNUAB-HCVRKRLWSA-N	-2	1	349.295	0.486	1	0		ECAFML
Cc1cc2nc(SCc3[nH]c(=O)[n-]c(=O)c3Cl)nc(=O)n2[n-]1	ZINC000103288886	219284926	/nfs/dbraw/zinc/28/49/26/219284926.db2.gz	HFJSJCMMILMKBW-UHFFFAOYSA-N	-2	1	340.752	0.048	1	0		ECAFML
COc1cc2nc(=S)n3c([O-])c(CC(=O)[O-])[nH]c3c2cc1OC	ZINC000049669337	214026041	/nfs/dbraw/zinc/02/60/41/214026041.db2.gz	NDOURUDXRBQPFM-QMMMGPOBSA-N	-2	1	335.341	0.846	1	0		ECAFML
COc1cc2nc(=S)n3c([O-])c(CC(=O)[O-])[nH]c3c2cc1OC	ZINC000049669335	214026386	/nfs/dbraw/zinc/02/63/86/214026386.db2.gz	NDOURUDXRBQPFM-MRVPVSSYSA-N	-2	1	335.341	0.846	1	0		ECAFML
O=C([O-])CN1CCC[C@H](N[C@H](CCc2ccccc2)C(=O)[O-])C1=O	ZINC000026577062	212526761	/nfs/dbraw/zinc/52/67/61/212526761.db2.gz	HQZJWSMNDGZOHU-UONOGXRCSA-N	-2	1	334.372	0.738	1	0		ECAFML
Cc1ncc(COP(=O)([O-])[O-])c(C[NH2+]CCCC(=O)[O-])c1[O-]	ZINC000013521244	560218442	/nfs/dbraw/zinc/21/84/42/560218442.db2.gz	DOHWOHSLOVXAFH-UHFFFAOYSA-N	-3	1	334.265	0.659	1	0	in-vitro	ECAFML
C[C@@H](C(=O)[O-])[C@@H]1Cc2c(cc3c(c2O)C(=O)N(CC(=O)[O-])C3=O)O1	ZINC000013896054	201057337	/nfs/dbraw/zinc/05/73/37/201057337.db2.gz	STECRJVPIXRLSR-XRGYYRRGSA-N	-2	1	335.268	0.097	1	0		ECAFML
O=C([O-])[C@H]1[C@@H](C(=O)[O-])NCCN1C(=O)c1ccc2cc(F)ccc2c1	ZINC000073199156	216363001	/nfs/dbraw/zinc/36/30/01/216363001.db2.gz	NMMLGUQOAAMDIH-UONOGXRCSA-N	-2	1	346.314	0.931	1	0		ECAFML
C[C@@](O)(CCO[P@](=O)([O-])OP(=O)([O-])[O-])C(F)(F)C(=O)[O-]	ZINC000040592123	213356964	/nfs/dbraw/zinc/35/69/64/213356964.db2.gz	TYAGFMDNISQMRJ-RXMQYKEDSA-N	-4	1	344.096	0.074	1	0	in-vitro	ECAFML
C[C@@](O)(CCO[P@@](=O)([O-])OP(=O)([O-])O)C(F)(F)C(=O)[O-]	ZINC000040592123	213356968	/nfs/dbraw/zinc/35/69/68/213356968.db2.gz	TYAGFMDNISQMRJ-RXMQYKEDSA-N	-3	1	344.096	0.074	1	0	in-vitro	ECAFML
C[C@@](O)(CCO[P@](=O)([O-])OP(=O)([O-])O)C(F)(F)C(=O)[O-]	ZINC000040592123	213356972	/nfs/dbraw/zinc/35/69/72/213356972.db2.gz	TYAGFMDNISQMRJ-RXMQYKEDSA-N	-3	1	344.096	0.074	1	0	in-vitro	ECAFML
C[C@@](O)(CCOP(=O)([O-])O[P@@](=O)([O-])O)C(F)(F)C(=O)[O-]	ZINC000040592123	213356976	/nfs/dbraw/zinc/35/69/76/213356976.db2.gz	TYAGFMDNISQMRJ-RXMQYKEDSA-N	-3	1	344.096	0.074	1	0	in-vitro	ECAFML
C[C@@](O)(CCOP(=O)([O-])O[P@](=O)([O-])O)C(F)(F)C(=O)[O-]	ZINC000040592123	213356978	/nfs/dbraw/zinc/35/69/78/213356978.db2.gz	TYAGFMDNISQMRJ-RXMQYKEDSA-N	-3	1	344.096	0.074	1	0	in-vitro	ECAFML
COC(=O)/C=C/C(=O)N[C@@H](Cc1ccc([O-])c(Cl)c1)C(=O)[O-]	ZINC000013347539	560214847	/nfs/dbraw/zinc/21/48/47/560214847.db2.gz	KCOKHEIACSQLBQ-YEZKRMTDSA-N	-2	1	327.720	0.887	1	0	in-vitro	ECAFML
C[C@@]1(OCP(=O)([O-])[O-])C=C[C@H](n2cnc3c2ncnc3N)C1	ZINC000040892409	213397767	/nfs/dbraw/zinc/39/77/67/213397767.db2.gz	WXKOPEQNRLPQSM-QPUJVOFHSA-N	-2	1	325.265	0.820	1	0		ECAFML