smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C2=N[C@@H](c3cccnc3)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000058138779	564177344	/nfs/dbraw/zinc/17/73/44/564177344.db2.gz	HHJWZLSIVDDVSA-IFMALSPDSA-N	-1	3	343.430	4.318	10	10		EICEHM
Cc1ccc(C2=N[C@H](c3cccnc3)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000058138769	564177360	/nfs/dbraw/zinc/17/73/60/564177360.db2.gz	HHJWZLSIVDDVSA-IRLDBZIGSA-N	-1	3	343.430	4.318	10	10		EICEHM
CC[C@@H](Nc1ccc(OC)nc1)c1cc(Br)ccc1[O-]	ZINC000019877820	212078981	/nfs/dbraw/zinc/07/89/81/212078981.db2.gz	NMWPMGXVAVBNSX-CYBMUJFWSA-N	-1	3	337.217	4.122	10	10		EICEHM
CCCCC(=O)N[C@@H](c1cccs1)c1ccc2cccnc2c1[O-]	ZINC000002921294	564153086	/nfs/dbraw/zinc/15/30/86/564153086.db2.gz	KLBYZTWIEWFYER-GOSISDBHSA-N	-1	3	340.448	4.398	10	10		EICEHM
CCCCC(=O)N[C@H](c1cccs1)c1ccc2cccnc2c1[O-]	ZINC000002921291	564153068	/nfs/dbraw/zinc/15/30/68/564153068.db2.gz	KLBYZTWIEWFYER-SFHVURJKSA-N	-1	3	340.448	4.398	10	10		EICEHM
Cc1ccc(C2=N[C@@H](c3cccnc3)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000058138760	564177362	/nfs/dbraw/zinc/17/73/62/564177362.db2.gz	HHJWZLSIVDDVSA-RBBKRZOGSA-N	-1	3	343.430	4.318	10	10		EICEHM
CCCc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1cccc(F)c1	ZINC000102881672	219237517	/nfs/dbraw/zinc/23/75/17/219237517.db2.gz	GTSUSDIPOSBYOE-SFQUDFHCSA-N	-1	3	341.361	4.464	10	10		EICEHM
Cc1ccc(C2=N[C@H](c3cccnc3)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000058138752	564177342	/nfs/dbraw/zinc/17/73/42/564177342.db2.gz	HHJWZLSIVDDVSA-UNMCSNQZSA-N	-1	3	343.430	4.318	10	10		EICEHM
Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccncc3)c([O-])c2n1	ZINC000019849827	212076360	/nfs/dbraw/zinc/07/63/60/212076360.db2.gz	NXNUXRJRVKIREV-LJQANCHMSA-N	-1	3	342.402	4.240	10	10		EICEHM
[O-]c1ccc(F)cc1C1=NN[C@@H](c2ccc(Cl)cc2Cl)C1	ZINC000038183361	213204728	/nfs/dbraw/zinc/20/47/28/213204728.db2.gz	HWBJFKDTEKBUFM-CYBMUJFWSA-N	-1	3	325.170	4.277	10	10		EICEHM
Cc1c([O-])c(CN(C)C)cc2c(=O)c(-c3cc4ccccc4o3)coc12	ZINC000000517668	564020475	/nfs/dbraw/zinc/02/04/75/564020475.db2.gz	AYZJYJGWVVVFBI-UHFFFAOYSA-N	-1	3	349.386	4.282	10	10		EICEHM
[O-]c1c([C@@H](Nc2nccs2)c2cccc(O)c2)ccc2cccnc21	ZINC000001094854	209709951	/nfs/dbraw/zinc/70/99/51/209709951.db2.gz	UUVFMWBOSPFVIZ-INIZCTEOSA-N	-1	3	349.415	4.304	10	10		EICEHM
Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccncc3)c([O-])c2n1	ZINC000019849825	212076382	/nfs/dbraw/zinc/07/63/82/212076382.db2.gz	NXNUXRJRVKIREV-IBGZPJMESA-N	-1	3	342.402	4.240	10	10		EICEHM
CC[C@H](Nc1ccc(OC)nc1)c1cc(Br)ccc1[O-]	ZINC000019877821	212078455	/nfs/dbraw/zinc/07/84/55/212078455.db2.gz	NMWPMGXVAVBNSX-ZDUSSCGKSA-N	-1	3	337.217	4.122	10	10		EICEHM
CN1CCc2c(Cl)c([O-])c(O)cc2[C@@H](c2cccc(Cl)c2)C1	ZINC000004475347	210196771	/nfs/dbraw/zinc/19/67/71/210196771.db2.gz	ZFGLFJUKZQSCQO-CQSZACIVSA-N	-1	3	338.234	4.024	10	10	aggregator	EICEHM