smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)c1cc(=O)n2nc(N)[n-]c2n1	13118652	571975062	/nfs/dbraw/zinc/97/50/62/571975062.db2.gz	LQAWPAVTLGYJSB-UHFFFAOYSA-N	-1	3	193.210	0.536	1	0		ACAFHM
C[C@H](N)C(=O)N1CCCC1C(=O)[O-]	69486247	574415664	/nfs/dbraw/zinc/41/56/64/574415664.db2.gz	AIGYIMGDPQWIKT-YFKPBYRVSA-N	-1	3	186.211	0.241	1	0	endogenous,in-vitro	ACAFHM
CC(C)C(NC(=O)[C@H](C)N)C(=O)[O-]	69486274	574415670	/nfs/dbraw/zinc/41/56/70/574415670.db2.gz	ZVWNHJMOEPHKDF-YFKPBYRVSA-N	-1	3	188.227	0.391	1	0	endogenous,in-vitro	ACAFHM
CC(C)C(NC(=O)[C@@H](C)N)C(=O)[O-]	69486271	574415662	/nfs/dbraw/zinc/41/56/62/574415662.db2.gz	ZVWNHJMOEPHKDF-RXMQYKEDSA-N	-1	3	188.227	0.391	1	0	endogenous,in-vitro	ACAFHM
C[C@@H](N)C(=O)N1CCCC1C(=O)[O-]	69486244	574415672	/nfs/dbraw/zinc/41/56/72/574415672.db2.gz	AIGYIMGDPQWIKT-RXMQYKEDSA-N	-1	3	186.211	0.241	1	0	endogenous,in-vitro	ACAFHM
CC(C)C(NC(=O)CN)C(=O)[O-]	69486948	574415906	/nfs/dbraw/zinc/41/59/06/574415906.db2.gz	PAZNVXPOYZPOAE-UHFFFAOYSA-N	-1	3	174.200	0.002	1	0	endogenous,in-vitro	ACAFHM
CC[C@H](C)C(NC(=O)CN)C(=O)[O-]	69486923	574415918	/nfs/dbraw/zinc/41/59/18/574415918.db2.gz	BMDLGHOVLJDVSO-YFKPBYRVSA-N	-1	3	188.227	0.393	1	0	endogenous,in-vitro	ACAFHM
CC[C@@H](C)C(NC(=O)CN)C(=O)[O-]	69486921	574415942	/nfs/dbraw/zinc/41/59/42/574415942.db2.gz	BMDLGHOVLJDVSO-RXMQYKEDSA-N	-1	3	188.227	0.393	1	0	endogenous,in-vitro	ACAFHM
CC(C)CC(NC(=O)CN)C(=O)[O-]	69486924	574415957	/nfs/dbraw/zinc/41/59/57/574415957.db2.gz	CEHSKPYSNAIQHZ-UHFFFAOYSA-N	-1	3	188.227	0.393	1	0	endogenous,in-vitro	ACAFHM
CC(C)C[C@H](N)C(=O)NCC(=O)[O-]	69487308	574416034	/nfs/dbraw/zinc/41/60/34/574416034.db2.gz	SBGOADGGRFXHHV-LURJTMIESA-N	-1	3	188.227	0.391	1	0	endogenous,in-vitro	ACAFHM
CC(C)C[C@@H](N)C(=O)NCC(=O)[O-]	69487306	574416042	/nfs/dbraw/zinc/41/60/42/574416042.db2.gz	SBGOADGGRFXHHV-ZCFIWIBFSA-N	-1	3	188.227	0.391	1	0	endogenous,in-vitro	ACAFHM
CC[C@H](C)[C@@H](N)C(=O)NCC(=O)[O-]	100387036	574417768	/nfs/dbraw/zinc/41/77/68/574417768.db2.gz	OHUXEOJFWNAUNA-CAHLUQPWSA-N	-1	3	188.227	0.391	1	0	endogenous,in-vitro	ACAFHM
CC[C@H](C)[C@H](N)C(=O)NCC(=O)[O-]	100387043	574417785	/nfs/dbraw/zinc/41/77/85/574417785.db2.gz	OHUXEOJFWNAUNA-FSPLSTOPSA-N	-1	3	188.227	0.391	1	0	endogenous,in-vitro	ACAFHM
CC[C@@H](C)[C@H](N)C(=O)NCC(=O)[O-]	100387046	574417796	/nfs/dbraw/zinc/41/77/96/574417796.db2.gz	OHUXEOJFWNAUNA-VDTYLAMSSA-N	-1	3	188.227	0.391	1	0	endogenous,in-vitro	ACAFHM
CC[C@@H](C)[C@@H](N)C(=O)NCC(=O)[O-]	100387040	574417814	/nfs/dbraw/zinc/41/78/14/574417814.db2.gz	OHUXEOJFWNAUNA-IYSWYEEDSA-N	-1	3	188.227	0.391	1	0	endogenous,in-vitro	ACAFHM
CC(NC(=O)[C@@H](N)C(C)C)C(=O)[O-]	100388765	574418384	/nfs/dbraw/zinc/41/83/84/574418384.db2.gz	NSURZNDHCRRJQQ-LURJTMIESA-N	-1	3	188.227	0.391	1	0	endogenous,in-vitro	ACAFHM
CC(C)[C@@H](N)C(=O)NCC(=O)[O-]	100388801	574418414	/nfs/dbraw/zinc/41/84/14/574418414.db2.gz	VRGYAFOJFDBRRB-ZCFIWIBFSA-N	-1	3	174.200	0.001	1	0	endogenous,in-vitro	ACAFHM
CC(C)[C@H](N)C(=O)NCC(=O)[O-]	100388803	574418422	/nfs/dbraw/zinc/41/84/22/574418422.db2.gz	VRGYAFOJFDBRRB-LURJTMIESA-N	-1	3	174.200	0.001	1	0	endogenous,in-vitro	ACAFHM
CC(NC(=O)[C@H](N)C(C)C)C(=O)[O-]	100388762	574418368	/nfs/dbraw/zinc/41/83/68/574418368.db2.gz	NSURZNDHCRRJQQ-ZCFIWIBFSA-N	-1	3	188.227	0.391	1	0	endogenous,in-vitro	ACAFHM
CC=Cc1cc(=O)[n-]c(=O)[nH]1	27524846	166067101	/nfs/dbraw/zinc/06/71/01/166067101.db2.gz	NTVFCBKTBCRVOB-NSCUHMNNSA-N	-1	3	152.153	0.096	1	0		ACAFHM
CC=Cc1cc(=O)[n-]c(=O)[nH]1	27525683	166069310	/nfs/dbraw/zinc/06/93/10/166069310.db2.gz	NTVFCBKTBCRVOB-IHWYPQMZSA-N	-1	3	152.153	0.096	1	0		ACAFHM
CC(=O)[C@@]1(N)CC[C@@H]2[C@H](C(=O)[O-])[C@@H]21	84733599	166303613	/nfs/dbraw/zinc/30/36/13/166303613.db2.gz	UGIUXHLMCCHJBN-AYHNYZOXSA-N	-1	3	183.207	0.014	1	0		ACAFHM
CN[C@@](C)(C[18F])C(=O)[O-]	101210968	168045999	/nfs/dbraw/zinc/04/59/99/168045999.db2.gz	YXVQATKULUENAL-MAWXAGFGSA-N	-1	3	134.141	0.019	1	0		ACAFHM
CN[C@](C)(C[18F])C(=O)[O-]	101764278	168061870	/nfs/dbraw/zinc/06/18/70/168061870.db2.gz	YXVQATKULUENAL-UQODWZDHSA-N	-1	3	134.141	0.019	1	0		ACAFHM
NCc1cnn([O-])c1Br	95594100	169226983	/nfs/dbraw/zinc/22/69/83/169226983.db2.gz	OCYMDCZUBPZMRQ-UHFFFAOYSA-N	-1	3	192.016	0.342	1	0		ACAFHM
NCc1cnn([O-])c1Cl	95593317	169227227	/nfs/dbraw/zinc/22/72/27/169227227.db2.gz	XLQSRTOHPZFYPV-UHFFFAOYSA-N	-1	3	147.565	0.233	1	0		ACAFHM
N[C@@]1(C(=O)[O-])CCC[C@@H]1[18F]	101618767	169260868	/nfs/dbraw/zinc/26/08/68/169260868.db2.gz	FGMOLHMIOXUKET-LLKISHAUSA-N	-1	3	146.152	0.291	1	0		ACAFHM
Nc1nc(=S)c2snnc2[n-]1	36382848	169306629	/nfs/dbraw/zinc/30/66/29/169306629.db2.gz	JPLOOXJHKLQSKN-UHFFFAOYSA-N	-1	3	185.237	0.352	1	0		ACAFHM
O=CN([O-])CCCc1ccncc1	66102473	169397357	/nfs/dbraw/zinc/39/73/57/169397357.db2.gz	COXZXOPCMOMFFY-UHFFFAOYSA-N	-1	3	180.207	0.862	1	0		ACAFHM
O=c1cc([O-])c(=O)[nH]c2c1CCCC2	13605943	169418572	/nfs/dbraw/zinc/41/85/72/169418572.db2.gz	QCHLTINESSCNCF-UHFFFAOYSA-N	-1	3	193.202	0.320	1	0		ACAFHM
O=c1cc([O-])c2c([nH]c1=O)CCCC2	13605943	169418573	/nfs/dbraw/zinc/41/85/73/169418573.db2.gz	QCHLTINESSCNCF-UHFFFAOYSA-N	-1	3	193.202	0.320	1	0		ACAFHM
Nc1nc(-c2ccccc2)cc(=O)[n-]1	100055646	351688656	/nfs/dbraw/zinc/68/86/56/351688656.db2.gz	VAZOWPANWQFDOH-UHFFFAOYSA-N	-1	3	187.202	0.721	1	0		ACAFHM