smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])/C=C/C#CC#C/C=C\CO	14447505	571707197	/nfs/dbraw/zinc/70/71/97/571707197.db2.gz	AJSNUBLNFVLJEB-CGXWXWIYSA-N	-1	0	176.171	0.183	1	30	endogenous,in-man	ACEFRM
C=C1C[C@@H]1CC(=O)C(=O)[O-]	5426451	560201970	/nfs/dbraw/zinc/20/19/70/560201970.db2.gz	IKTGVEIOCJLOFU-RXMQYKEDSA-N	-1	0	140.138	0.606	1	30	in-vitro	ACEFRM
C=C1C[C@H]1CC(=O)C(=O)[O-]	5426452	560201972	/nfs/dbraw/zinc/20/19/72/560201972.db2.gz	IKTGVEIOCJLOFU-YFKPBYRVSA-N	-1	0	140.138	0.606	1	30	in-vitro	ACEFRM
CC(=O)NC(CS)C(=O)[O-]	69488593	574416449	/nfs/dbraw/zinc/41/64/49/574416449.db2.gz	QOTZKLVDYMCXTI-UHFFFAOYSA-N	-1	0	163.198	0.337	1	30	endogenous,in-vitro	ACEFRM
O=C([O-])C(=O)CC(=O)C1=CC=CC1	101483979	581102008	/nfs/dbraw/zinc/10/20/08/581102008.db2.gz	DAPQSVDHWYENLD-YVMONPNESA-N	-1	0	180.159	0.968	1	30		ACEFRM
O=C1COc2c(F)cccc2N1O	35079152	132177654	/nfs/dbraw/zinc/17/76/54/132177654.db2.gz	BHRSAOKCHXFERD-UHFFFAOYSA-N	-1	0	183.138	0.940	1	30		ACEFRM
O=C1COc2ccc(F)cc2N1O	35079148	132177756	/nfs/dbraw/zinc/17/77/56/132177756.db2.gz	LGSRGAGHVDOILK-UHFFFAOYSA-N	-1	0	183.138	0.940	1	30		ACEFRM
C=C1C(=O)[C@@]2(C)O[C@@]2(C)[C@H]1C(=O)[O-]	14591510	166144340	/nfs/dbraw/zinc/14/43/40/166144340.db2.gz	HBECYYFDLZZMPL-HFHMMWAZSA-N	-1	0	182.175	0.374	1	30		ACEFRM
CC(=O)Nc1nc(C#N)[n-]c1C#N	1646846	166286354	/nfs/dbraw/zinc/28/63/54/166286354.db2.gz	WNZDAVHXNPEVHT-UHFFFAOYSA-N	-1	0	175.151	0.111	1	30		ACEFRM
Cc1noc(/C=N/[O-])n1	28227593	168996165	/nfs/dbraw/zinc/99/61/65/168996165.db2.gz	ONYIKZRNXOSDCH-GORDUTHDSA-N	-1	0	127.103	0.186	1	30		ACEFRM
Cc1nonc1/C=N/[O-]	28226164	169004253	/nfs/dbraw/zinc/00/42/53/169004253.db2.gz	JQUQANKOIUIBLK-GORDUTHDSA-N	-1	0	127.103	0.186	1	30		ACEFRM
Cc1nsc(/C=N/[O-])n1	28227588	169005471	/nfs/dbraw/zinc/00/54/71/169005471.db2.gz	LWXMAADTJDGJCB-GORDUTHDSA-N	-1	0	143.171	0.655	1	30		ACEFRM
Cc1nsnc1/C=N\[O-]	28229426	169007943	/nfs/dbraw/zinc/00/79/43/169007943.db2.gz	PDPNLPOPEWFAAS-DJWKRKHSSA-N	-1	0	143.171	0.655	1	30		ACEFRM
[O-]/N=C/c1nc(-c2ccncc2)no1	26261757	169314593	/nfs/dbraw/zinc/31/45/93/169314593.db2.gz	SJDAOFMYBGFPOF-BJMVGYQFSA-N	-1	0	190.162	0.940	1	30		ACEFRM
[O-]/N=C\c1cnsn1	28225289	169315147	/nfs/dbraw/zinc/31/51/47/169315147.db2.gz	RQUWGXXOEYMUCZ-RJRFIUFISA-N	-1	0	129.144	0.346	1	30		ACEFRM
[O-]/N=C/c1cc(/C=N\O)cc(O)c1O	6524377	169315465	/nfs/dbraw/zinc/31/54/65/169315465.db2.gz	RVXQVCZJDDAKEE-INWPEIIHSA-N	-1	0	196.162	0.714	1	30		ACEFRM
O=C([O-])CC[n+]1ccccc1/C=N/[O-]	45245318	169339607	/nfs/dbraw/zinc/33/96/07/169339607.db2.gz	WYESWWQZQKMQGR-UHFFFAOYSA-O	-1	0	195.198	0.257	1	30		ACEFRM
O=C([O-])[C@H](CCS)NC(F)F	27717578	169350731	/nfs/dbraw/zinc/35/07/31/169350731.db2.gz	NYYRICOQLICPPN-VKHMYHEASA-N	-1	0	185.195	0.572	1	30		ACEFRM
O=C1C(O)=C([O-])C(=O)c2ncccc21	103269681	169365926	/nfs/dbraw/zinc/36/59/26/169365926.db2.gz	RQZRTHUGPKOECX-UHFFFAOYSA-N	-1	0	191.142	0.788	1	30		ACEFRM
O=C1CCc2ccccc2C(=O)N1[O-]	3626186	169377425	/nfs/dbraw/zinc/37/74/25/169377425.db2.gz	IRJZIZKBNPSVEX-UHFFFAOYSA-N	-1	0	191.186	0.991	1	30		ACEFRM
O=C1Cc2ccccc2CC(=O)N1[O-]	3626187	169383983	/nfs/dbraw/zinc/38/39/83/169383983.db2.gz	DQAXPTQNKZMKAH-UHFFFAOYSA-N	-1	0	191.186	0.530	1	30		ACEFRM
O=C([O-])C(O)=CC(=O)c1cccnc1	101510039	171145881	/nfs/dbraw/zinc/14/58/81/171145881.db2.gz	NKHAJKMGOPPFRR-YWEYNIOJSA-N	-1	0	193.158	0.791	1	30		ACEFRM
C=C[C@@H](O)C#CC#CCCCC(=O)[O-]	14512595	573787296	/nfs/dbraw/zinc/78/72/96/573787296.db2.gz	JTAJCTRGYYNPLJ-SNVBAGLBSA-N	-1	0	192.214	0.795	1	30		ACEFRM