smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)[O-]	ZINC000000163676	956860229	/nfs/dbraw/zinc/86/02/29/956860229.db2.gz	YQASXVJGRZKXLK-XNTDXEJSSA-N	-1	0	279.295	3.257	50	50		CGGARM
N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)[O-]	ZINC000000163679	956861069	/nfs/dbraw/zinc/86/10/69/956861069.db2.gz	YQASXVJGRZKXLK-GDNBJRDFSA-N	-1	0	279.295	3.257	50	50		CGGARM
Cc1cc(/C=C(\C#N)C(=O)[O-])c(C)n1-c1ccc(F)cc1	ZINC000003335968	956869037	/nfs/dbraw/zinc/86/90/37/956869037.db2.gz	OJJSWUVTVPCQPG-MDWZMJQESA-N	-1	0	284.290	3.225	50	50		CGGARM
N#C/C(=C/c1ccc(C(=O)[O-])cc1)c1nc2ccccc2[nH]1	ZINC000016525057	957099831	/nfs/dbraw/zinc/09/98/31/957099831.db2.gz	CJFLKEBFPOGCOG-LCYFTJDESA-N	-1	0	289.294	3.325	50	50		CGGARM
Cc1cc(/C=C(\C#N)C(=O)[O-])c(C)n1-c1ccccc1C	ZINC000002643790	956866759	/nfs/dbraw/zinc/86/67/59/956866759.db2.gz	VWXDPCYQVFSNTR-OQLLNIDSSA-N	-1	0	280.327	3.394	50	50		CGGARM
Cc1cc(/C=C(\C#N)C(=O)[O-])c(C)n1-c1ccc(C)cc1	ZINC000003335975	956869015	/nfs/dbraw/zinc/86/90/15/956869015.db2.gz	JQDXFUMSLUWYKI-OQLLNIDSSA-N	-1	0	280.327	3.394	50	50		CGGARM
N#C/C(=C\c1cccc(OCc2ccccc2)c1)C(=O)[O-]	ZINC000005900506	956874082	/nfs/dbraw/zinc/87/40/82/956874082.db2.gz	OJIKBUZEYVBZKM-OQLLNIDSSA-N	-1	0	279.295	3.257	50	50		CGGARM
Cc1cc(/C=C(/C#N)C(=O)[O-])c(C)n1-c1ccccc1F	ZINC000034258969	957191118	/nfs/dbraw/zinc/19/11/18/957191118.db2.gz	GWHMXMMDGPZBAN-JYRVWZFOSA-N	-1	0	284.290	3.225	50	50		CGGARM
N#C/C(=C\c1ccc(C(=O)[O-])cc1)c1nc2ccccc2[nH]1	ZINC000003946923	956868612	/nfs/dbraw/zinc/86/86/12/956868612.db2.gz	CJFLKEBFPOGCOG-UKTHLTGXSA-N	-1	0	289.294	3.325	50	50		CGGARM
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)[O-])c2C)cc1	ZINC000035189635	957199917	/nfs/dbraw/zinc/19/99/17/957199917.db2.gz	JIVABGGYCQYCOU-ZROIWOOFSA-N	-1	0	296.326	3.094	50	50		CGGARM
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)[O-])c2C)cc1	ZINC000003305392	956869123	/nfs/dbraw/zinc/86/91/23/956869123.db2.gz	JIVABGGYCQYCOU-NTEUORMPSA-N	-1	0	296.326	3.094	50	50		CGGARM
Cc1cc(/C=C(/C#N)C(=O)[O-])c(C)n1-c1ccc(F)cc1	ZINC000012504667	956903874	/nfs/dbraw/zinc/90/38/74/956903874.db2.gz	OJJSWUVTVPCQPG-JYRVWZFOSA-N	-1	0	284.290	3.225	50	50		CGGARM
Cc1cc(/C=C(/C#N)C(=O)[O-])c(C)n1CCC(C)C	ZINC000012488237	956904223	/nfs/dbraw/zinc/90/42/23/956904223.db2.gz	JAHBSGYGDLNZDD-ZSOIEALJSA-N	-1	0	260.337	3.143	50	50		CGGARM
Cc1cc(/C=C(\C#N)C(=O)[O-])c(C)n1CCC(C)C	ZINC000003289537	956868468	/nfs/dbraw/zinc/86/84/68/956868468.db2.gz	JAHBSGYGDLNZDD-RIYZIHGNSA-N	-1	0	260.337	3.143	50	50		CGGARM
Cc1csc(/C(C#N)=C/c2ccc(C(=O)[O-])cc2)n1	ZINC000008079371	956883808	/nfs/dbraw/zinc/88/38/08/956883808.db2.gz	DNONHBYKOYXRFV-WUXMJOGZSA-N	-1	0	270.313	3.214	50	50		CGGARM
N#C/C(=C\c1c(-c2ccccc2)nc2sccn12)C(=O)[O-]	ZINC000007900756	956884455	/nfs/dbraw/zinc/88/44/55/956884455.db2.gz	HPEVVQPHOYQUBI-DHZHZOJOSA-N	-1	0	295.323	3.054	50	50		CGGARM
Cc1cc(/C=C(\C#N)C(=O)[O-])c(C)n1-c1ccccc1F	ZINC000003305433	956868130	/nfs/dbraw/zinc/86/81/30/956868130.db2.gz	GWHMXMMDGPZBAN-MDWZMJQESA-N	-1	0	284.290	3.225	50	50		CGGARM
Cc1csc(/C(C#N)=C\c2ccc(C(=O)[O-])cc2)n1	ZINC000096843522	958343295	/nfs/dbraw/zinc/34/32/95/958343295.db2.gz	DNONHBYKOYXRFV-SDQBBNPISA-N	-1	0	270.313	3.214	50	50		CGGARM
N#CC(C#N)=Cc1ccc(-c2ccccc2C(=O)[O-])o1	ZINC000000136560	956861095	/nfs/dbraw/zinc/86/10/95/956861095.db2.gz	XXJDZEWAAPKELA-UHFFFAOYSA-N	-1	0	264.240	3.075	50	50		CGGARM
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)[O-])o2)cc1	ZINC000005753493	956873079	/nfs/dbraw/zinc/87/30/79/956873079.db2.gz	GPBCGDOBANGKFK-XYOKQWHBSA-N	-1	0	253.257	3.247	50	50		CGGARM
N#CC(C#N)=Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1	ZINC000005324162	956873310	/nfs/dbraw/zinc/87/33/10/956873310.db2.gz	AKYJRIBUNBBGHW-UHFFFAOYSA-N	-1	0	264.240	3.075	50	50		CGGARM
Cc1cc(/C=C(/C#N)C(=O)[O-])c(C)n1-c1ccc(C)cc1	ZINC000035223494	957201664	/nfs/dbraw/zinc/20/16/64/957201664.db2.gz	JQDXFUMSLUWYKI-DHDCSXOGSA-N	-1	0	280.327	3.394	50	50		CGGARM
COc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)[O-])c1C	ZINC000003305395	956869370	/nfs/dbraw/zinc/86/93/70/956869370.db2.gz	KFRCAZRAVDUSFX-NTEUORMPSA-N	-1	0	296.326	3.094	50	50		CGGARM
Cc1cc(/C=C(/C#N)C(=O)[O-])c(C)n1-c1ccccc1C	ZINC000012504692	956903848	/nfs/dbraw/zinc/90/38/48/956903848.db2.gz	VWXDPCYQVFSNTR-DHDCSXOGSA-N	-1	0	280.327	3.394	50	50		CGGARM