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/c1ccccc1Cl)C(=O)[O-]	ZINC000095911163	958335707	/nfs/dbraw/zinc/33/57/07/958335707.db2.gz	SPTXWNXTYIDOON-YVMONPNESA-N	-1	0	207.616	2.332	50	50		BEGARM
C[C@H]1Cc2cc(/C=C(/C#N)C(=O)[O-])ccc2O1	ZINC000098063833	958356095	/nfs/dbraw/zinc/35/60/95/958356095.db2.gz	PPGJJNCGJNNMAW-OITNDJBGSA-N	-1	0	229.235	2.002	50	50		BEGARM
CCOc1ccc(/C=C(/C#N)C(=O)[O-])cc1	ZINC000012504655	956903836	/nfs/dbraw/zinc/90/38/36/956903836.db2.gz	MYBMSWJVQCPVJH-YFHOEESVSA-N	-1	0	217.224	2.077	50	50		BEGARM
COc1ccc(/C=C(\C#N)C(=O)[O-])cc1Cl	ZINC000025539878	957161981	/nfs/dbraw/zinc/16/19/81/957161981.db2.gz	RNAVRFMVJTUERY-XBXARRHUSA-N	-1	0	237.642	2.340	50	50		BEGARM
N#C/C(=C\c1c(F)cccc1Cl)C(=O)[O-]	ZINC000005713235	956872613	/nfs/dbraw/zinc/87/26/13/956872613.db2.gz	GVSQWRAAGCVKJI-GQCTYLIASA-N	-1	0	225.606	2.471	50	50		BEGARM
CC1(C)Cc2cc(/C=C(/C#N)C(=O)[O-])ccc2O1	ZINC000071857480	957733554	/nfs/dbraw/zinc/73/35/54/957733554.db2.gz	UZKXMXPEWCCGNM-WDZFZDKYSA-N	-1	0	243.262	2.392	50	50		BEGARM
CCOc1ccc(/C=C(\C#N)C(=O)[O-])cc1	ZINC000003342654	956868401	/nfs/dbraw/zinc/86/84/01/956868401.db2.gz	MYBMSWJVQCPVJH-JXMROGBWSA-N	-1	0	217.224	2.077	50	50		BEGARM
Cc1ccc(/C=C(\C#N)C(=O)[O-])cc1F	ZINC000096320092	958336481	/nfs/dbraw/zinc/33/64/81/958336481.db2.gz	MODYMXIKKGNIKM-RUDMXATFSA-N	-1	0	205.188	2.126	50	50		BEGARM
O=C([O-])c1ccc(Cl)c(NC(=O)CCl)c1	ZINC000002650205	956866685	/nfs/dbraw/zinc/86/66/85/956866685.db2.gz	CQNMKYGPZOUVJF-UHFFFAOYSA-N	-1	0	248.065	2.216	50	50		BEGARM
O=C([O-])c1cc(Cl)ccc1NC(=O)CCl	ZINC000003080940	956866903	/nfs/dbraw/zinc/86/69/03/956866903.db2.gz	SMIHPRXPZTUBDT-UHFFFAOYSA-N	-1	0	248.065	2.216	50	50		BEGARM
Cc1ccc(/C=C(/C#N)C(=O)[O-])cc1F	ZINC000072269951	957735025	/nfs/dbraw/zinc/73/50/25/957735025.db2.gz	MODYMXIKKGNIKM-WTKPLQERSA-N	-1	0	205.188	2.126	50	50		BEGARM
C[C@@H]1Cc2cc(/C=C(/C#N)C(=O)[O-])ccc2O1	ZINC000098063832	958355728	/nfs/dbraw/zinc/35/57/28/958355728.db2.gz	PPGJJNCGJNNMAW-QKNMJKLUSA-N	-1	0	229.235	2.002	50	50		BEGARM