smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](Oc1ccc(/C=C(/C#N)C(=O)NC2CCCCC2)cc1)C(=O)[O-]	ZINC000005017880	956869941	/nfs/dbraw/zinc/86/99/41/956869941.db2.gz	NDVFHVHQMUZBJG-LKKYZFDUSA-N	-1	0	342.395	2.894	40	50		EFGBRM
COc1cc(/C=C(/C#N)C(=O)[O-])ccc1OC(=O)c1cccs1	ZINC000016196117	957098489	/nfs/dbraw/zinc/09/84/89/957098489.db2.gz	IDZUXWSPHYFHGB-XFFZJAGNSA-N	-1	0	329.333	2.967	40	50		EFGBRM
C[C@H](Oc1ccc(/C=C(/C#N)C(=O)NC2CCCCC2)cc1)C(=O)[O-]	ZINC000005017879	956870935	/nfs/dbraw/zinc/87/09/35/956870935.db2.gz	NDVFHVHQMUZBJG-WZMONFQBSA-N	-1	0	342.395	2.894	40	50		EFGBRM
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)[O-])cc1	ZINC000006183153	956875012	/nfs/dbraw/zinc/87/50/12/956875012.db2.gz	FOJYVTLJZINMMO-RIYRZUHRSA-N	-1	0	342.395	2.752	40	50		EFGBRM
N#C/C(=C\c1ccc(OCC(=O)[O-])cc1)C(=O)NC1CCCCC1	ZINC000006888938	956878275	/nfs/dbraw/zinc/87/82/75/956878275.db2.gz	VHIAPRIVLZEZAU-GXDHUFHOSA-N	-1	0	328.368	2.506	40	50		EFGBRM
N#CC(=Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1)C(N)=C(C#N)C#N	ZINC000000904591	956862213	/nfs/dbraw/zinc/86/22/13/956862213.db2.gz	ZDKYMNFOPYBKJT-NTUHNPAUSA-N	-1	0	330.303	2.812	40	50		EFGBRM
COc1ccc(N(C(C)=O)c2nc(/C=C(/C#N)C(=O)[O-])cs2)cc1	ZINC000044867235	957450487	/nfs/dbraw/zinc/45/04/87/957450487.db2.gz	CRRLVDNKEXAQLF-XFFZJAGNSA-N	-1	0	343.364	2.828	40	50		EFGBRM
N#C/C(=C/c1ccc(OCC(=O)[O-])cc1)C(=O)NC1CCCCC1	ZINC000057395864	957551160	/nfs/dbraw/zinc/55/11/60/957551160.db2.gz	VHIAPRIVLZEZAU-UVTDQMKNSA-N	-1	0	328.368	2.506	40	50		EFGBRM
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(C(=O)[O-])cc2)cc1	ZINC000070010390	948976291	/nfs/dbraw/zinc/97/62/91/948976291.db2.gz	NYUYNCXATPNCTF-YBEGLDIGSA-N	-1	0	336.347	2.617	40	50		EFGBRM
C[C@H](Oc1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)cc1)C(=O)[O-]	ZINC000032189255	957176628	/nfs/dbraw/zinc/17/66/28/957176628.db2.gz	NDVFHVHQMUZBJG-JMRXEAOASA-N	-1	0	342.395	2.894	40	50		EFGBRM
C[C@@H](Oc1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)cc1)C(=O)[O-]	ZINC000032189253	957175790	/nfs/dbraw/zinc/17/57/90/957175790.db2.gz	NDVFHVHQMUZBJG-WDGDVPDHSA-N	-1	0	342.395	2.894	40	50		EFGBRM
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)[O-])cc1	ZINC000006183162	956874664	/nfs/dbraw/zinc/87/46/64/956874664.db2.gz	FOJYVTLJZINMMO-WYRKQZDXSA-N	-1	0	342.395	2.752	40	50		EFGBRM
CNC(=O)/C(C#N)=C\c1ccccc1OCc1ccc(C(=O)[O-])cc1	ZINC000408959637	973926119	/nfs/dbraw/zinc/92/61/19/973926119.db2.gz	CIOYRRYYXRQLCY-YBEGLDIGSA-N	-1	0	336.347	2.617	40	50		EFGBRM