smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N(c1nc(/C=C(/C#N)C(=O)[O-])cs1)c1cccc(Cl)c1	ZINC000044867230	957449975	/nfs/dbraw/zinc/44/99/75/957449975.db2.gz	LKDRJDQWZNJRDC-YHYXMXQVSA-N	-1	0	347.783	3.473	40	50		EGGBRM
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)[O-])cc2)cc1	ZINC000006209532	956875337	/nfs/dbraw/zinc/87/53/37/956875337.db2.gz	XRTVZEOEXQSCST-XNTDXEJSSA-N	-1	0	336.347	3.004	40	50		EGGBRM
C[C@@H](Oc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1)C(=O)[O-]	ZINC000004723181	956871354	/nfs/dbraw/zinc/87/13/54/956871354.db2.gz	VBHXRASASJOPEN-WDGDVPDHSA-N	-1	0	336.347	3.084	40	50		EGGBRM
N#C/C(=C\c1ccc(-c2ccccc2C(=O)[O-])o1)C(=O)N1CCCC1	ZINC000409367622	973925934	/nfs/dbraw/zinc/92/59/34/973925934.db2.gz	GHRJFIGRVRVCEP-ACCUITESSA-N	-1	0	336.347	3.174	40	50		EGGBRM
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(C(=O)[O-])cc2)cc1	ZINC000005873125	956875427	/nfs/dbraw/zinc/87/54/27/956875427.db2.gz	LJALXTXDAJZKLD-PTNGSMBKSA-N	-1	0	336.347	3.329	40	50		EGGBRM
C[C@@H](Oc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1)C(=O)[O-]	ZINC000012548843	956902942	/nfs/dbraw/zinc/90/29/42/956902942.db2.gz	UJTQLOVNAOXUFE-HLVNSREUSA-N	-1	0	333.347	3.479	40	50		EGGBRM
CC(=O)N(c1nc(/C=C(/C#N)C(=O)[O-])cs1)c1ccc(F)cc1F	ZINC000070037677	957659122	/nfs/dbraw/zinc/65/91/22/957659122.db2.gz	KANFCBCSKWUSQB-WTKPLQERSA-N	-1	0	349.318	3.097	40	50		EGGBRM
C[C@H](Oc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1)C(=O)[O-]	ZINC000012548844	956903717	/nfs/dbraw/zinc/90/37/17/956903717.db2.gz	UJTQLOVNAOXUFE-LQELWAHVSA-N	-1	0	333.347	3.479	40	50		EGGBRM
C[C@@H](Oc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1)C(=O)[O-]	ZINC000059249722	957561407	/nfs/dbraw/zinc/56/14/07/957561407.db2.gz	VBHXRASASJOPEN-LKKYZFDUSA-N	-1	0	336.347	3.084	40	50		EGGBRM
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)[O-])c2)cc1	ZINC000108063494	958374059	/nfs/dbraw/zinc/37/40/59/958374059.db2.gz	DHYNABGSLHHMBU-GDNBJRDFSA-N	-1	0	336.347	3.329	40	50		EGGBRM
C[C@H](Oc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1)C(=O)[O-]	ZINC000059249721	957561272	/nfs/dbraw/zinc/56/12/72/957561272.db2.gz	VBHXRASASJOPEN-WZMONFQBSA-N	-1	0	336.347	3.084	40	50		EGGBRM
C[C@H](Oc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1)C(=O)[O-]	ZINC000004723180	948772305	/nfs/dbraw/zinc/77/23/05/948772305.db2.gz	VBHXRASASJOPEN-JMRXEAOASA-N	-1	0	336.347	3.084	40	50		EGGBRM
COc1cc(C=C(C#N)C#N)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000005661200	956873143	/nfs/dbraw/zinc/87/31/43/956873143.db2.gz	OFFDFPQFNJHZKO-UHFFFAOYSA-N	-1	0	334.331	3.403	40	50		EGGBRM