smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)=Nc1ccc([O-])c(Cl)c1	141295914	572927661	/nfs/dbraw/zinc/92/76/61/572927661.db2.gz	JFIKYTSPDVAKBP-UHFFFAOYSA-N	-1	1	183.638	3.158	10	30		AGEEMM
CC(C)c1cc([O-])c(C#N)cc1Cl	257949598	573128414	/nfs/dbraw/zinc/12/84/14/573128414.db2.gz	ATKDBLCFHINIGB-UHFFFAOYSA-N	-1	1	195.649	3.041	10	30		AGEEMM
CC(C)/C(=N/[O-])c1ccc(Cl)cc1	139706333	571975631	/nfs/dbraw/zinc/97/56/31/571975631.db2.gz	YPYQUASGLKSKJS-BENRWUELSA-N	-1	1	197.665	3.174	10	30		AGEEMM
Cc1ccc2c([O-])c(C#N)c(C)cc2c1	238523207	572757135	/nfs/dbraw/zinc/75/71/35/572757135.db2.gz	GZHKNMOMMZPOAO-UHFFFAOYSA-N	-1	1	197.237	3.034	10	30		AGEEMM
Cc1ccc2cc(C)c(C#N)c([O-])c2c1	238524951	572765898	/nfs/dbraw/zinc/76/58/98/572765898.db2.gz	MLGJPUPNEHTVGA-UHFFFAOYSA-N	-1	1	197.237	3.034	10	30		AGEEMM
C[C@@H](CC#N)c1cccc(Cl)c1[O-]	259557231	573685205	/nfs/dbraw/zinc/68/52/05/573685205.db2.gz	ABAUWLGOKQTNOL-ZETCQYMHSA-N	-1	1	195.649	3.063	10	30		AGEEMM
C[C@H](CC#N)c1cccc(Cl)c1[O-]	259557226	573688376	/nfs/dbraw/zinc/68/83/76/573688376.db2.gz	ABAUWLGOKQTNOL-SSDOTTSWSA-N	-1	1	195.649	3.063	10	30		AGEEMM
CC(C)=Nc1cc(Cl)ccc1[O-]	238179363	573888305	/nfs/dbraw/zinc/88/83/05/573888305.db2.gz	KGWHFOGYFFKCSK-UHFFFAOYSA-N	-1	1	183.638	3.158	10	30		AGEEMM
C=CCc1c(C)ccc(Cl)c1[O-]	52064456	166206660	/nfs/dbraw/zinc/20/66/60/166206660.db2.gz	VTTFYBYYQZKMOM-UHFFFAOYSA-N	-1	1	182.650	3.083	10	30		AGEEMM
C=CCc1ccc2ccsc2c1[O-]	39117197	166208264	/nfs/dbraw/zinc/20/82/64/166208264.db2.gz	AHLULBFPWBSCFV-UHFFFAOYSA-N	-1	1	190.267	3.335	10	30		AGEEMM
C=CC/C(=N/[O-])c1ccccc1Cl	584612981	346728497	/nfs/dbraw/zinc/72/84/97/346728497.db2.gz	FTWNWCRXDVYKOC-BENRWUELSA-N	-1	1	195.649	3.094	10	30		AGEEMM
C=C(C)Cc1cccc(Cl)c1[O-]	34514768	343120791	/nfs/dbraw/zinc/12/07/91/343120791.db2.gz	OTUVBWNMQJPCGF-UHFFFAOYSA-N	-1	1	182.650	3.164	10	30		AGEEMM
C=C(C)Cc1c(C)ccc(Cl)c1[O-]	575565880	352704227	/nfs/dbraw/zinc/70/42/27/352704227.db2.gz	ALWPYGNJEQLSQO-UHFFFAOYSA-N	-1	1	196.677	3.473	10	30		AGEEMM
CCCc1ccc(/C(Cl)=N/[O-])cc1	117178063	573326398	/nfs/dbraw/zinc/32/63/98/573326398.db2.gz	BPZUZGFISKEGOI-BENRWUELSA-N	-1	1	197.665	3.014	10	30		AGEEMM