smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]/N=C/c1ccc(OCc2cccc(Br)c2)c(Br)c1	ZINC000253565197	527589460	/nfs/dbraw/zinc/58/94/60/527589460.db2.gz	HKOIQMOUFVBGPQ-CAOOACKPSA-N	-1	3	385.055	4.599	10	30		GJEEHM
O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1ccccc1Cl	ZINC000018195710	210217268	/nfs/dbraw/zinc/21/72/68/210217268.db2.gz	YKAOZBAAVITBBB-GOSISDBHSA-N	-1	3	391.858	4.796	10	30		GJEEHM
O=c1o[n-]c(-c2ccccc2)c1C=CC=CC=C1C(=O)ON=C1c1ccccc1	ZINC000100314428	527099377	/nfs/dbraw/zinc/09/93/77/527099377.db2.gz	NEDZCQDBZLHEGJ-HERPSZBESA-N	-1	3	384.391	4.504	10	30		GJEEHM
O=C(Nc1ccccc1)C(Br)=N[N-]c1ccc(Cl)cc1Cl	ZINC000022130350	570306080	/nfs/dbraw/zinc/30/60/80/570306080.db2.gz	SYWRGVXFWSKIQZ-DEDYPNTBSA-N	-1	3	387.064	4.752	10	30		GJEEHM
COC(=O)c1c(/N=C\c2cc(Br)ccc2[O-])sc2c1CCCC2	ZINC000096515549	521748606	/nfs/dbraw/zinc/74/86/06/521748606.db2.gz	YNRAOSRCZAIVIT-OCKHKDLRSA-N	-1	3	394.290	4.632	10	30		GJEEHM
O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1ccccc1Cl	ZINC000018195712	221389955	/nfs/dbraw/zinc/38/99/55/221389955.db2.gz	YKAOZBAAVITBBB-SFHVURJKSA-N	-1	3	391.858	4.796	10	30		GJEEHM
CCOc1cc(C=NNc2nc3ccccc3s2)cc(Br)c1[O-]	ZINC000103306758	520646686	/nfs/dbraw/zinc/64/66/86/520646686.db2.gz	BEUQMERLTOMYPO-NVMNQCDNSA-N	-1	3	392.278	4.609	10	30		GJEEHM
CCOc1cc(C=NN=c2[nH]c3ccccc3s2)cc(Br)c1[O-]	ZINC000103306758	520646694	/nfs/dbraw/zinc/64/66/94/520646694.db2.gz	BEUQMERLTOMYPO-NVMNQCDNSA-N	-1	3	392.278	4.609	10	30		GJEEHM
CCN1C(=O)/C(=C/c2cc(Cl)c([O-])c(OC)c2)S/C1=N\c1ccccc1	ZINC000008654206	221048332	/nfs/dbraw/zinc/04/83/32/221048332.db2.gz	HIYICTPYTGWRDC-LCUCDLPVSA-N	-1	3	388.876	4.678	10	30		GJEEHM
COc1ccc(/C=N/c2ccc(/N=C/c3ccc(OC)c(O)c3)cc2)cc1[O-]	ZINC000001233838	523452971	/nfs/dbraw/zinc/45/29/71/523452971.db2.gz	ZNDMCUWTVMAXAM-RNIAWFEPSA-N	-1	3	376.412	4.616	10	30		GJEEHM
O=[N+]([O-])c1ccc(NN=Cc2c([O-])ccc3ccccc32)c(C(F)(F)F)c1	ZINC000005949029	570462622	/nfs/dbraw/zinc/46/26/22/570462622.db2.gz	ZWQCQAYSWXLEMC-LSHDLFTRSA-N	-1	3	375.306	4.918	10	30		GJEEHM