smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCC(=O)c1ccc([O-])c(O)c1	ZINC000002573119	371597000	/nfs/dbraw/zinc/59/70/00/371597000.db2.gz	CLMOHHJFWLYDDS-UHFFFAOYSA-N	-1	1	236.311	3.641	40	30		BHEBMM
C/C(=N\[O-])c1ccc2c(c1)Oc1ccccc1O2	ZINC000005370743	384112270	/nfs/dbraw/zinc/11/22/70/384112270.db2.gz	SPBVSDOSFSKJBP-OQLLNIDSSA-N	-1	1	241.246	3.783	40	30		BHEBMM
C/C(=N\[O-])c1ccc(Cl)c(Cl)c1Cl	ZINC000006261793	357231723	/nfs/dbraw/zinc/23/17/23/357231723.db2.gz	MXPMSWCYSMRTCW-UUILKARUSA-N	-1	1	238.501	3.845	40	30		BHEBMM
CCCCOc1ccc2ccccc2c1/C=N/[O-]	ZINC000011890786	535327561	/nfs/dbraw/zinc/32/75/61/535327561.db2.gz	IWAZAKKCDPXWPL-LFIBNONCSA-N	-1	1	243.306	3.827	40	30		BHEBMM
CCC/C=C/CC=CC=CC=N[N-]N=O	ZINC000014769338	384878865	/nfs/dbraw/zinc/87/88/65/384878865.db2.gz	NKTGCVUIESDXPU-MDCJQJRZSA-N	-1	1	207.277	3.672	40	30	in-vitro	BHEBMM
Cc1ccc([O-])c(C(=O)/C=C\c2ccccc2)c1	ZINC000016924767	342917290	/nfs/dbraw/zinc/91/72/90/342917290.db2.gz	BPAVQKLQOSHOPN-NTMALXAHSA-N	-1	1	238.286	3.597	40	30		BHEBMM
[O-]/N=C1\c2ccccc2-c2cc(Cl)ccc21	ZINC000017420408	384490242	/nfs/dbraw/zinc/49/02/42/384490242.db2.gz	NKXFJUITTRLQMY-FYWRMAATSA-N	-1	1	229.666	3.547	40	30		BHEBMM
Cc1ccc(-c2ccc(/C=N/[O-])o2)cc1Cl	ZINC000020154456	178323325	/nfs/dbraw/zinc/32/33/25/178323325.db2.gz	AMMICQISVHLQLG-VGOFMYFVSA-N	-1	1	235.670	3.717	40	30		BHEBMM
Cc1c(Cl)cccc1-c1ccc(/C=N/[O-])o1	ZINC000020154464	347359726	/nfs/dbraw/zinc/35/97/26/347359726.db2.gz	XKJMDEXARIPPAI-VGOFMYFVSA-N	-1	1	235.670	3.717	40	30		BHEBMM
Cc1cc(Cl)ccc1-c1ccc(/C=N/[O-])o1	ZINC000045954196	178065303	/nfs/dbraw/zinc/06/53/03/178065303.db2.gz	VZDKFOBWYYYMBV-VGOFMYFVSA-N	-1	1	235.670	3.717	40	30		BHEBMM
Cc1ccc(Cl)cc1-c1ccc(/C=N/[O-])o1	ZINC000049827895	386658015	/nfs/dbraw/zinc/65/80/15/386658015.db2.gz	XCLODEFBDBVTAR-VGOFMYFVSA-N	-1	1	235.670	3.717	40	30		BHEBMM
CCCCCCCCCCO[P@H](=O)[O-]	ZINC000060139895	539014494	/nfs/dbraw/zinc/01/44/94/539014494.db2.gz	ZBEKPPVMYNVMQO-UHFFFAOYSA-N	-1	1	222.265	3.526	40	30		BHEBMM
CCCCCCCCCCC[P@](=O)([O-])O	ZINC000097976221	384583859	/nfs/dbraw/zinc/58/38/59/384583859.db2.gz	GKIQHTGBORJXKZ-UHFFFAOYSA-N	-1	1	236.292	3.695	40	30		BHEBMM
CCCCCCCC(=O)c1ccc([O-])cc1O	ZINC000100925781	384658590	/nfs/dbraw/zinc/65/85/90/384658590.db2.gz	KQTGSBXSUHUCKY-UHFFFAOYSA-N	-1	1	236.311	3.641	40	30		BHEBMM
[O-]c1cc(Cl)ccc1/N=C/c1ccc(F)cc1	ZINC000101206785	183258901	/nfs/dbraw/zinc/25/89/01/183258901.db2.gz	KMHBPKVWQSOTIV-LZYBPNLTSA-N	-1	1	249.672	3.935	40	30		BHEBMM
[O-]/N=C1/c2ccccc2-c2cc(Cl)ccc21	ZINC000104081848	384797353	/nfs/dbraw/zinc/79/73/53/384797353.db2.gz	NKXFJUITTRLQMY-SQFISAMPSA-N	-1	1	229.666	3.547	40	30		BHEBMM
[O-]c1ccc(Cl)cc1/N=C\c1ccccc1O	ZINC000104088143	183300743	/nfs/dbraw/zinc/30/07/43/183300743.db2.gz	MECAZNFEEJTGNK-NVNXTCNLSA-N	-1	1	247.681	3.502	40	30		BHEBMM
[O-]/N=C(\Cl)C(c1ccccc1)c1ccccc1	ZINC000109185630	369463882	/nfs/dbraw/zinc/46/38/82/369463882.db2.gz	HFVPAMWSSVIXIQ-PEZBUJJGSA-N	-1	1	245.709	3.845	40	30		BHEBMM
CCCOc1c(Cl)cc(Cl)cc1/C=N/[O-]	ZINC000409047848	385462021	/nfs/dbraw/zinc/46/20/21/385462021.db2.gz	PVCHSIJILVNNQV-AWNIVKPZSA-N	-1	1	248.109	3.590	40	30		BHEBMM