smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cc(-c2ccc(C=NN=c3[n-]c4nonc4nc3Nc3ccccc3F)o2)ccc1Cl	ZINC000025809402	563020562	/nfs/dbraw/zinc/02/05/62/563020562.db2.gz	XXNPEDWWYRIJFR-KIBLKLHPSA-N	-2	3	493.842	4.953	1	30		JJEFHL
COc1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1N=Cc1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000017723208	563014268	/nfs/dbraw/zinc/01/42/68/563014268.db2.gz	AUSHKZQFDAGORY-WGOQTCKBSA-N	-2	3	476.558	4.755	1	30		JJEFHL
C=C(C)[C@H](CCC(C)(C)O)Cc1c([O-])cc(OC)c2c(=O)cc(-c3ccc(O)cc3[O-])oc12	ZINC000033832173	291532446	/nfs/dbraw/zinc/53/24/46/291532446.db2.gz	XHKJFVBDJVBISC-OAHLLOKOSA-N	-2	3	454.519	4.871	1	30	biogenic,in-vitro	JJEFHL
COc1c2occc2c(OC)c(/C(C)=N/N=C(\C)c2c([O-])c(OC)c3occc3c2OC)c1[O-]	ZINC000013560657	562975438	/nfs/dbraw/zinc/97/54/38/562975438.db2.gz	RAXANPLZQVTGNF-KOZSXFMUSA-N	-2	3	468.462	4.858	1	30		JJEFHL
CCOC(=O)c1ccc(/N=C/c2ccc(/C=N/c3ccc(C(=O)OCC)c([O-])c3)cc2)cc1[O-]	ZINC000012403167	562959879	/nfs/dbraw/zinc/95/98/79/562959879.db2.gz	QXMZLWFAGDVTJK-DPCVLPDWSA-N	-2	3	460.486	4.952	1	30		JJEFHL
COc1cc([C@@H](C)N([O-])C(=O)c2ccccc2-c2ccccc2C(=O)[O-])cc(OC)c1OC	ZINC000013606312	562978751	/nfs/dbraw/zinc/97/87/51/562978751.db2.gz	NAUQEKMWNAXHEB-OAHLLOKOSA-N	-2	3	451.475	4.670	1	30		JJEFHL
O=C1/C(=C/c2ccc([O-])c(Br)c2)COC/C1=C\c1ccc([O-])c(Br)c1	ZINC000029051652	563093106	/nfs/dbraw/zinc/09/31/06/563093106.db2.gz	LCODDPXLJUAIEK-ACFHMISVSA-N	-2	3	466.125	4.689	1	30		JJEFHL
CC(=O)Nc1ccc(N=Cc2nc(-c3ccc(C(F)(F)F)c(F)c3)oc2[O-])c(C(=O)[O-])c1	ZINC000013588221	562977490	/nfs/dbraw/zinc/97/74/90/562977490.db2.gz	IWGBHHQXQBSNHT-ZNLRHDTNSA-N	-2	3	451.332	4.612	1	30		JJEFHL
C=C(C)[C@@H](CCC(C)(C)O)Cc1c([O-])cc(OC)c(C(=O)C(=O)Cc2ccc(O)cc2O)c1[O-]	ZINC000059586137	291531217	/nfs/dbraw/zinc/53/12/17/291531217.db2.gz	WIZTTYONBFRXCA-SYZMQFJCSA-N	-2	3	472.534	4.585	1	30	biogenic,in-vitro	JJEFHL
CCCCCCCC/C=C\CCCCCCCC(=O)NCCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000043356627	563169581	/nfs/dbraw/zinc/16/95/81/563169581.db2.gz	YJTIRCNWZUWHDJ-KTKRTIGZSA-N	-4	3	499.522	4.532	1	30		JJEFHL
C=CCOc1cc(/C=C/C(=O)c2c([O-])cc([O-])cc2OC)cc(OCC=C)c1Br	ZINC000045339376	563191091	/nfs/dbraw/zinc/19/10/91/563191091.db2.gz	GXGWFULBDIOPAN-VOTSOKGWSA-N	-2	3	461.308	4.895	1	30		JJEFHL
CCCCCCCCCCCCOc1cncc(CC(P(=O)([O-])[O-])P(=O)([O-])[O-])c1	ZINC000049881486	563204565	/nfs/dbraw/zinc/20/45/65/563204565.db2.gz	QQFXMPQFWVHIMP-UHFFFAOYSA-N	-4	3	451.437	4.605	1	30		JJEFHL
C=C(C)[C@H](CCC(C)(C)O)Cc1c([O-])cc(OC)c2c1oc(-c1ccc(O)cc1[O-])c(O)c2=O	ZINC000070454328	291532494	/nfs/dbraw/zinc/53/24/94/291532494.db2.gz	DFWXCFRJHQTPPZ-CQSZACIVSA-N	-2	3	470.518	4.577	1	30	biogenic,in-vitro	JJEFHL
COc1c([O-])cc2c(c1C(=O)[O-])C(=O)C=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)[C@@H](O)[C@]3(C)CC[C@]12C	ZINC000013916082	563004631	/nfs/dbraw/zinc/00/46/31/563004631.db2.gz	BDVILRAWCBIVCO-BCBRGWOLSA-N	-2	3	496.600	4.672	1	30		JJEFHL
O=C(C=Cc1ccc([O-])c(Br)c1)CC(=O)C=Cc1ccc([O-])c(Br)c1	ZINC000028636346	563071820	/nfs/dbraw/zinc/07/18/20/563071820.db2.gz	UHVZSURAKANLBT-IJIVKGSJSA-N	-2	3	466.125	4.878	1	30		JJEFHL
N#Cc1ccc2c(c1)[n-]c([O-])c(C(=O)Nc1ccc(OCCCCCCCC(=O)[O-])cc1)c2=O	ZINC000013440368	562963028	/nfs/dbraw/zinc/96/30/28/562963028.db2.gz	YLOUXWDWVIVUCW-UHFFFAOYSA-N	-3	3	463.490	4.574	1	30		JJEFHL
N#Cc1ccc2c([O-])c(C(=O)Nc3ccc(OCCCCCCCC(=O)[O-])cc3)c(O)nc2c1	ZINC000013440368	562963029	/nfs/dbraw/zinc/96/30/29/562963029.db2.gz	YLOUXWDWVIVUCW-UHFFFAOYSA-N	-2	3	463.490	4.574	1	30		JJEFHL
COc1cc([C@H](C)N([O-])C(=O)c2ccccc2-c2ccccc2C(=O)[O-])cc(OC)c1OC	ZINC000013606314	562978749	/nfs/dbraw/zinc/97/87/49/562978749.db2.gz	NAUQEKMWNAXHEB-HNNXBMFYSA-N	-2	3	451.475	4.670	1	30		JJEFHL
C=C[C@]1(C)C[C@@H](OC([O-])=NC(=O)c2ccc([O-])cc2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O	ZINC000045320025	563187902	/nfs/dbraw/zinc/18/79/02/563187902.db2.gz	WCSLWLXHOXMSMA-BGRQNGEGSA-N	-2	3	483.605	4.622	1	30		JJEFHL
COc1c([O-])cc2c(c1C(=O)[O-])C(=O)C=C1[C@@]2(C)CC[C@@]2(C)[C@H]3C[C@@H](C)C(=O)[C@@H](O)[C@]3(C)CC[C@]12C	ZINC000003974910	562931329	/nfs/dbraw/zinc/93/13/29/562931329.db2.gz	BDVILRAWCBIVCO-RNOWAJLLSA-N	-2	3	496.600	4.672	1	30		JJEFHL