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-])Cc1cccc2c3ccccc3sc21	ZINC000000480908	182492159	/nfs/dbraw/zinc/49/21/59/182492159.db2.gz	JVQMEOLNEXMAJE-UHFFFAOYSA-N	-1	0	242.299	3.682	1	0		BHAFRM
COCCCCCCCCCC[C@H](F)C(=O)[O-]	ZINC000006482900	174176261	/nfs/dbraw/zinc/17/62/61/174176261.db2.gz	YQPQOBVFFLOPAA-LBPRGKRZSA-N	-1	0	248.338	3.566	1	0		BHAFRM
COCCCCCCCCCC[C@@H](F)C(=O)[O-]	ZINC000006482912	174176011	/nfs/dbraw/zinc/17/60/11/174176011.db2.gz	YQPQOBVFFLOPAA-GFCCVEGCSA-N	-1	0	248.338	3.566	1	0		BHAFRM
COCCCCCCCCC[C@H](F)CC(=O)[O-]	ZINC000006482926	174176478	/nfs/dbraw/zinc/17/64/78/174176478.db2.gz	IBAFQAPYQVLHCQ-LBPRGKRZSA-N	-1	0	248.338	3.566	1	0		BHAFRM
COCCCCCCCCC[C@@H](F)CC(=O)[O-]	ZINC000006482937	174176529	/nfs/dbraw/zinc/17/65/29/174176529.db2.gz	IBAFQAPYQVLHCQ-GFCCVEGCSA-N	-1	0	248.338	3.566	1	0		BHAFRM
S=C1CSc2c(ccc3ccccc32)[N-]1	ZINC000006576426	183312372	/nfs/dbraw/zinc/31/23/72/183312372.db2.gz	QRKULOHBEXBATE-UHFFFAOYSA-N	-1	0	231.345	3.685	1	0		BHAFRM
CC[C@H]1C(c2ccccc2)=CC[C@H](C(=O)[O-])[C@H]1C	ZINC000011680156	171603883	/nfs/dbraw/zinc/60/38/83/171603883.db2.gz	CLMFEXDZPBGYQQ-YUTCNCBUSA-N	-1	0	244.334	3.837	1	0		BHAFRM
C/C(=C\CC[C@@]1(C)[C@H]2C[C@@H]1C(C)=CC2)C(=O)[O-]	ZINC000013376485	168120970	/nfs/dbraw/zinc/12/09/70/168120970.db2.gz	CTORLPNPQPAKGI-HWHHQFFLSA-N	-1	0	234.339	3.790	1	0	endogenous,in-man	BHAFRM
C=C(C(=O)[O-])C1=C2C=C(C)CC[C@H]2[C@H](C)CC1	ZINC000013381535	290782122	/nfs/dbraw/zinc/78/21/22/290782122.db2.gz	TYEINKOPUFHKES-PWSUYJOCSA-N	-1	0	232.323	3.710	1	0	biogenic,in-vitro	BHAFRM
C[C@@H](C(=O)[O-])c1ccc(Nc2ccccc2)cc1	ZINC000026377439	175627054	/nfs/dbraw/zinc/62/70/54/175627054.db2.gz	YZXXKOJOBYISKD-LLVKDONJSA-N	-1	0	241.290	3.618	1	0		BHAFRM
C[C@H](C(=O)[O-])c1ccc(Nc2ccccc2)cc1	ZINC000026377442	176586188	/nfs/dbraw/zinc/58/61/88/176586188.db2.gz	YZXXKOJOBYISKD-NSHDSACASA-N	-1	0	241.290	3.618	1	0		BHAFRM
CCc1ccc([O-])c(C(=O)c2ccc(C)s2)c1	ZINC000028762063	171823407	/nfs/dbraw/zinc/82/34/07/171823407.db2.gz	CWBJHOKXRNQVLV-UHFFFAOYSA-N	-1	0	246.331	3.556	1	0		BHAFRM
O=C([O-])c1c(O)cccc1CCC1CCCCC1	ZINC000028861926	188110367	/nfs/dbraw/zinc/11/03/67/188110367.db2.gz	LUKKVEQXWFFWGR-UHFFFAOYSA-N	-1	0	248.322	3.603	1	0		BHAFRM
[O-]c1ccc(-c2nc3ccccc3o2)cc1Cl	ZINC000028964562	183266564	/nfs/dbraw/zinc/26/65/64/183266564.db2.gz	MMRWATBCSASKAI-UHFFFAOYSA-N	-1	0	245.665	3.854	1	0		BHAFRM
CC1=C[C@@H]2[C@H]([C@H](C)C(=O)[O-])CC[C@@H](C)[C@@H]2CC1	ZINC000033836175	290789285	/nfs/dbraw/zinc/78/92/85/290789285.db2.gz	JYGAZEJXUVDYHI-QMVSFRDZSA-N	-1	0	236.355	3.726	1	0	biogenic,in-vitro	BHAFRM
C[C@@H]1CC[C@@H]2CC3=C(C(=O)[O-])CC[C@@]31C2(C)C	ZINC000034803807	560086942	/nfs/dbraw/zinc/08/69/42/560086942.db2.gz	MFODEBYPUFXURM-FCHSOHFDSA-N	-1	0	234.339	3.624	1	0	biogenic,in-vitro	BHAFRM
C[C@H]1C=C[C@H]2C[C@H](C)CC[C@@H]2[C@H]1CCC(=O)[O-]	ZINC000038294088	176237700	/nfs/dbraw/zinc/23/77/00/176237700.db2.gz	PWQNLFCXVDTJKD-QMVSFRDZSA-N	-1	0	236.355	3.726	1	0		BHAFRM
O=C([O-])c1cccc2c(-c3ccncc3)cccc12	ZINC000045324489	188297404	/nfs/dbraw/zinc/29/74/04/188297404.db2.gz	CPAOWPWXOVMSFO-UHFFFAOYSA-N	-1	0	249.269	3.600	1	0		BHAFRM
C/C(=C\[C@@H]1CC2=C(C)CC[C@H]2[C@@H](C)C1)C(=O)[O-]	ZINC000070454998	290788558	/nfs/dbraw/zinc/78/85/58/290788558.db2.gz	KEXOELSKKSEHAC-GQRGDYHCSA-N	-1	0	234.339	3.790	1	0	biogenic,in-vitro	BHAFRM
CC(C)=CC/C(=C/c1ccccc1)C(=O)[O-]	ZINC000070455172	560047574	/nfs/dbraw/zinc/04/75/74/560047574.db2.gz	ZKVOPDUGWCSBPC-RAXLEYEMSA-N	-1	0	216.280	3.511	1	0	biogenic,in-vitro	BHAFRM
C[C@H]1C=C2C=C[C@H](C)[C@H](CCC(=O)[O-])[C@H]2CC1	ZINC000084704600	188317177	/nfs/dbraw/zinc/31/71/77/188317177.db2.gz	AZUBMNMSJJDMQQ-XWUBHJNHSA-N	-1	0	234.339	3.646	1	0		BHAFRM
Cc1c(C(=O)[O-])sc2c(C3CC3)csc12	ZINC000084706539	177573671	/nfs/dbraw/zinc/57/36/71/177573671.db2.gz	QQIFSDPSOLEYPN-UHFFFAOYSA-N	-1	0	238.333	3.847	1	0		BHAFRM
C[C@@H]1CC[C@@H]2[C@@H](/C=C/C(=O)[O-])[C@@H](C)C=C[C@H]2C1	ZINC000084724050	176237807	/nfs/dbraw/zinc/23/78/07/176237807.db2.gz	RUEMHNNYLHGNMT-HAGPYYNFSA-N	-1	0	234.339	3.502	1	0		BHAFRM
C[C@@H]1CC[C@@H]2/C(=C/CC(=O)[O-])[C@@H](C)C=C[C@H]2C1	ZINC000084724054	187971501	/nfs/dbraw/zinc/97/15/01/187971501.db2.gz	ORLOYGDCENCRMS-ZJBJDMGRSA-N	-1	0	234.339	3.646	1	0		BHAFRM
CC(C)C1=CC=C(C(=O)[O-])[C@H]2CC[C@@H](C)[C@H]2C1	ZINC000085827001	560066670	/nfs/dbraw/zinc/06/66/70/560066670.db2.gz	BYNOGUXCVFZVPZ-MPKXVKKWSA-N	-1	0	234.339	3.646	1	0	biogenic,in-vitro	BHAFRM
C[C@@H](CCC[C@]1(C)C2C[C@@H]3[C@H](C2)C31C)C(=O)[O-]	ZINC000085845240	574416795	/nfs/dbraw/zinc/41/67/95/574416795.db2.gz	GDGGAJNITUJKMP-CUQRPORWSA-N	-1	0	236.355	3.560	1	0	endogenous,in-man	BHAFRM
C[C@@H](CCC[C@@]1(C)C2C[C@@H]3[C@H](C2)C31C)C(=O)[O-]	ZINC000085845247	574416796	/nfs/dbraw/zinc/41/67/96/574416796.db2.gz	GDGGAJNITUJKMP-VEPKIKQASA-N	-1	0	236.355	3.560	1	0	endogenous,in-man	BHAFRM
C[C@H](CCC[C@@]1(C)C2C[C@@H]3[C@H](C2)C31C)C(=O)[O-]	ZINC000085845251	574416784	/nfs/dbraw/zinc/41/67/84/574416784.db2.gz	GDGGAJNITUJKMP-WNTVNYIQSA-N	-1	0	236.355	3.560	1	0	endogenous,in-man	BHAFRM
C/C(=C\CC[C@]1(C)[C@H]2C[C@@H]1C(C)=CC2)C(=O)[O-]	ZINC000100780001	571832139	/nfs/dbraw/zinc/83/21/39/571832139.db2.gz	CTORLPNPQPAKGI-IDMVNGPCSA-N	-1	0	234.339	3.790	1	0	endogenous,in-man	BHAFRM
CCOC([O-])=C1Sc2ccccc2N=C1C	ZINC000101646837	170179116	/nfs/dbraw/zinc/17/91/16/170179116.db2.gz	KPLWHFXUICOIAN-VAWYXSNFSA-N	-1	0	235.308	3.648	1	0		BHAFRM
CCOC([O-])=C1Sc2cc(C)ccc2N=C1C	ZINC000101930961	170179241	/nfs/dbraw/zinc/17/92/41/170179241.db2.gz	PGDJFUSTPHYOHG-OUKQBFOZSA-N	-1	0	249.335	3.957	1	0		BHAFRM
COC([O-])=C1Sc2cc(C)ccc2N=C1C	ZINC000102763439	173491344	/nfs/dbraw/zinc/49/13/44/173491344.db2.gz	KWMCYWDRIYQRSU-VAWYXSNFSA-N	-1	0	235.308	3.567	1	0		BHAFRM
Cc1cc2c(c(C)c1C(=O)[O-])CCCC2(C)C	ZINC000103192351	178281708	/nfs/dbraw/zinc/28/17/08/178281708.db2.gz	TXCRZTIDNOXEEI-UHFFFAOYSA-N	-1	0	232.323	3.616	1	0		BHAFRM
C[C@H](CCC[C@]1(C)C2C[C@@H]3[C@H](C2)C31C)C(=O)[O-]	ZINC000104378338	571843290	/nfs/dbraw/zinc/84/32/90/571843290.db2.gz	GDGGAJNITUJKMP-ZOYMKACTSA-N	-1	0	236.355	3.560	1	0	endogenous,in-man	BHAFRM
C[C@@H](C(=O)[O-])c1ccc2c(c1)C[C@H]1CCCC[C@@H]21	ZINC000169318773	175626704	/nfs/dbraw/zinc/62/67/04/175626704.db2.gz	HNEPTMLCGOUKJY-MPKXVKKWSA-N	-1	0	244.334	3.705	1	0		BHAFRM
C/C(=C\[C@@H]1CC[C@@H](C)[C@@H]2CCC(C)=C21)C(=O)[O-]	ZINC000008586438	168090769	/nfs/dbraw/zinc/09/07/69/168090769.db2.gz	FEBNTWHYQKGEIQ-LFTUTBLZSA-N	-1	0	234.339	3.790	2	0	endogenous,in-man	BHAFRM
[S-]c1cccc(Cc2ccccc2)c1	ZINC000078565712	398260681	/nfs/dbraw/zinc/26/06/81/398260681.db2.gz	RREKLZDHTBFRHA-UHFFFAOYSA-N	-1	0	200.306	3.566	2	0		BHAFRM
Fc1ccc(Cc2cccc([S-])c2)cc1	ZINC000086863234	385055761	/nfs/dbraw/zinc/05/57/61/385055761.db2.gz	PWAMFFWBCBSVSZ-UHFFFAOYSA-N	-1	0	218.296	3.705	2	0		BHAFRM
O=C([O-])Cc1ccc(-c2ccccc2)c(Cl)c1	ZINC000200345537	368353776	/nfs/dbraw/zinc/35/37/76/368353776.db2.gz	XEBCWPKKJIIRME-UHFFFAOYSA-N	-1	0	246.693	3.634	2	0		BHAFRM
[S-]c1cccc([C@@H]2CC2(Cl)Cl)c1	ZINC000201510964	368353704	/nfs/dbraw/zinc/35/37/04/368353704.db2.gz	RNVFOBQNTIXCLU-QMMMGPOBSA-N	-1	0	219.136	3.637	2	0		BHAFRM
[S-]c1cccc([C@H]2CC2(Cl)Cl)c1	ZINC000201511000	368353691	/nfs/dbraw/zinc/35/36/91/368353691.db2.gz	RNVFOBQNTIXCLU-MRVPVSSYSA-N	-1	0	219.136	3.637	2	0		BHAFRM