smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](C(=O)[O-])c1ccc(SC2CCCC2)cc1F	ZINC000084727372	178921636	/nfs/dbraw/zinc/92/16/36/178921636.db2.gz	BVYDMKMKENYDCP-SECBINFHSA-N	-1	0	268.353	4.049	1	0		CIAFRM
S=C1[N-]c2ccccc2S[C@@H]1c1ccccc1	ZINC000006575605	170214686	/nfs/dbraw/zinc/21/46/86/170214686.db2.gz	OIBQUGLWNLRKKW-CYBMUJFWSA-N	-1	0	257.383	4.273	1	0		CIAFRM
Cc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2[O-])c1	ZINC000072105432	176316502	/nfs/dbraw/zinc/31/65/02/176316502.db2.gz	MMTKIPWCPIXSCS-UHFFFAOYSA-N	-1	0	296.153	4.260	1	0		CIAFRM
CCCn1c2c(c3cccc(C(=O)[O-])c31)CCCCC2	ZINC000034057119	581099165	/nfs/dbraw/zinc/09/91/65/581099165.db2.gz	RVCKUNHESHQUNQ-UHFFFAOYSA-N	-1	0	271.360	4.018	1	0		CIAFRM
O=C([O-])C[C@@H]1c2ccccc2-c2ccc3ccccc3c21	ZINC000095618174	185016562	/nfs/dbraw/zinc/01/65/62/185016562.db2.gz	GQNBDGXKDJSVGQ-QGZVFWFLSA-N	-1	0	274.319	4.427	1	0	endogenous,in-man	CIAFRM
O=C([O-])c1c(O)cccc1/C=C\c1ccc2ccccc2c1	ZINC000096903477	185127720	/nfs/dbraw/zinc/12/77/20/185127720.db2.gz	NWPMAAFXGSRHJQ-LUAWRHEFSA-N	-1	0	290.318	4.414	1	0		CIAFRM
O=c1cc(-c2csc3ccccc32)oc2cc([O-])ccc12	ZINC000096914982	185128897	/nfs/dbraw/zinc/12/88/97/185128897.db2.gz	LOXGGQBHVVUZOY-UHFFFAOYSA-N	-1	0	294.331	4.380	1	0		CIAFRM
COc1cc(C(=O)[O-])ccc1[C@@H](C)/C=C/C=C(C)C	ZINC000014444337	170634366	/nfs/dbraw/zinc/63/43/66/170634366.db2.gz	YEIOFTMZKDEMAB-PZBABLGHSA-N	-1	0	260.333	4.019	1	0		CIAFRM
O=C([O-])c1cc(-c2ccc(Cl)s2)c(Cl)cc1O	ZINC000073167475	176458549	/nfs/dbraw/zinc/45/85/49/176458549.db2.gz	PTONRMSBTUNKGI-UHFFFAOYSA-N	-1	0	289.139	4.126	1	0		CIAFRM
O=C([O-])C[C@H]1c2ccccc2-c2ccc3ccccc3c21	ZINC000095618175	185016605	/nfs/dbraw/zinc/01/66/05/185016605.db2.gz	GQNBDGXKDJSVGQ-KRWDZBQOSA-N	-1	0	274.319	4.427	1	0	endogenous,in-man	CIAFRM
CCCCCOCCCCCCCCCC(=O)[O-]	ZINC000096907387	185128241	/nfs/dbraw/zinc/12/82/41/185128241.db2.gz	TYZFJAUBALNNSQ-UHFFFAOYSA-N	-1	0	258.402	4.399	1	0		CIAFRM
C[C@H](C(=O)[O-])c1ccc(SC2CCCC2)cc1F	ZINC000084727368	178921716	/nfs/dbraw/zinc/92/17/16/178921716.db2.gz	BVYDMKMKENYDCP-VIFPVBQESA-N	-1	0	268.353	4.049	1	0		CIAFRM
CCCCCC[C@H]1SC(=O)c2ccccc2[C@@H]1C(=O)[O-]	ZINC000040411759	174254456	/nfs/dbraw/zinc/25/44/56/174254456.db2.gz	LNZILVFVSDLPMP-KGLIPLIRSA-N	-1	0	292.400	4.081	1	0		CIAFRM
CC(C)=CCC/C(C)=C/COc1cc(C(=O)[O-])ccc1O	ZINC000084154694	560045729	/nfs/dbraw/zinc/04/57/29/560045729.db2.gz	PCIWHHWVYOFPEM-UKTHLTGXSA-N	-1	0	290.359	4.162	1	0	biogenic,in-vitro	CIAFRM
CCCCCCOCCCCCCCCC(=O)[O-]	ZINC000096907386	185128648	/nfs/dbraw/zinc/12/86/48/185128648.db2.gz	FWPBSFXTRWSMSN-UHFFFAOYSA-N	-1	0	258.402	4.399	1	0		CIAFRM
C[C@]12CCC([P@@H](=O)[O-])=CC1=CCc1cc(Cl)ccc12	ZINC000026398330	171482551	/nfs/dbraw/zinc/48/25/51/171482551.db2.gz	UAUZBNZBYMGCIQ-HNNXBMFYSA-N	-1	0	294.718	4.225	1	0		CIAFRM
C[C@@H](c1ccsc1C(=O)[O-])c1cccc(Cl)c1	ZINC000086865050	327159402	/nfs/dbraw/zinc/15/94/02/327159402.db2.gz	RHQYSFZMZLGTDC-MRVPVSSYSA-N	-1	0	266.749	4.252	2	0		CIAFRM
C[C@@H](C(=O)[O-])c1ccc(-c2ccc3[nH]ccc3c2)cc1	ZINC000026838248	581097802	/nfs/dbraw/zinc/09/78/02/581097802.db2.gz	NSKFZVRZALCZND-LLVKDONJSA-N	-1	0	265.312	4.023	1	0	in-vivo	CIAFRM
S=C([S-])OCC(c1ccccc1)c1ccccc1	ZINC000096908196	185128153	/nfs/dbraw/zinc/12/81/53/185128153.db2.gz	KJUPTYSMEBBTQO-UHFFFAOYSA-N	-1	0	274.410	4.050	1	0		CIAFRM
S=c1[n-]c2ccc(Br)cc2c(=S)s1	ZINC000006567337	170214263	/nfs/dbraw/zinc/21/42/63/170214263.db2.gz	RVXQTHWTKITLDI-UHFFFAOYSA-N	-1	0	290.232	4.451	1	0		CIAFRM
Cc1cc(C)cc(-c2ccc([C@H](C)C(=O)[O-])cc2F)c1	ZINC000026835943	171500790	/nfs/dbraw/zinc/50/07/90/171500790.db2.gz	CSCOFCJZZSLCNM-LBPRGKRZSA-N	-1	0	272.319	4.298	1	0		CIAFRM
CC(C)(C)c1cc(/C=C\C(=O)[O-])c(O)c(C(C)(C)C)c1	ZINC000028654512	171569756	/nfs/dbraw/zinc/56/97/56/171569756.db2.gz	FCVBGSCSWVZELH-FPLPWBNLSA-N	-1	0	276.376	4.085	1	0		CIAFRM
O=C([O-])c1c(O)cccc1/C=C/c1ccc2ccccc2c1	ZINC000095589614	185014198	/nfs/dbraw/zinc/01/41/98/185014198.db2.gz	NWPMAAFXGSRHJQ-PKNBQFBNSA-N	-1	0	290.318	4.414	1	0		CIAFRM
CC(C)c1ccc(-c2cc(=O)c3ccc([O-])cc3o2)cc1	ZINC000096914984	185129476	/nfs/dbraw/zinc/12/94/76/185129476.db2.gz	MNPRXNBRKPFOQB-UHFFFAOYSA-N	-1	0	280.323	4.289	1	0		CIAFRM
O=C([O-])CC/C=C\C[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1c1cccnc1	ZINC000013822084	170599104	/nfs/dbraw/zinc/59/91/04/170599104.db2.gz	WDQMLODRNDPFTE-PDOMNKAMSA-N	-1	0	285.387	4.022	1	0		CIAFRM
Cc1cc(C)cc(-c2ccc(C(C)(C)C(=O)[O-])cc2O)c1	ZINC000028822091	171576539	/nfs/dbraw/zinc/57/65/39/171576539.db2.gz	PWIPXOFDSUFNJQ-UHFFFAOYSA-N	-1	0	284.355	4.038	1	0		CIAFRM
CC(C)(C)c1cccc([C@@H]2O[C@@H]2c2ccc(C(=O)[O-])cc2)c1	ZINC000034110900	171831270	/nfs/dbraw/zinc/83/12/70/171831270.db2.gz	MLYDRXAOQWKMFF-SJORKVTESA-N	-1	0	296.366	4.495	1	0		CIAFRM
O=C([O-])CC1(Cc2ccccc2)C2CC3CC(C2)CC1C3	ZINC000072318595	176368773	/nfs/dbraw/zinc/36/87/73/176368773.db2.gz	ACBLWEKLASKGDT-UHFFFAOYSA-N	-1	0	284.399	4.146	1	0		CIAFRM
CC(C)c1cccc2c([C@H](O)C3CC3)cc(C(=O)[O-])c-2c1	ZINC000026716471	171496117	/nfs/dbraw/zinc/49/61/17/171496117.db2.gz	ZUARCLPPMSRYAJ-QGZVFWFLSA-N	-1	0	284.355	4.056	1	0		CIAFRM
O=C([O-])CCc1ccc2oc(-c3ccccc3)cc2c1	ZINC000071329762	176124440	/nfs/dbraw/zinc/12/44/40/176124440.db2.gz	XOXKYEJIFOAUNL-UHFFFAOYSA-N	-1	0	266.296	4.117	1	0		CIAFRM
CCC[C@@H](O)/C=C\C=C/CCCCCCCC(=O)[O-]	ZINC000033831741	560088694	/nfs/dbraw/zinc/08/86/94/560088694.db2.gz	MMCGXPYQSCQHMN-JQEHYENTSA-N	-1	0	268.397	4.075	1	0	biogenic,in-vitro	CIAFRM
O=C([O-])/C=C/c1cc2cc(-c3ccccc3F)oc2c(O)c1	ZINC000096934940	185132914	/nfs/dbraw/zinc/13/29/14/185132914.db2.gz	PBPLVVYMPGTSQW-AATRIKPKSA-N	-1	0	298.269	4.042	1	0		CIAFRM
O=C([O-])c1ccccc1[C@@H]1CCCc2c3ccccc3[nH]c21	ZINC000006004229	170166923	/nfs/dbraw/zinc/16/69/23/170166923.db2.gz	ZRWUYGOGEWMYLT-AWEZNQCLSA-N	-1	0	291.350	4.334	1	0		CIAFRM
CSc1cc(-c2ccc(C)cc2)c(C(=O)[O-])s1	ZINC000006522790	170209575	/nfs/dbraw/zinc/20/95/75/170209575.db2.gz	LUJHRHCZCLRSSC-UHFFFAOYSA-N	-1	0	264.371	4.144	1	0		CIAFRM
O=C([O-])c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1	ZINC000027710938	171529824	/nfs/dbraw/zinc/52/98/24/171529824.db2.gz	LIOGBRNAEJMZBU-UHFFFAOYSA-N	-1	0	298.729	4.095	1	0		CIAFRM
CC1(C)[C@H]2CC3=C(C(=O)[O-])C[C@@H]4CCC[C@H](CC2)[C@]341	ZINC000085549174	560071980	/nfs/dbraw/zinc/07/19/80/560071980.db2.gz	CMNAVJSNVLETEN-YXPOGWMNSA-N	-1	0	260.377	4.014	1	0	biogenic,in-vitro	CIAFRM
CC(/C=C/C=C(\C)c1ccc2c(c1)C(C)(C)CO2)=C\C(=O)[O-]	ZINC000013781194	170593424	/nfs/dbraw/zinc/59/34/24/170593424.db2.gz	COEVCTWDIQBWEC-SEBRYRKESA-N	-1	0	298.382	4.347	1	0		CIAFRM
CCCc1c2cc(C(=O)[O-])ccc2[nH]c1-c1ccccc1	ZINC000022114706	171353088	/nfs/dbraw/zinc/35/30/88/171353088.db2.gz	ZWRNYSQQQUDQKR-UHFFFAOYSA-N	-1	0	279.339	4.486	1	0		CIAFRM
CC(C)=CCc1cc(/C=C\C(=O)[O-])cc2c1OC(C)(C)C=C2	ZINC000040430507	174259820	/nfs/dbraw/zinc/25/98/20/174259820.db2.gz	ZKUFWHYBAKVWMB-VURMDHGXSA-N	-1	0	298.382	4.477	1	0		CIAFRM
CCc1ccc(CC/C(=C\C(=O)[O-])c2ccccc2)cc1	ZINC000043016927	174943681	/nfs/dbraw/zinc/94/36/81/174943681.db2.gz	GOQLHNSDXSPJJB-NBVRZTHBSA-N	-1	0	280.367	4.350	1	0		CIAFRM
CC(C)=CCCc1c2occc2c([O-])c2ccc(=O)oc21	ZINC000059587833	560082788	/nfs/dbraw/zinc/08/27/88/560082788.db2.gz	DMKYEHHXGYNLJT-UHFFFAOYSA-N	-1	0	284.311	4.144	1	0	biogenic,in-vitro	CIAFRM
CC(C)=CCC/C(C)=C/COc1ccc(C(=O)[O-])cc1O	ZINC000028890777	560091441	/nfs/dbraw/zinc/09/14/41/560091441.db2.gz	WSNILKGNSNUWSJ-UKTHLTGXSA-N	-1	0	290.359	4.162	1	0	biogenic,in-vitro	CIAFRM
C[C@H](C(=O)[O-])c1ccc(-c2ccc3[nH]ccc3c2)cc1	ZINC000026838252	581098219	/nfs/dbraw/zinc/09/82/19/581098219.db2.gz	NSKFZVRZALCZND-NSHDSACASA-N	-1	0	265.312	4.023	1	0	in-vivo	CIAFRM
CCc1ccc(C(=O)C[C@H](CC(=O)[O-])c2ccccc2)cc1	ZINC000095571647	185010501	/nfs/dbraw/zinc/01/05/01/185010501.db2.gz	CIXLSMFFTQPEKR-QGZVFWFLSA-N	-1	0	296.366	4.080	1	0		CIAFRM
COc1cccc(-c2ccc3c(c2)C(C)(C)OC(=S)[N-]3)c1	ZINC000013488846	170555552	/nfs/dbraw/zinc/55/55/52/170555552.db2.gz	UMQGDADSFKJZKD-UHFFFAOYSA-N	-1	0	299.395	4.324	1	0		CIAFRM
C[C@H](C(=O)[O-])c1ccc(Nc2ccc3ccccc3n2)cc1	ZINC000026380072	171480854	/nfs/dbraw/zinc/48/08/54/171480854.db2.gz	PNRFUVZZLREITI-LBPRGKRZSA-N	-1	0	292.338	4.167	1	0		CIAFRM
C[C@H](C(=O)[O-])c1cccc2c3cc(Cl)ccc3[nH]c21	ZINC000028457535	171559123	/nfs/dbraw/zinc/55/91/23/171559123.db2.gz	HUHCRAHALMMXEL-QMMMGPOBSA-N	-1	0	273.719	4.163	1	0		CIAFRM
C[C@H](c1ccsc1C(=O)[O-])c1cccc(Cl)c1	ZINC000086865049	327159439	/nfs/dbraw/zinc/15/94/39/327159439.db2.gz	RHQYSFZMZLGTDC-QMMMGPOBSA-N	-1	0	266.749	4.252	2	0		CIAFRM
CC(/C=C/C(=O)[O-])=C\[C@H](C)Oc1ccc(C(C)C)cc1	ZINC000066100284	519347319	/nfs/dbraw/zinc/34/73/19/519347319.db2.gz	PTNGODXOBZIUBY-IVFHNJPFSA-N	-1	0	274.360	4.164	1	0		CIAFRM
CC(C)=CCc1cc(C(C)=O)cc(C(=O)CC(C)C)c1[O-]	ZINC000014656339	560224141	/nfs/dbraw/zinc/22/41/41/560224141.db2.gz	IIPPDPOVKMGPAU-UHFFFAOYSA-N	-1	0	288.387	4.332	1	0	biogenic,in-vitro	CIAFRM
O=C([O-])/C=C/c1cc2cc(-c3cccc(F)c3)oc2c(O)c1	ZINC000096934941	185133434	/nfs/dbraw/zinc/13/34/34/185133434.db2.gz	OVHFHYHGUVADEJ-SNAWJCMRSA-N	-1	0	298.269	4.042	1	0		CIAFRM
O=C([O-])/C=C1\c2ccccc2C[C@@H]1Cc1ccc(Cl)cc1	ZINC000101822849	185759737	/nfs/dbraw/zinc/75/97/37/185759737.db2.gz	UWSMWVUIAMBMPV-FMNVXAMXSA-N	-1	0	298.769	4.223	1	0		CIAFRM
S=C1[N-]c2ccccc2S[C@H]1c1ccccc1	ZINC000006575734	170214726	/nfs/dbraw/zinc/21/47/26/170214726.db2.gz	OIBQUGLWNLRKKW-ZDUSSCGKSA-N	-1	0	257.383	4.273	1	0		CIAFRM
Cc1ccc(-n2[n-]c3c(c2=O)CSc2ccccc2-3)cc1	ZINC000027899866	171537310	/nfs/dbraw/zinc/53/73/10/171537310.db2.gz	WLFSMPXDENUTNL-UHFFFAOYSA-N	-1	0	294.379	4.159	1	0		CIAFRM
CC(C)(C)c1cc(C(C)(C)C(=O)[O-])cc(C(C)(C)C)c1O	ZINC000034579260	171844579	/nfs/dbraw/zinc/84/45/79/171844579.db2.gz	IOFHRZYRSWFETD-UHFFFAOYSA-N	-1	0	292.419	4.349	1	0		CIAFRM
Cc1cc(Cl)cc(C[C@]2(CC(=O)[O-])CC=CS2)c1	ZINC000086861297	327159250	/nfs/dbraw/zinc/15/92/50/327159250.db2.gz	WXWZTBWVIBQSPE-AWEZNQCLSA-N	-1	0	282.792	4.055	2	0		CIAFRM
C[C@]12CCCC(C)(C)[C@@H]3[C@H]1CC[C@@H]3[C@@H]2/C=C\C(=O)[O-]	ZINC000028645601	171568702	/nfs/dbraw/zinc/56/87/02/171568702.db2.gz	GJJHTBCLJPYCHX-BPGUSJOJSA-N	-1	0	262.393	4.116	1	0		CIAFRM
C[C@]12CCCC(C)(C)[C@@H]3[C@H]1CC[C@@H]3[C@@H]2/C=C/C(=O)[O-]	ZINC000028645598	171568768	/nfs/dbraw/zinc/56/87/68/171568768.db2.gz	GJJHTBCLJPYCHX-PWBGTMINSA-N	-1	0	262.393	4.116	1	0		CIAFRM
CC[C@@]1(C)O[C@@H]1CC/C(C)=C/CC/C(C)=C/C(=O)[O-]	ZINC000004096559	560194220	/nfs/dbraw/zinc/19/42/20/560194220.db2.gz	CZRJNVJQSPMQTQ-DABJYTMYSA-N	-1	0	266.381	4.092	1	0	in-vitro	CIAFRM
COc1c(Nc2ccc(C(=O)[O-])cc2)ccc2ccccc21	ZINC000095556221	185008533	/nfs/dbraw/zinc/00/85/33/185008533.db2.gz	SVFNGQVLLCXZMY-UHFFFAOYSA-N	-1	0	293.322	4.290	1	0		CIAFRM
O=c1cc(-c2ccc3ccccc3c2)oc2cc([O-])ccc12	ZINC000096915001	185129405	/nfs/dbraw/zinc/12/94/05/185129405.db2.gz	MZSUPJWHIPYNEG-UHFFFAOYSA-N	-1	0	288.302	4.319	1	0		CIAFRM
O=C(C=C([O-])c1ccccc1Cl)c1ccc(F)cc1F	ZINC000103223600	185817366	/nfs/dbraw/zinc/81/73/66/185817366.db2.gz	RBXCPPWASGZLTC-UHFFFAOYSA-N	-1	0	294.684	4.074	1	0		CIAFRM
CC(C)c1csc2[nH]c(=O)c(-c3ccccc3)c([O-])c12	ZINC000013680002	170577299	/nfs/dbraw/zinc/57/72/99/170577299.db2.gz	BLARTJWPDDGSPV-UHFFFAOYSA-N	-1	0	285.368	4.086	1	0		CIAFRM
Cc1ccccc1NC(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000072112687	176317689	/nfs/dbraw/zinc/31/76/89/176317689.db2.gz	UVMBTZYLGKLPAM-UHFFFAOYSA-N	-1	0	296.153	4.260	1	0		CIAFRM
O=C([O-])CCCCOc1ccc(/C=C/c2ccccc2)cc1	ZINC000072118206	176319249	/nfs/dbraw/zinc/31/92/49/176319249.db2.gz	RDDWSPQQHUIGAG-MDZDMXLPSA-N	-1	0	296.366	4.491	1	0		CIAFRM
CC(C)=CCC/C(C)=C/COc1ccccc1C(=O)[O-]	ZINC000086864955	327159386	/nfs/dbraw/zinc/15/93/86/327159386.db2.gz	GKBNJOLVPRPWCD-SDNWHVSQSA-N	-1	0	274.360	4.456	2	0		CIAFRM
CCc1ccc(C(=O)C[C@@H](CC(=O)[O-])c2ccccc2)cc1	ZINC000095571646	185010692	/nfs/dbraw/zinc/01/06/92/185010692.db2.gz	CIXLSMFFTQPEKR-KRWDZBQOSA-N	-1	0	296.366	4.080	1	0		CIAFRM
CCCCC[C@@H](CC)Cc1cccc(O)c1C(=O)[O-]	ZINC000028861931	171578253	/nfs/dbraw/zinc/57/82/53/171578253.db2.gz	WGYKITIEQQFIPZ-GFCCVEGCSA-N	-1	0	264.365	4.239	1	0		CIAFRM
CC(C)(C(=O)[O-])c1ccc2c(c1)[nH]c1ccc(Cl)cc12	ZINC000038879641	174159023	/nfs/dbraw/zinc/15/90/23/174159023.db2.gz	LYLKRAQBZHOQKU-UHFFFAOYSA-N	-1	0	287.746	4.337	1	0		CIAFRM
Cc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2[O-])cc1	ZINC000072107455	176316849	/nfs/dbraw/zinc/31/68/49/176316849.db2.gz	BRMGEEGAOHIXQF-UHFFFAOYSA-N	-1	0	296.153	4.260	1	0		CIAFRM
CC(/C=C/C(=O)[O-])=C\COc1cccc(-c2ccccc2)c1	ZINC000066111822	519346052	/nfs/dbraw/zinc/34/60/52/519346052.db2.gz	UDEJUCYDHBHGOI-GCHFJXRNSA-N	-1	0	294.350	4.320	1	0		CIAFRM
CCCCC[C@@H](O)/C=C\CCCCCCCC(=O)[O-]	ZINC000085506125	560074584	/nfs/dbraw/zinc/07/45/84/560074584.db2.gz	JXWASSOXIPAXFH-VSKPTYQZSA-N	-1	0	270.413	4.299	1	0	biogenic,in-vitro	CIAFRM
CCCOCCCCCCCCCCCC(=O)[O-]	ZINC000096907388	185128407	/nfs/dbraw/zinc/12/84/07/185128407.db2.gz	IWWUWMOSSXPMBA-UHFFFAOYSA-N	-1	0	258.402	4.399	1	0		CIAFRM
O=C([O-])/C=C/c1cc2cc(-c3ccc(F)cc3)oc2c(O)c1	ZINC000096934942	185133017	/nfs/dbraw/zinc/13/30/17/185133017.db2.gz	JKSYCVCPFTXTFH-LZCJLJQNSA-N	-1	0	298.269	4.042	1	0		CIAFRM
COc1cc(/C=C/C(=O)[O-])cc2cc(-c3ccccc3)oc21	ZINC000096934925	185133273	/nfs/dbraw/zinc/13/32/73/185133273.db2.gz	MNGQFQZEMHENGD-BQYQJAHWSA-N	-1	0	294.306	4.206	1	0		CIAFRM
O=C([O-])COc1ccc(Cl)cc1C1CCCCCC1	ZINC000013986067	170613939	/nfs/dbraw/zinc/61/39/39/170613939.db2.gz	JEPDINCGXLHLDF-UHFFFAOYSA-N	-1	0	282.767	4.241	1	0	in-vivo	CIAFRM
CCCCCCN(CCCCCC)c1cc(C(=O)[O-])n[nH]1	ZINC000042988533	174940070	/nfs/dbraw/zinc/94/00/70/174940070.db2.gz	KREBUSYHTIBYKI-UHFFFAOYSA-N	-1	0	295.427	4.075	1	0		CIAFRM
O=C([O-])/C=C(/CCc1cccc(Cl)c1)c1ccccc1	ZINC000043060872	174961348	/nfs/dbraw/zinc/96/13/48/174961348.db2.gz	KAYAXPZXCMOYJV-QINSGFPZSA-N	-1	0	286.758	4.441	1	0		CIAFRM
O=C([O-])CC1(c2ccc(F)cc2)C2CCCC1CCC2	ZINC000072318593	176368872	/nfs/dbraw/zinc/36/88/72/176368872.db2.gz	FSAKMATXHVNLEI-UHFFFAOYSA-N	-1	0	276.351	4.138	1	0		CIAFRM
Cc1cc(Cl)cc(C[C@@]2(CC(=O)[O-])CC=CS2)c1	ZINC000086861299	327159260	/nfs/dbraw/zinc/15/92/60/327159260.db2.gz	WXWZTBWVIBQSPE-CQSZACIVSA-N	-1	0	282.792	4.055	2	0		CIAFRM