smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)Cc1nnc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)[n-]1	ZINC000328594188	532793743	/nfs/dbraw/zinc/79/37/43/532793743.db2.gz	XUQBXOIQKRDXAV-UHFFFAOYSA-N	-2	3	380.813	2.128	50	0		GEAAHL
CC[C@H](C)[C@H](NC(=O)COc1cc([O-])c2c(c1)OC(C)(C)CC2=O)C(=O)[O-]	ZINC000020426844	570255210	/nfs/dbraw/zinc/25/52/10/570255210.db2.gz	WSWXQLGNHUSJOR-BTDLBPIBSA-N	-2	3	379.409	2.130	50	0		GEAAHL
O=C1[N-]C(=S)NC1=Cc1cc(Br)cc(Br)c1[O-]	ZINC000100488618	570272696	/nfs/dbraw/zinc/27/26/96/570272696.db2.gz	LZPGGHKJSQSUDE-UQCOIBPSSA-N	-2	3	378.045	2.262	50	0		GEAAHL
CCOc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)[O-])c3c2)cc1	ZINC000003268127	570335106	/nfs/dbraw/zinc/33/51/06/570335106.db2.gz	HKSDYVVCYJKCRE-UHFFFAOYSA-N	-2	3	388.401	2.426	50	0		GEAAHL
Cc1cc([N-]C(=O)c2cc(S(=O)(=O)[N-]c3cc(C)on3)ccc2F)no1	ZINC000015109609	570881580	/nfs/dbraw/zinc/88/15/80/570881580.db2.gz	GCSJNYPQPYILCB-UHFFFAOYSA-N	-2	3	380.357	2.472	50	0		GEAAHL
COc1ccc2c(c1)OC[C@]1(C(=O)[O-])CN(C(=O)c3ccc(C)cc3[O-])C[C@H]21	ZINC000095525177	571090050	/nfs/dbraw/zinc/09/00/50/571090050.db2.gz	SXZNKASSEIYDCY-IIBYNOLFSA-N	-2	3	383.400	2.412	50	0		GEAAHL
CS(=O)(=O)[N-]c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-]	ZINC000005602383	204143559	/nfs/dbraw/zinc/14/35/59/204143559.db2.gz	YBNIAQGCKLCPKM-UHFFFAOYSA-N	-3	3	376.843	2.218	50	0		GEAAHL
O=C([O-])c1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000013317475	204487667	/nfs/dbraw/zinc/48/76/67/204487667.db2.gz	LKLMVTLOEHYHCJ-UHFFFAOYSA-N	-2	3	380.397	2.161	50	0		GEAAHL
O=C(c1ccc([O-])c(Cl)c1)N1CCc2c(=O)[n-]c(-c3cccnc3)nc2C1	ZINC000071774572	205297461	/nfs/dbraw/zinc/29/74/61/205297461.db2.gz	BXTZWFUZJCJRAC-UHFFFAOYSA-N	-2	3	382.807	2.389	50	0		GEAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3c(Cl)cc(Cl)cc3Cl)c(=O)c1-2	ZINC000100177511	570321355	/nfs/dbraw/zinc/32/13/55/570321355.db2.gz	AVPKVNBOYKJPTA-IUCAKERBSA-N	-2	3	390.610	2.027	50	0		GEAAHL
Nc1c2cccc3c2c(cc1S(=O)(=O)[O-])C(=O)N(c1ccc([O-])cc1)C3=O	ZINC000003045318	570531416	/nfs/dbraw/zinc/53/14/16/570531416.db2.gz	XOCGCKYSXYVWNJ-UHFFFAOYSA-N	-2	3	384.369	2.175	50	0		GEAAHL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)ccc1N1CCOCC1	ZINC000032962229	570542922	/nfs/dbraw/zinc/54/29/22/570542922.db2.gz	CXSSKPCMSJMGAB-UHFFFAOYSA-N	-2	3	398.387	2.300	50	0		GEAAHL
COc1cc(OC)cc(-n2[n-][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)c1	ZINC000033114702	570813223	/nfs/dbraw/zinc/81/32/23/570813223.db2.gz	OEXHVNYYLQMIGW-HZPDHXFCSA-N	-2	3	388.330	2.480	50	0		GEAAHL
CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3c[nH]c(=O)[n-]c3=O)ccc21	ZINC000033327132	570981411	/nfs/dbraw/zinc/98/14/11/570981411.db2.gz	DPSYKUGBGKTNTL-UHFFFAOYSA-N	-2	3	384.417	2.404	50	0		GEAAHL
C[C@]1(c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2)NC(=O)[N-]C1=O	ZINC000032818913	531656059	/nfs/dbraw/zinc/65/60/59/531656059.db2.gz	ULEAZCPLKFNUMZ-MRXNPFEDSA-N	-2	3	379.825	2.195	50	0		GEAAHL
Cc1cc([N-]C(=O)c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)o2)no1	ZINC000035597507	204268904	/nfs/dbraw/zinc/26/89/04/204268904.db2.gz	OXWJDOYOCCLLTD-UHFFFAOYSA-N	-2	3	391.361	2.358	50	0		GEAAHL
Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1	ZINC000032082725	204909231	/nfs/dbraw/zinc/90/92/31/204909231.db2.gz	ZLPCZTDAQFVOLL-GFCCVEGCSA-N	-2	3	392.408	2.372	50	0		GEAAHL
O=C([O-])c1c2c(sc1S(=O)(=O)[N-]c1ccc3c(c1)CCC3)CNCC2	ZINC000067908473	205266876	/nfs/dbraw/zinc/26/68/76/205266876.db2.gz	MZKHGDHPPWODCM-UHFFFAOYSA-N	-2	3	378.475	2.382	50	0		GEAAHL
Cc1nnc(-c2ccccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])o1	ZINC000072313020	205323068	/nfs/dbraw/zinc/32/30/68/205323068.db2.gz	CCXYVABHARHSNF-UHFFFAOYSA-N	-3	3	375.362	2.250	50	0		GEAAHL
O=C(Cc1ccc([O-])c(Cl)c1)N1CCc2c(=O)[n-]c(-c3ccccn3)nc2C1	ZINC000072146207	205310545	/nfs/dbraw/zinc/31/05/45/205310545.db2.gz	KLMDGXBCWFONFE-UHFFFAOYSA-N	-2	3	396.834	2.318	50	0		GEAAHL
CCOc1cc([C@@H]2CC(C(=O)[O-])=Nc3ncnn32)cc(Br)c1[O-]	ZINC000101347814	570282770	/nfs/dbraw/zinc/28/27/70/570282770.db2.gz	QMYSBLJFZYRZNT-JTQLQIEISA-N	-2	3	381.186	2.128	50	0		GEAAHL
CCOCCc1c([O-])nc(SCC(=O)Nc2ccc(CC)cc2)[n-]c1=O	ZINC000013957225	570808185	/nfs/dbraw/zinc/80/81/85/570808185.db2.gz	NOMFYNLPQJSDRK-UHFFFAOYSA-N	-2	3	377.466	2.348	50	0		GEAAHL
Cn1cc([C@H](C(=O)[O-])N2CCN(c3ccccn3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036354329	205013512	/nfs/dbraw/zinc/01/35/12/205013512.db2.gz	KARAXLOAASVOKP-LJQANCHMSA-N	-2	3	394.431	2.219	50	0		GEAAHL
COC(=O)C[C@H](c1ccc(OC)c(OC)c1C(=O)[O-])c1oc(C)cc(=O)c1[O-]	ZINC000096114112	206117612	/nfs/dbraw/zinc/11/76/12/206117612.db2.gz	GVCZLVDMUGQLSU-LLVKDONJSA-N	-2	3	392.360	2.064	50	0		GEAAHL
CCCc1cc(=O)[n-]c(SCC(=O)CSc2nc(CCC)cc(=O)[n-]2)n1	ZINC000018169259	570807049	/nfs/dbraw/zinc/80/70/49/570807049.db2.gz	RAFHALUWXUJNGM-UHFFFAOYSA-N	-2	3	394.522	2.212	50	0		GEAAHL
COc1cc(OC)cc(-n2[n-][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)c1	ZINC000101272857	570900647	/nfs/dbraw/zinc/90/06/47/570900647.db2.gz	OEXHVNYYLQMIGW-JKSUJKDBSA-N	-2	3	388.330	2.480	50	0		GEAAHL
Cc1c([O-])ccc2c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])cc(=O)oc12	ZINC000002102702	570942740	/nfs/dbraw/zinc/94/27/40/570942740.db2.gz	YENQSFQDAPRFCL-INIZCTEOSA-N	-2	3	381.384	2.162	50	0		GEAAHL
CCOC(=O)c1cc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)n[n-]1	ZINC000096005685	531932945	/nfs/dbraw/zinc/93/29/45/531932945.db2.gz	ZRDKELRDTABEEY-UHFFFAOYSA-N	-2	3	379.316	2.286	50	0		GEAAHL
O=C([O-])[C@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1	ZINC000238077230	532516615	/nfs/dbraw/zinc/51/66/15/532516615.db2.gz	DBYDPCSAQFOMFK-VIFPVBQESA-N	-2	3	379.210	2.227	50	0		GEAAHL
Cc1ccc(S(=O)(=O)[N-]c2nn[n-]c2C(=O)Nc2ccc(F)cc2)cc1	ZINC000006173452	204170534	/nfs/dbraw/zinc/17/05/34/204170534.db2.gz	VVHOTLQINRCUCQ-UHFFFAOYSA-N	-2	3	375.385	2.305	50	0		GEAAHL
Cn1cc([C@@H](C(=O)[O-])N2CCN(c3ccccn3)CC2)c2ccc(C(=O)[O-])cc21	ZINC000036358605	205014723	/nfs/dbraw/zinc/01/47/23/205014723.db2.gz	UKIOPYZTJXOPDN-IBGZPJMESA-N	-2	3	394.431	2.219	50	0		GEAAHL
CN1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cccc(F)c2)CC1	ZINC000058009254	136154249	/nfs/dbraw/zinc/15/42/49/136154249.db2.gz	JECFCKIXKTULNF-UHFFFAOYSA-N	-2	3	393.440	2.077	50	0		GEAAHL
Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCCc1nc([O-])c(C)c(=O)[n-]1	ZINC000101825094	570835794	/nfs/dbraw/zinc/83/57/94/570835794.db2.gz	QZCOVOGYUCEEPD-UHFFFAOYSA-N	-2	3	388.424	2.069	50	0		GEAAHL
CC[C@H](C)[C@@H](NC(=O)COc1cc([O-])c2c(c1)OC(C)(C)CC2=O)C(=O)[O-]	ZINC000036569753	204321799	/nfs/dbraw/zinc/32/17/99/204321799.db2.gz	WSWXQLGNHUSJOR-DYZYQPBXSA-N	-2	3	379.409	2.130	50	0		GEAAHL
CC[C@@H](C)[C@@H](NC(=O)COc1cc([O-])c2c(c1)OC(C)(C)CC2=O)C(=O)[O-]	ZINC000036569752	204322575	/nfs/dbraw/zinc/32/25/75/204322575.db2.gz	WSWXQLGNHUSJOR-BMLIUANNSA-N	-2	3	379.409	2.130	50	0		GEAAHL
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(C)CC2)cc1	ZINC000058009223	136154197	/nfs/dbraw/zinc/15/41/97/136154197.db2.gz	SPANTTKQSVLRTA-UHFFFAOYSA-N	-2	3	389.477	2.246	50	0		GEAAHL
O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2CCCN(Cc3ccccc3)C2)c1	ZINC000237964857	534551400	/nfs/dbraw/zinc/55/14/00/534551400.db2.gz	YZBWIRZYCOYVJN-HNNXBMFYSA-N	-2	3	380.491	2.389	50	0		GEAAHL
COc1ccc(-c2cc(C(=O)[N-]n3c(=O)c4ccccc4[n-]c3=S)n[nH]2)cc1	ZINC000101606697	570827292	/nfs/dbraw/zinc/82/72/92/570827292.db2.gz	QJZFVCFWFAEEMK-UHFFFAOYSA-N	-2	3	393.428	2.468	50	0		GEAAHL
CC(C)(C)[N-]S(=O)(=O)c1cnc([N-]S(=O)(=O)c2ccccc2)s1	ZINC000864096411	653725911	/nfs/dbraw/zinc/72/59/11/653725911.db2.gz	CYETZLAUXBVTKD-UHFFFAOYSA-N	-2	3	375.497	2.021	50	0		GEAAHL
COc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc(Br)c1[O-]	ZINC000004682182	204063118	/nfs/dbraw/zinc/06/31/18/204063118.db2.gz	XVJNZOZBHOQQLA-RUDMXATFSA-N	-2	3	388.195	2.284	50	0		GEAAHL
Cc1nnc([N-]C(=O)c2ccc(S(=O)(=O)[N-]Cc3cccs3)o2)s1	ZINC000035597513	204269156	/nfs/dbraw/zinc/26/91/56/204269156.db2.gz	CSGGXDHZOOLBSB-UHFFFAOYSA-N	-2	3	384.464	2.232	50	0		GEAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2C(=O)[O-])cc1	ZINC000013317473	204487260	/nfs/dbraw/zinc/48/72/60/204487260.db2.gz	PFLIZWCEZLHYSF-UHFFFAOYSA-N	-2	3	376.434	2.331	50	0		GEAAHL
O=C([O-])c1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCOCC2)cc1	ZINC000096117627	205526255	/nfs/dbraw/zinc/52/62/55/205526255.db2.gz	BSFJRUGLIFZSIT-HNNXBMFYSA-N	-2	3	389.433	2.001	50	0		GEAAHL
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)[N-]c1ccccc1Sc1ccccc1	ZINC000013582016	570760489	/nfs/dbraw/zinc/76/04/89/570760489.db2.gz	UUXXYJMPQUFEMS-UHFFFAOYSA-N	-2	3	389.458	2.324	50	0		GEAAHL
COc1ccc(-n2c(=O)c3[n-][n-]n(-c4cc(OC)cc(OC)c4)c=3c2=O)cc1	ZINC000101186306	570816229	/nfs/dbraw/zinc/81/62/29/570816229.db2.gz	KEXLHZXCGFJCMI-IAGOWNOFSA-N	-2	3	382.376	2.210	50	0		GEAAHL
COc1cccc(-n2[n-][n-]c3c(=O)n(-c4ccc(OC)c(OC)c4)c(=O)c2=3)c1	ZINC000102819035	570865848	/nfs/dbraw/zinc/86/58/48/570865848.db2.gz	WXHUIWRRSFEATQ-SJORKVTESA-N	-2	3	382.376	2.210	50	0		GEAAHL
O=C([O-])c1cc(Br)cc([N-]S(=O)(=O)C[C@H]2CCCCO2)c1	ZINC000270113216	646086269	/nfs/dbraw/zinc/08/62/69/646086269.db2.gz	ZUAGDTPAGLBQKT-GFCCVEGCSA-N	-2	3	378.244	2.458	50	0		GEAAHL
C[C@]1(C(=O)[O-])CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1	ZINC000237655207	532508967	/nfs/dbraw/zinc/50/89/67/532508967.db2.gz	FBMJPSJEHXQRQM-INIZCTEOSA-N	-2	3	379.210	2.227	50	0		GEAAHL
C[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1	ZINC000237655500	532509292	/nfs/dbraw/zinc/50/92/92/532509292.db2.gz	FBMJPSJEHXQRQM-MRXNPFEDSA-N	-2	3	379.210	2.227	50	0		GEAAHL
NC(=O)c1cc(C2NC(=O)N=C2c2c([O-])c3ccccc3oc2=O)ccc1[O-]	ZINC000604404334	570361301	/nfs/dbraw/zinc/36/13/01/570361301.db2.gz	CISJJVVYCNSLPZ-UHFFFAOYSA-N	-2	3	379.328	2.066	50	0		GEAAHL
CC(=O)N1N=C(c2c(=O)[n-]c(=S)n(C)c2[O-])C[C@@H]1c1ccc(Cl)cc1	ZINC000101495213	570824969	/nfs/dbraw/zinc/82/49/69/570824969.db2.gz	NUBUCZAXOFUOLI-GFCCVEGCSA-N	-2	3	378.841	2.499	50	0		GEAAHL
O=C([O-])[C@H]1CCCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1	ZINC000238049304	532516858	/nfs/dbraw/zinc/51/68/58/532516858.db2.gz	ZYBSXOQHJWBROQ-CYBMUJFWSA-N	-2	3	379.210	2.370	50	0		GEAAHL
COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])c([O-])c1	ZINC000021006192	207225185	/nfs/dbraw/zinc/22/51/85/207225185.db2.gz	ZUJSKUKYCCAUTA-UHFFFAOYSA-N	-2	3	392.433	2.143	50	0		GEAAHL
O=C([O-])[C@H]1CC(=O)N(c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1	ZINC000032081239	207391685	/nfs/dbraw/zinc/39/16/85/207391685.db2.gz	SAYITSJAJUTUIK-NSHDSACASA-N	-2	3	378.381	2.064	50	0		GEAAHL
Cc1ccc(C(=O)N2CCC3(C[C@@H](C(=O)[O-])N(C(=O)C4CC4)C3)CC2)c([O-])c1	ZINC000072409557	208016001	/nfs/dbraw/zinc/01/60/01/208016001.db2.gz	PTURCAUWKUXZSP-INIZCTEOSA-N	-2	3	386.448	2.019	50	0		GEAAHL
Cc1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000089591089	136175647	/nfs/dbraw/zinc/17/56/47/136175647.db2.gz	GIKVSMNAHVJJSU-UHFFFAOYSA-N	-2	3	376.434	2.331	50	0		GEAAHL
O=C([N-]c1ccccc1F)c1nnc(C[N-]S(=O)(=O)c2ccccc2)s1	ZINC000064991752	570637851	/nfs/dbraw/zinc/63/78/51/570637851.db2.gz	UDDPCQRBPFNVSM-UHFFFAOYSA-N	-2	3	392.437	2.408	50	0		GEAAHL
COc1cccc(-n2[n-][n-]c3c(=O)n(-c4ccc(OC)c(OC)c4)c(=O)c2=3)c1	ZINC000102819033	570865889	/nfs/dbraw/zinc/86/58/89/570865889.db2.gz	WXHUIWRRSFEATQ-IRXDYDNUSA-N	-2	3	382.376	2.210	50	0		GEAAHL
CSCC[C@H](NC(=O)CCc1c(C)c2ccc([O-])c(C)c2oc1=O)C(=O)[O-]	ZINC000002099331	570941810	/nfs/dbraw/zinc/94/18/10/570941810.db2.gz	KRRPCCXDBQEDGR-AWEZNQCLSA-N	-2	3	393.461	2.371	50	0		GEAAHL
COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1NC(C)=O	ZINC000024437428	207291055	/nfs/dbraw/zinc/29/10/55/207291055.db2.gz	VVKSQDJFFDIQTI-UHFFFAOYSA-N	-2	3	378.406	2.461	50	0		GEAAHL
COC(=O)c1[n-]n(-c2ccccc2)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000100119163	208372700	/nfs/dbraw/zinc/37/27/00/208372700.db2.gz	RERBEDXZFILKEE-HOCLYGCPSA-N	-2	3	383.791	2.247	50	0		GEAAHL
Cc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCN(C)CC2)cc1C(=O)[O-]	ZINC000064461962	136156839	/nfs/dbraw/zinc/15/68/39/136156839.db2.gz	HVUYHAMOKUJNJB-UHFFFAOYSA-N	-2	3	389.477	2.246	50	0		GEAAHL
Cc1c(CC(=O)N2CCN(c3ccccc3)CC2)c(=O)oc2cc([O-])cc([O-])c12	ZINC000006660716	570524424	/nfs/dbraw/zinc/52/44/24/570524424.db2.gz	ALQAGXCRLVRPCQ-UHFFFAOYSA-N	-2	3	394.427	2.404	50	0		GEAAHL
O=c1[n-]c(N2CCN(Cc3ccccc3)CC2)nc([O-])c1Cc1ccccc1	ZINC000009108732	570549547	/nfs/dbraw/zinc/54/95/47/570549547.db2.gz	VJWDFYHLSQFQQB-UHFFFAOYSA-N	-2	3	376.460	2.389	50	0		GEAAHL
Cc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCOCC2)cc1C(=O)[O-]	ZINC000033007370	570620078	/nfs/dbraw/zinc/62/00/78/570620078.db2.gz	FSMLSKGZMFUMRZ-UHFFFAOYSA-N	-2	3	376.434	2.331	50	0		GEAAHL
CCOC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc([O-])c(CC)c(=O)[n-]2)cc1	ZINC000001122128	206355182	/nfs/dbraw/zinc/35/51/82/206355182.db2.gz	QTLDWLJYZKXARX-JTQLQIEISA-N	-2	3	391.449	2.334	50	0		GEAAHL
O=C([O-])CCC(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCSCC3)c2c1	ZINC000031818548	207387400	/nfs/dbraw/zinc/38/74/00/207387400.db2.gz	WWTVYTGYJSAYAN-KRWDZBQOSA-N	-2	3	391.449	2.146	50	0		GEAAHL
CN(CC(=O)[O-])c1ncc(CN2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)cn1	ZINC000217687253	570320241	/nfs/dbraw/zinc/32/02/41/570320241.db2.gz	SFUSJGYKDKWPAN-QGZVFWFLSA-N	-2	3	384.436	2.075	50	0		GEAAHL
COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)cc1NC(C)=O	ZINC000006328222	570389874	/nfs/dbraw/zinc/38/98/74/570389874.db2.gz	VJBZKADNKUXWEQ-UHFFFAOYSA-N	-2	3	378.406	2.461	50	0		GEAAHL
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)cc1	ZINC000006586431	570484127	/nfs/dbraw/zinc/48/41/27/570484127.db2.gz	RZWALIGRJKNUAB-UHFFFAOYSA-N	-2	3	390.461	2.341	50	0		GEAAHL
O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3cc(-n4cccc4)ccc3F)ccc21	ZINC000068216418	207922213	/nfs/dbraw/zinc/92/22/13/207922213.db2.gz	KIQMSYQYEBLWRE-UHFFFAOYSA-N	-2	3	385.376	2.301	50	0		GEAAHL
Cc1ccc(C(=O)N2CCC3(C[C@H](C(=O)[O-])N(C(=O)C4CC4)C3)CC2)c([O-])c1	ZINC000072409556	208016673	/nfs/dbraw/zinc/01/66/73/208016673.db2.gz	PTURCAUWKUXZSP-MRXNPFEDSA-N	-2	3	386.448	2.019	50	0		GEAAHL
Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)c(C(=O)[O-])c2)c1	ZINC000064580557	136157060	/nfs/dbraw/zinc/15/70/60/136157060.db2.gz	OISXRMSSUWSCSU-UHFFFAOYSA-N	-2	3	389.477	2.246	50	0		GEAAHL
Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(C(=O)[O-])c2)c1	ZINC000032962232	570543028	/nfs/dbraw/zinc/54/30/28/570543028.db2.gz	OLIJIGGXPXRRBZ-UHFFFAOYSA-N	-2	3	376.434	2.331	50	0		GEAAHL
Cn1cc([C@@H](C(=O)[O-])N2CCN(c3ccccn3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036354327	570635640	/nfs/dbraw/zinc/63/56/40/570635640.db2.gz	KARAXLOAASVOKP-IBGZPJMESA-N	-2	3	394.431	2.219	50	0		GEAAHL
CCOc1ccccc1[C@@H]1CC(c2c(=O)[n-]c(=S)n(C)c2[O-])=NN1C(C)=O	ZINC000101495214	570825074	/nfs/dbraw/zinc/82/50/74/570825074.db2.gz	VFHXPZIUNYEZCE-ZDUSSCGKSA-N	-2	3	388.449	2.245	50	0		GEAAHL
O=C(c1ccc(Cl)cc1[O-])N1CCc2c(=O)[n-]c(-c3ccccn3)nc2C1	ZINC000071759217	570849093	/nfs/dbraw/zinc/84/90/93/570849093.db2.gz	DTHMJPKSRKKVDB-UHFFFAOYSA-N	-2	3	382.807	2.389	50	0		GEAAHL
CCSCC[C@H](NC(=O)Cc1c(C)c2ccc([O-])c(C)c2oc1=O)C(=O)[O-]	ZINC000002111534	570950859	/nfs/dbraw/zinc/95/08/59/570950859.db2.gz	GYSUNRIZRDUUCF-AWEZNQCLSA-N	-2	3	393.461	2.371	50	0		GEAAHL
O=C([O-])c1ccc([N-]S(=O)(=O)c2cc3cccc4c3c(c2)C(=O)[N-]C4=O)cc1	ZINC000001049465	206345486	/nfs/dbraw/zinc/34/54/86/206345486.db2.gz	ZBAOXGUVNUTLHL-UHFFFAOYSA-N	-3	3	396.380	2.222	50	0		GEAAHL
CCc1nc(C)c(CC(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)c(=O)[n-]1	ZINC000095357461	208159880	/nfs/dbraw/zinc/15/98/80/208159880.db2.gz	FLJTVSCFYPMDAB-MRXNPFEDSA-N	-2	3	383.448	2.288	50	0		GEAAHL
CCc1nc(C)c(CC(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)c(=O)[n-]1	ZINC000095357460	208160136	/nfs/dbraw/zinc/16/01/36/208160136.db2.gz	FLJTVSCFYPMDAB-INIZCTEOSA-N	-2	3	383.448	2.288	50	0		GEAAHL
CS(=O)(=O)[N-]c1ccccc1C(=O)OCc1cc(=O)oc2cc([O-])ccc12	ZINC000006975402	570725221	/nfs/dbraw/zinc/72/52/21/570725221.db2.gz	CCGGDIGBCCNJOV-UHFFFAOYSA-N	-2	3	389.385	2.227	50	0		GEAAHL
CC(C)Cn1nc(C(=O)[O-])c2c1CCN(C(=O)c1cc(=O)c3ccccc3[n-]1)C2	ZINC000067787149	570791400	/nfs/dbraw/zinc/79/14/00/570791400.db2.gz	NINAKQGSYXFFCF-UHFFFAOYSA-N	-2	3	394.431	2.277	50	0		GEAAHL
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)[N-]C=N3)cc1Cl	ZINC000015682363	207055332	/nfs/dbraw/zinc/05/53/32/207055332.db2.gz	ADAWLYQOBFCDDI-UHFFFAOYSA-N	-2	3	385.854	2.401	50	0		GEAAHL
CCNC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1	ZINC000026548755	207316205	/nfs/dbraw/zinc/31/62/05/207316205.db2.gz	HHERLPJKJHWEQB-UHFFFAOYSA-N	-2	3	392.433	2.009	50	0		GEAAHL
O=C([O-])C[C@@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCO1	ZINC000299750882	532737675	/nfs/dbraw/zinc/73/76/75/532737675.db2.gz	OPADBGISAQNXCD-SNVBAGLBSA-N	-2	3	395.209	2.019	50	0		GEAAHL
Cc1ccc([O-])c(C(=O)N2CCC3(C[C@H](C(=O)[O-])N(C(=O)C4CC4)C3)CC2)c1	ZINC000072422711	208021186	/nfs/dbraw/zinc/02/11/86/208021186.db2.gz	XYRCIEYTMHUVGF-MRXNPFEDSA-N	-2	3	386.448	2.019	50	0		GEAAHL
CN(CC(=O)[O-])c1ncc(CN2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)cn1	ZINC000095387481	208176302	/nfs/dbraw/zinc/17/63/02/208176302.db2.gz	SFAANQSBFQBQLR-KRWDZBQOSA-N	-2	3	384.436	2.075	50	0		GEAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCNC3=O)cc2)cc1C(=O)[O-]	ZINC000054319818	570495221	/nfs/dbraw/zinc/49/52/21/570495221.db2.gz	UKZXRFPPCOHLGG-UHFFFAOYSA-N	-2	3	375.406	2.024	50	0		GEAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(C(=O)[O-])c2)cc1	ZINC000032962210	570542952	/nfs/dbraw/zinc/54/29/52/570542952.db2.gz	KFWOONSJIFAKPV-UHFFFAOYSA-N	-2	3	376.434	2.331	50	0		GEAAHL
Cc1c(C(=O)[O-])sc2[n-]c(CS(=O)(=O)c3ccc(C)cc3)nc(=O)c12	ZINC000012892895	531555798	/nfs/dbraw/zinc/55/57/98/531555798.db2.gz	LGHJEWKLTSSPFT-UHFFFAOYSA-N	-2	3	378.431	2.274	50	0		GEAAHL
O=C([O-])c1csc(S(=O)(=O)[N-]C[C@H]2CCN(c3ccc(F)cc3)C2)c1	ZINC000237964082	532513608	/nfs/dbraw/zinc/51/36/08/532513608.db2.gz	XFUJCDSSRBHOSK-LLVKDONJSA-N	-2	3	384.454	2.390	50	0		GEAAHL
Cc1cnn(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1	ZINC000036615092	570750831	/nfs/dbraw/zinc/75/08/31/570750831.db2.gz	ZUDRYGBNPSIYOB-UHFFFAOYSA-N	-2	3	378.237	2.175	50	0		GEAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3c(Cl)cc(Cl)cc3Cl)c(=O)c1-2	ZINC000100177509	211383794	/nfs/dbraw/zinc/38/37/94/211383794.db2.gz	AVPKVNBOYKJPTA-DTWKUNHWSA-N	-2	3	390.610	2.027	50	0		GEAAHL
CC[N-]S(=O)(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C)s1	ZINC000095945398	211283932	/nfs/dbraw/zinc/28/39/32/211283932.db2.gz	RZTBIJQETYMHTN-UHFFFAOYSA-N	-2	3	378.472	2.295	50	0		GEAAHL
CCc1nc(C)c(CC(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)c(=O)[n-]1	ZINC000095353405	211221147	/nfs/dbraw/zinc/22/11/47/211221147.db2.gz	OCIMZURNUJEMDX-INIZCTEOSA-N	-2	3	383.448	2.288	50	0		GEAAHL
COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1NC(C)=O	ZINC000024433187	570383369	/nfs/dbraw/zinc/38/33/69/570383369.db2.gz	WNXGUXPHVZJRAT-UHFFFAOYSA-N	-2	3	382.369	2.292	50	0		GEAAHL
Cc1[n-][nH]c(=O)c1C(c1cn(CCC(N)=O)c2ccccc12)c1c(C)[n-][nH]c1=O	ZINC000009096121	570549079	/nfs/dbraw/zinc/54/90/79/570549079.db2.gz	QHUCZTXGWFDMDT-UHFFFAOYSA-N	-2	3	394.435	2.171	50	0		GEAAHL
COc1cc(C=C2SC(=O)[N-]C2=O)cc(I)c1[O-]	ZINC000033293931	570961194	/nfs/dbraw/zinc/96/11/94/570961194.db2.gz	HKPHVGNWQVVMBC-YWEYNIOJSA-N	-2	3	377.159	2.329	50	0		GEAAHL
Cc1c([O-])ccc2c(C)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])c(=O)oc12	ZINC000002156460	570973710	/nfs/dbraw/zinc/97/37/10/570973710.db2.gz	OFMKOLPXNAFRGB-KRWDZBQOSA-N	-2	3	395.411	2.470	50	0		GEAAHL
COC(=O)c1[n-]n(-c2ccccc2)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000100119153	211381767	/nfs/dbraw/zinc/38/17/67/211381767.db2.gz	RERBEDXZFILKEE-GDBMZVCRSA-N	-2	3	383.791	2.247	50	0		GEAAHL
CCc1nc(C)c(CC(=O)N2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)c(=O)[n-]1	ZINC000095353406	211222045	/nfs/dbraw/zinc/22/20/45/211222045.db2.gz	OCIMZURNUJEMDX-MRXNPFEDSA-N	-2	3	383.448	2.288	50	0		GEAAHL
COc1ccc(-n2c(=O)c3[n-][n-]n(-c4cc(OC)cc(OC)c4)c=3c2=O)cc1	ZINC000033114646	570812841	/nfs/dbraw/zinc/81/28/41/570812841.db2.gz	KEXLHZXCGFJCMI-DLBZAZTESA-N	-2	3	382.376	2.210	50	0		GEAAHL
COc1cccc(-n2[n-][n-]c3c(=O)n(-c4ccc(OC)c(OC)c4)c(=O)c2=3)c1	ZINC000102819031	570865302	/nfs/dbraw/zinc/86/53/02/570865302.db2.gz	WXHUIWRRSFEATQ-DLBZAZTESA-N	-2	3	382.376	2.210	50	0		GEAAHL
O=C([N-]c1snnc1Br)Nc1ccc(S(=O)(=O)[O-])cc1	ZINC000004942626	212065554	/nfs/dbraw/zinc/06/55/54/212065554.db2.gz	YFWHTSDINOWHFW-UHFFFAOYSA-N	-2	3	379.217	2.191	50	0		GEAAHL
O=C([O-])c1c2c(sc1S(=O)(=O)[N-]c1ccc3[nH]ccc3c1)CNCC2	ZINC000067434250	211009665	/nfs/dbraw/zinc/00/96/65/211009665.db2.gz	RBVCWUGFXKXLNK-UHFFFAOYSA-N	-2	3	377.447	2.374	50	0		GEAAHL
Cn1c2ccccc2c([C@H](C(=O)[O-])N2CCN(c3ccccn3)CC2)c1C(=O)[O-]	ZINC000036353229	210722333	/nfs/dbraw/zinc/72/23/33/210722333.db2.gz	IZJUELBMZFPYLY-LJQANCHMSA-N	-2	3	394.431	2.219	50	0		GEAAHL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1N1CCOCC1	ZINC000032962207	570543061	/nfs/dbraw/zinc/54/30/61/570543061.db2.gz	JJBQDSYIWQAFQX-UHFFFAOYSA-N	-2	3	380.397	2.161	50	0		GEAAHL
Cc1c([O-])nc(CCNC(=O)[C@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)[n-]c1=O	ZINC000101825106	570835851	/nfs/dbraw/zinc/83/58/51/570835851.db2.gz	ANWVEAUKBSWQJH-OLZOCXBDSA-N	-2	3	381.354	2.006	50	0		GEAAHL
O=C([O-])c1cc(Br)cc([N-]S(=O)(=O)C[C@@H]2CCCCO2)c1	ZINC000270113220	646086332	/nfs/dbraw/zinc/08/63/32/646086332.db2.gz	ZUAGDTPAGLBQKT-LBPRGKRZSA-N	-2	3	378.244	2.458	50	0		GEAAHL
CCOc1cc([C@H]2CC(C(=O)[O-])=Nc3ncnn32)cc(Br)c1[O-]	ZINC000101347817	211398633	/nfs/dbraw/zinc/39/86/33/211398633.db2.gz	QMYSBLJFZYRZNT-SNVBAGLBSA-N	-2	3	381.186	2.128	50	0		GEAAHL
COc1cc(OC)cc(-n2[n-][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)c1	ZINC000101272860	211397346	/nfs/dbraw/zinc/39/73/46/211397346.db2.gz	OEXHVNYYLQMIGW-CVEARBPZSA-N	-2	3	388.330	2.480	50	0		GEAAHL
O=C([O-])c1cc(Nc2nc3c(c(=O)[n-]2)CN(Cc2ccccc2)CC3)ccc1O	ZINC000073647925	211126138	/nfs/dbraw/zinc/12/61/38/211126138.db2.gz	VTTQHUIUZJUEHL-UHFFFAOYSA-N	-2	3	392.415	2.476	50	0		GEAAHL
Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])c([O-])c1	ZINC000021006139	210375257	/nfs/dbraw/zinc/37/52/57/210375257.db2.gz	CHRIVUPZVOYXBQ-UHFFFAOYSA-N	-2	3	376.434	2.443	50	0		GEAAHL
CCN1CCN(c2ccc([N-]S(=O)(=O)c3ccccc3)c(C(=O)[O-])c2)CC1	ZINC000064461890	535749011	/nfs/dbraw/zinc/74/90/11/535749011.db2.gz	QZENHIYHAWCGEV-UHFFFAOYSA-N	-2	3	389.477	2.328	50	0		GEAAHL
O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1N1CCOCC1	ZINC000032962224	570542767	/nfs/dbraw/zinc/54/27/67/570542767.db2.gz	NSGLXIORHTVCOR-UHFFFAOYSA-N	-2	3	380.397	2.161	50	0		GEAAHL
Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(N2CCOCC2)c(C(=O)[O-])c1	ZINC000032962227	570543050	/nfs/dbraw/zinc/54/30/50/570543050.db2.gz	HQECLCCSGWJIDV-UHFFFAOYSA-N	-2	3	394.424	2.470	50	0		GEAAHL
O=C1[N-]C(=S)NC1=Cc1cc(Br)cc(Br)c1[O-]	ZINC000012428276	570657973	/nfs/dbraw/zinc/65/79/73/570657973.db2.gz	LZPGGHKJSQSUDE-FARCUNLSSA-N	-2	3	378.045	2.262	50	0		GEAAHL
O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)C1CCOCC1	ZINC000575053689	532716376	/nfs/dbraw/zinc/71/63/76/532716376.db2.gz	UTNYDOSJTDSNQI-NSHDSACASA-N	-2	3	381.372	2.111	50	0		GEAAHL
O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CCCN(Cc3ccccc3)C2)c1	ZINC000237964724	209213950	/nfs/dbraw/zinc/21/39/50/209213950.db2.gz	YZBWIRZYCOYVJN-OAHLLOKOSA-N	-2	3	380.491	2.389	50	0		GEAAHL
COc1ccc(-n2c(=O)c3[n-][n-]n(-c4cc(OC)cc(OC)c4)c=3c2=O)cc1	ZINC000101186298	211395931	/nfs/dbraw/zinc/39/59/31/211395931.db2.gz	KEXLHZXCGFJCMI-IRXDYDNUSA-N	-2	3	382.376	2.210	50	0		GEAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3c(Cl)cc(Cl)cc3Cl)c(=O)c1-2	ZINC000100177515	211383530	/nfs/dbraw/zinc/38/35/30/211383530.db2.gz	AVPKVNBOYKJPTA-RKDXNWHRSA-N	-2	3	390.610	2.027	50	0		GEAAHL
CN(CC(=O)[O-])c1ncc(CN2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)cn1	ZINC000095383055	211233866	/nfs/dbraw/zinc/23/38/66/211233866.db2.gz	SFUSJGYKDKWPAN-KRWDZBQOSA-N	-2	3	384.436	2.075	50	0		GEAAHL
Cc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCN(C)CC2)c(C(=O)[O-])c1	ZINC000058009116	136154269	/nfs/dbraw/zinc/15/42/69/136154269.db2.gz	POOHETFGPSQIOS-UHFFFAOYSA-N	-2	3	389.477	2.246	50	0		GEAAHL
CCN1CCN(c2ccc([N-]S(=O)(=O)c3ccccc3)cc2C(=O)[O-])CC1	ZINC000064580577	535748215	/nfs/dbraw/zinc/74/82/15/535748215.db2.gz	HLSNXLWAQHTPSE-UHFFFAOYSA-N	-2	3	389.477	2.328	50	0		GEAAHL
CCN(CCN(C)C)c1ncc([N-]S(=O)(=O)c2cccs2)cc1C(=O)[O-]	ZINC000035397471	570349027	/nfs/dbraw/zinc/34/90/27/570349027.db2.gz	FKBKGMKPFWJYLU-UHFFFAOYSA-N	-2	3	398.510	2.030	50	0		GEAAHL
Cc1c([O-])nc(CCNC(=O)[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)[n-]c1=O	ZINC000239475383	570430145	/nfs/dbraw/zinc/43/01/45/570430145.db2.gz	ANWVEAUKBSWQJH-QWHCGFSZSA-N	-2	3	381.354	2.006	50	0		GEAAHL
O=C([O-])Cn1cc([C@H](C(=O)[O-])N2CCN(c3ccccn3)CC2)c2ccccc21	ZINC000036360074	570641960	/nfs/dbraw/zinc/64/19/60/570641960.db2.gz	JUNWLOKNQPXSNY-HXUWFJFHSA-N	-2	3	394.431	2.069	50	0		GEAAHL
COc1ccc(CCc2nnc([N-]C(=O)c3nccnc3C(=O)[O-])s2)cc1	ZINC000072402134	570738892	/nfs/dbraw/zinc/73/88/92/570738892.db2.gz	YWYURRVKVKQNTI-UHFFFAOYSA-N	-2	3	385.405	2.072	50	0		GEAAHL
CCOc1ccc([C@H]2CC(c3c(=O)[n-]c(=S)n(C)c3[O-])=NN2C(C)=O)cc1	ZINC000101495002	570825050	/nfs/dbraw/zinc/82/50/50/570825050.db2.gz	CMPMRVKPIGWZQG-CQSZACIVSA-N	-2	3	388.449	2.245	50	0		GEAAHL
CC(C)(C)[N-]S(=O)(=O)c1cnc([N-]S(=O)(=O)c2cccc(F)c2)s1	ZINC000864096378	653725971	/nfs/dbraw/zinc/72/59/71/653725971.db2.gz	AKPKKQYZPZKGOP-UHFFFAOYSA-N	-2	3	393.487	2.160	50	0		GEAAHL
C[C@@H](NC(=O)CSc1nc([O-])c(-c2ccccc2)c(=O)[n-]1)c1ccccc1	ZINC000000714801	209262241	/nfs/dbraw/zinc/26/22/41/209262241.db2.gz	YLGPEAGSSSTAPN-CYBMUJFWSA-N	-2	3	381.457	2.393	50	0		GEAAHL
COc1cccc(-c2nn(-c3ccc([N-]S(C)(=O)=O)nc3)cc2C(=O)[O-])c1	ZINC000067804447	211022487	/nfs/dbraw/zinc/02/24/87/211022487.db2.gz	JEEHHTFODFUCRD-UHFFFAOYSA-N	-2	3	388.405	2.013	50	0		GEAAHL
CN1CCN(c2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2C(=O)[O-])CC1	ZINC000064580550	136157129	/nfs/dbraw/zinc/15/71/29/136157129.db2.gz	PJGOYHLGQHEKCZ-UHFFFAOYSA-N	-2	3	393.440	2.077	50	0		GEAAHL
CN(CC(=O)[O-])c1ncc(CN2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)cn1	ZINC000217827226	570322053	/nfs/dbraw/zinc/32/20/53/570322053.db2.gz	SFAANQSBFQBQLR-QGZVFWFLSA-N	-2	3	384.436	2.075	50	0		GEAAHL
O=C(NCCNC(=O)c1cc(Br)ccc1[O-])c1ccc([O-])cc1	ZINC000053741546	570340833	/nfs/dbraw/zinc/34/08/33/570340833.db2.gz	JTLLDPAEVQYWNK-UHFFFAOYSA-N	-2	3	379.210	2.020	50	0		GEAAHL
COc1cccc(-n2[n-][n-]c3c(=O)n(-c4ccc(OC)c(OC)c4)c(=O)c2=3)c1	ZINC000033114677	570812767	/nfs/dbraw/zinc/81/27/67/570812767.db2.gz	WXHUIWRRSFEATQ-IAGOWNOFSA-N	-2	3	382.376	2.210	50	0		GEAAHL
Cn1c([O-])c(C2=NN[C@H](c3ccc(Br)cc3)C2)c(=O)[n-]c1=S	ZINC000101495132	570825035	/nfs/dbraw/zinc/82/50/35/570825035.db2.gz	NKCWAWAJSYVPTJ-VIFPVBQESA-N	-2	3	381.255	2.350	50	0		GEAAHL
O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)C1CCOCC1	ZINC000575053688	532716908	/nfs/dbraw/zinc/71/69/08/532716908.db2.gz	UTNYDOSJTDSNQI-LLVKDONJSA-N	-2	3	381.372	2.111	50	0		GEAAHL
CC(C)(C)c1nc(N)nc(=N[N-]S(=O)(=O)c2ccccc2C(F)(F)F)[n-]1	ZINC000001042832	209292858	/nfs/dbraw/zinc/29/28/58/209292858.db2.gz	DJTAAAWCVVBRMJ-UHFFFAOYSA-N	-2	3	390.391	2.076	50	0		GEAAHL
COc1cc(C=C2SC(=O)[N-]C2=O)cc(I)c1[O-]	ZINC000001012980	209289374	/nfs/dbraw/zinc/28/93/74/209289374.db2.gz	HKPHVGNWQVVMBC-XBXARRHUSA-N	-2	3	377.159	2.329	50	0		GEAAHL
COc1cc(OC)cc(-n2[n-][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)c1	ZINC000101272859	211397277	/nfs/dbraw/zinc/39/72/77/211397277.db2.gz	OEXHVNYYLQMIGW-HOTGVXAUSA-N	-2	3	388.330	2.480	50	0		GEAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)c(C(=O)[O-])c2)cc1	ZINC000064580538	136157108	/nfs/dbraw/zinc/15/71/08/136157108.db2.gz	JHSILVUQAPRVNA-UHFFFAOYSA-N	-2	3	389.477	2.246	50	0		GEAAHL
O=C(Nc1ncccc1[O-])c1c([O-])c2c(n(Cc3ccco3)c1=O)CCCC2	ZINC000005448487	570597045	/nfs/dbraw/zinc/59/70/45/570597045.db2.gz	CUYJCTYDDMIELQ-UHFFFAOYSA-N	-2	3	381.388	2.427	50	0		GEAAHL
O=C([O-])Cn1cc([C@@H](C(=O)[O-])N2CCN(c3ccccn3)CC2)c2ccccc21	ZINC000036360073	570641711	/nfs/dbraw/zinc/64/17/11/570641711.db2.gz	JUNWLOKNQPXSNY-FQEVSTJZSA-N	-2	3	394.431	2.069	50	0		GEAAHL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(S(C)(=O)=O)ccc1F	ZINC000023075504	531593427	/nfs/dbraw/zinc/59/34/27/531593427.db2.gz	CQARECUJCCGYBP-UHFFFAOYSA-N	-2	3	387.410	2.037	50	0		GEAAHL
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCC(=O)[O-])cc2)cc1	ZINC000000674289	209257961	/nfs/dbraw/zinc/25/79/61/209257961.db2.gz	DAXQQSKDQBLRAM-UHFFFAOYSA-N	-2	3	378.406	2.299	50	0		GEAAHL
Cc1ccccc1[C@@H]1CN(C(=O)c2ccccc2-c2nnn[n-]2)C[C@H]1C(=O)[O-]	ZINC000092098546	211217372	/nfs/dbraw/zinc/21/73/72/211217372.db2.gz	JZHVYFNSWMJWBG-DLBZAZTESA-N	-2	3	377.404	2.116	50	0		GEAAHL
Cc1ccccc1[C@@H]1CN(C(=O)c2ccccc2-c2nn[n-]n2)C[C@H]1C(=O)[O-]	ZINC000092098546	211217374	/nfs/dbraw/zinc/21/73/74/211217374.db2.gz	JZHVYFNSWMJWBG-DLBZAZTESA-N	-2	3	377.404	2.116	50	0		GEAAHL
Cc1ccc([O-])c(C(=O)N2CCC3(C[C@@H](C(=O)[O-])N(C(=O)C4CC4)C3)CC2)c1	ZINC000072422712	211116250	/nfs/dbraw/zinc/11/62/50/211116250.db2.gz	XYRCIEYTMHUVGF-INIZCTEOSA-N	-2	3	386.448	2.019	50	0		GEAAHL
Cn1c2ccccc2c([C@@H](C(=O)[O-])N2CCN(c3ccccn3)CC2)c1C(=O)[O-]	ZINC000036353228	570634655	/nfs/dbraw/zinc/63/46/55/570634655.db2.gz	IZJUELBMZFPYLY-IBGZPJMESA-N	-2	3	394.431	2.219	50	0		GEAAHL
CC(C)(C)[N-]S(=O)(=O)c1cnc([N-]S(=O)(=O)c2ccccc2F)s1	ZINC000685940888	570674846	/nfs/dbraw/zinc/67/48/46/570674846.db2.gz	YYEZSGXNUUOWEV-UHFFFAOYSA-N	-2	3	393.487	2.160	50	0		GEAAHL
CCOc1ccccc1[C@H]1CC(c2c(=O)[n-]c(=S)n(C)c2[O-])=NN1C(C)=O	ZINC000101495215	570825154	/nfs/dbraw/zinc/82/51/54/570825154.db2.gz	VFHXPZIUNYEZCE-CYBMUJFWSA-N	-2	3	388.449	2.245	50	0		GEAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3c(Cl)cc(Cl)cc3Cl)c(=O)c1-2	ZINC000004698569	570842865	/nfs/dbraw/zinc/84/28/65/570842865.db2.gz	AVPKVNBOYKJPTA-BDAKNGLRSA-N	-2	3	390.610	2.027	50	0		GEAAHL
Cc1c([O-])ccc2c(C)c(CC(=O)N[C@H](C(=O)[O-])c3ccc(O)cc3)c(=O)oc12	ZINC000002111839	570950794	/nfs/dbraw/zinc/95/07/94/570950794.db2.gz	VLXWZXDKVGZGIS-SFHVURJKSA-N	-2	3	397.383	2.306	50	0		GEAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2C(=O)[O-])cc1	ZINC000013317468	221265279	/nfs/dbraw/zinc/26/52/79/221265279.db2.gz	AYAAHWPHNBDMSN-UHFFFAOYSA-N	-2	3	392.433	2.031	50	0		GEAAHL
Cc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1N1CCN(C)CC1	ZINC000058009259	136154209	/nfs/dbraw/zinc/15/42/09/136154209.db2.gz	NASZRUIYVZSJMS-UHFFFAOYSA-N	-2	3	389.477	2.246	50	0		GEAAHL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc2c1OCCO2	ZINC000057115799	222028845	/nfs/dbraw/zinc/02/88/45/222028845.db2.gz	DXLRDANBDFTRGT-UHFFFAOYSA-N	-2	3	389.307	2.374	50	0		GEAAHL
COC(=O)c1[n-]n(-c2ccccc2)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000004451769	570783772	/nfs/dbraw/zinc/78/37/72/570783772.db2.gz	RERBEDXZFILKEE-ZBFHGGJFSA-N	-2	3	383.791	2.247	50	0		GEAAHL
Cn1c([O-])c(C2=NN[C@@H](c3ccc(Br)cc3)C2)c(=O)[n-]c1=S	ZINC000101495135	570825069	/nfs/dbraw/zinc/82/50/69/570825069.db2.gz	NKCWAWAJSYVPTJ-SECBINFHSA-N	-2	3	381.255	2.350	50	0		GEAAHL
COc1ccc([N-]S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)c(C(=O)[O-])c1	ZINC000095445376	600254575	/nfs/dbraw/zinc/25/45/75/600254575.db2.gz	OYIRIRXQIGYOFI-UHFFFAOYSA-N	-2	3	382.369	2.292	50	0		GEAAHL
O=C(CSc1nc([O-])c(-c2ccccc2)c(=O)[n-]1)Nc1ccc(Cl)cn1	ZINC000001062529	212211851	/nfs/dbraw/zinc/21/18/51/212211851.db2.gz	LBJVHHPIZFKHRT-UHFFFAOYSA-N	-2	3	388.836	2.203	50	0		GEAAHL
COc1ccc([O-])c(C(=O)N2CCc3c(nc(-c4ccccc4)[n-]c3=O)C2)c1	ZINC000071747592	222189758	/nfs/dbraw/zinc/18/97/58/222189758.db2.gz	AFDQVODCEZEDDP-UHFFFAOYSA-N	-2	3	377.400	2.350	50	0		GEAAHL
Cc1cc(C(=O)N2CCC3(C[C@@H](C(=O)[O-])N(C(=O)C4CC4)C3)CC2)ccc1[O-]	ZINC000072426015	222259301	/nfs/dbraw/zinc/25/93/01/222259301.db2.gz	LKOXNTHHAWJOKW-INIZCTEOSA-N	-2	3	386.448	2.019	50	0		GEAAHL
COC(=O)C[C@@H](c1ccc(OC)c(OC)c1C(=O)[O-])c1oc(C)cc(=O)c1[O-]	ZINC000096114111	222382099	/nfs/dbraw/zinc/38/20/99/222382099.db2.gz	GVCZLVDMUGQLSU-NSHDSACASA-N	-2	3	392.360	2.064	50	0		GEAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(C(=O)[O-])c2)cc1	ZINC000035209361	570263618	/nfs/dbraw/zinc/26/36/18/570263618.db2.gz	ULRGTTVTQNYTEG-UHFFFAOYSA-N	-2	3	392.433	2.031	50	0		GEAAHL
CCOc1ccc([C@@H]2CC(c3c(=O)[n-]c(=S)n(C)c3[O-])=NN2C(C)=O)cc1	ZINC000101495000	570825043	/nfs/dbraw/zinc/82/50/43/570825043.db2.gz	CMPMRVKPIGWZQG-AWEZNQCLSA-N	-2	3	388.449	2.245	50	0		GEAAHL
O=C([O-])[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)CN(C(=O)c2ccccc2[O-])C1	ZINC000072148847	570872785	/nfs/dbraw/zinc/87/27/85/570872785.db2.gz	WXHFSBJGWFCAIF-OLZOCXBDSA-N	-2	3	386.379	2.333	50	0		GEAAHL
COc1cc(/C=C2/NC(=O)[N-]C2=O)c(Br)c(Br)c1[O-]	ZINC000001097477	212216189	/nfs/dbraw/zinc/21/61/89/212216189.db2.gz	OBAVZZVMCPNRQS-GORDUTHDSA-N	-2	3	392.003	2.106	50	0		GEAAHL
CN1CCN(c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C(=O)[O-])CC1	ZINC000064491165	136156905	/nfs/dbraw/zinc/15/69/05/136156905.db2.gz	YJDIQWVTDVMPKD-UHFFFAOYSA-N	-2	3	393.440	2.077	50	0		GEAAHL
C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)N1CCc2ccccc2C1	ZINC000237437211	570358253	/nfs/dbraw/zinc/35/82/53/570358253.db2.gz	LNUWGYYCNYDIHS-LBPRGKRZSA-N	-2	3	380.491	2.171	50	0		GEAAHL
O=C(CSc1nc([O-])c(-c2ccccc2)c(=O)[n-]1)N1CCCc2ccccc21	ZINC000001023022	570747337	/nfs/dbraw/zinc/74/73/37/570747337.db2.gz	CAEFBHRMLGNZGQ-UHFFFAOYSA-N	-2	3	393.468	2.495	50	0		GEAAHL
COC(=O)c1[n-]n(-c2ccccc2)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000004451766	570783714	/nfs/dbraw/zinc/78/37/14/570783714.db2.gz	RERBEDXZFILKEE-GOEBONIOSA-N	-2	3	383.791	2.247	50	0		GEAAHL
CC(=O)N1N=C(c2c(=O)[n-]c(=S)n(C)c2[O-])C[C@H]1c1ccc(Cl)cc1	ZINC000101495211	570824997	/nfs/dbraw/zinc/82/49/97/570824997.db2.gz	NUBUCZAXOFUOLI-LBPRGKRZSA-N	-2	3	378.841	2.499	50	0		GEAAHL
Cc1c([O-])nc(CCNC(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)[n-]c1=O	ZINC000101825098	570835801	/nfs/dbraw/zinc/83/58/01/570835801.db2.gz	ANWVEAUKBSWQJH-CHWSQXEVSA-N	-2	3	381.354	2.006	50	0		GEAAHL
COc1cccc([C@@H]2CN(Cc3ccc(C(=O)[O-])o3)C[C@H]2C(=O)[O-])c1OC	ZINC000091616988	571018287	/nfs/dbraw/zinc/01/82/87/571018287.db2.gz	FWTMBNYIBSQLJI-UONOGXRCSA-N	-2	3	375.377	2.295	50	0		GEAAHL
CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)n[n-]1	ZINC000008611632	642353798	/nfs/dbraw/zinc/35/37/98/642353798.db2.gz	SJGPEFDWCGXCFO-UHFFFAOYSA-N	-2	3	379.316	2.286	50	0		GEAAHL
COc1ccc(-n2c(=O)c3[n-][n-]n(-c4cc(OC)cc(OC)c4)c=3c2=O)cc1	ZINC000101186300	222468711	/nfs/dbraw/zinc/46/87/11/222468711.db2.gz	KEXLHZXCGFJCMI-SJORKVTESA-N	-2	3	382.376	2.210	50	0		GEAAHL
CCc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)NC)c(=O)c3c2)cc1	ZINC000004884830	570354748	/nfs/dbraw/zinc/35/47/48/570354748.db2.gz	PIMUUSRZRWSDDK-UHFFFAOYSA-N	-2	3	385.445	2.251	50	0		GEAAHL
CCc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)NC)c([O-])c3c2)cc1	ZINC000004884830	570354752	/nfs/dbraw/zinc/35/47/52/570354752.db2.gz	PIMUUSRZRWSDDK-UHFFFAOYSA-N	-2	3	385.445	2.251	50	0		GEAAHL
C[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)N1CCc2ccccc2C1	ZINC000237602171	570383405	/nfs/dbraw/zinc/38/34/05/570383405.db2.gz	LNUWGYYCNYDIHS-GFCCVEGCSA-N	-2	3	380.491	2.171	50	0		GEAAHL
COc1ccc(CNC(=O)Cc2c(C)c3c([O-])cc([O-])cc3oc2=O)c(OC)c1	ZINC000006623910	570508049	/nfs/dbraw/zinc/50/80/49/570508049.db2.gz	AZWORBCDRRRTFD-UHFFFAOYSA-N	-2	3	399.399	2.389	50	0		GEAAHL
Cc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCOCC2)c(C(=O)[O-])c1	ZINC000032962225	570542871	/nfs/dbraw/zinc/54/28/71/570542871.db2.gz	XWFGDZRFQWCLSM-UHFFFAOYSA-N	-2	3	376.434	2.331	50	0		GEAAHL
COc1ccc2c(c1)c([C@@H](C(=O)[O-])N1CCSCC1)cn2CCC(=O)[O-]	ZINC000036367318	570645976	/nfs/dbraw/zinc/64/59/76/570645976.db2.gz	CACQQUCGFNWCQF-KRWDZBQOSA-N	-2	3	378.450	2.299	50	0		GEAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(C(=O)[O-])c2)cc1OC	ZINC000033253667	570861869	/nfs/dbraw/zinc/86/18/69/570861869.db2.gz	SQLDUXCVPURNND-UHFFFAOYSA-N	-2	3	380.422	2.269	50	0		GEAAHL
CC1(C)CC(=O)c2c([O-])cc(OCC(=O)NCCCCCC(=O)[O-])cc2O1	ZINC000012296891	221175651	/nfs/dbraw/zinc/17/56/51/221175651.db2.gz	VUMIGRYNKHRWTG-UHFFFAOYSA-N	-2	3	379.409	2.276	50	0		GEAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cc1NC(C)=O	ZINC000014097341	221298444	/nfs/dbraw/zinc/29/84/44/221298444.db2.gz	VEDPAPJKRPLTJT-UHFFFAOYSA-N	-2	3	378.406	2.461	50	0		GEAAHL
Cn1cc([C@H](C(=O)[O-])N2CCN(c3ccccn3)CC2)c2ccc(C(=O)[O-])cc21	ZINC000036358606	570640259	/nfs/dbraw/zinc/64/02/59/570640259.db2.gz	UKIOPYZTJXOPDN-LJQANCHMSA-N	-2	3	394.431	2.219	50	0		GEAAHL
COc1ccc2c(c1)c([C@H](C(=O)[O-])N1CCSCC1)cn2CCC(=O)[O-]	ZINC000036367319	570645964	/nfs/dbraw/zinc/64/59/64/570645964.db2.gz	CACQQUCGFNWCQF-QGZVFWFLSA-N	-2	3	378.450	2.299	50	0		GEAAHL
Cc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(-c3nccn3CC(=O)[O-])c2)c1	ZINC000089624150	570907835	/nfs/dbraw/zinc/90/78/35/570907835.db2.gz	BGOOTHPGNIZJRL-UHFFFAOYSA-N	-3	3	387.417	2.450	50	0		GEAAHL
C[C@H](NC(=O)CSc1nc([O-])c(-c2ccccc2)c(=O)[n-]1)c1ccccc1	ZINC000000714800	212176983	/nfs/dbraw/zinc/17/69/83/212176983.db2.gz	YLGPEAGSSSTAPN-ZDUSSCGKSA-N	-2	3	381.457	2.393	50	0		GEAAHL
O=C([O-])c1csc(S(=O)(=O)[N-]C2CCN(Cc3ccccc3)CC2)c1	ZINC000013300047	212116260	/nfs/dbraw/zinc/11/62/60/212116260.db2.gz	GTFMYRILZXBTPC-UHFFFAOYSA-N	-2	3	380.491	2.389	50	0		GEAAHL
CCOC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc([O-])c(CC)c(=O)[n-]2)cc1	ZINC000016361978	221360544	/nfs/dbraw/zinc/36/05/44/221360544.db2.gz	QTLDWLJYZKXARX-SNVBAGLBSA-N	-2	3	391.449	2.334	50	0		GEAAHL
COc1cccc(-c2cc(C(=O)[N-]n3c(=O)c4ccccc4[n-]c3=S)n[nH]2)c1	ZINC000017080353	221378988	/nfs/dbraw/zinc/37/89/88/221378988.db2.gz	IWJUUSVBVAITJT-UHFFFAOYSA-N	-2	3	393.428	2.468	50	0		GEAAHL
O=C([O-])c1nn(CCC(F)(F)F)c2c1CN(C(=O)c1ccccc1[O-])CC2	ZINC000067789902	222159031	/nfs/dbraw/zinc/15/90/31/222159031.db2.gz	NTGAQBDSWYGFMK-UHFFFAOYSA-N	-2	3	383.326	2.438	50	0		GEAAHL
Cc1cc(C(=O)N2CCC3(C[C@H](C(=O)[O-])N(C(=O)C4CC4)C3)CC2)ccc1[O-]	ZINC000072426014	222258995	/nfs/dbraw/zinc/25/89/95/222258995.db2.gz	LKOXNTHHAWJOKW-MRXNPFEDSA-N	-2	3	386.448	2.019	50	0		GEAAHL
O=C([O-])c1cccc([N-]S(=O)(=O)c2cc3cccc4c3c(c2)C(=O)[N-]C4=O)c1	ZINC000004913544	570363489	/nfs/dbraw/zinc/36/34/89/570363489.db2.gz	XHMXIHNXATYPPD-UHFFFAOYSA-N	-3	3	396.380	2.222	50	0		GEAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cc1NC(C)=O	ZINC000032754968	570797817	/nfs/dbraw/zinc/79/78/17/570797817.db2.gz	JKRIYBTVHLKZMJ-UHFFFAOYSA-N	-2	3	382.369	2.292	50	0		GEAAHL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)c1C	ZINC000032833523	570845488	/nfs/dbraw/zinc/84/54/88/570845488.db2.gz	PBBBMNFUIZMVPA-UHFFFAOYSA-N	-3	3	398.462	2.174	50	0		GEAAHL
C[C@@]1(c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2)NC(=O)[N-]C1=O	ZINC000032818912	531656825	/nfs/dbraw/zinc/65/68/25/531656825.db2.gz	ULEAZCPLKFNUMZ-INIZCTEOSA-N	-2	3	379.825	2.195	50	0		GEAAHL
CCN1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccccc2)CC1	ZINC000058009358	136154217	/nfs/dbraw/zinc/15/42/17/136154217.db2.gz	HTIFIVPNXLOFBZ-UHFFFAOYSA-N	-2	3	389.477	2.328	50	0		GEAAHL
Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2nc[nH]n2)cc1F	ZINC000241776819	570687413	/nfs/dbraw/zinc/68/74/13/570687413.db2.gz	RSYXCFNIQPRLHU-UHFFFAOYSA-N	-2	3	392.368	2.124	50	0		GEAAHL
CCc1c([O-])nc(SCC(=O)Nc2nc3ccc(C)cc3s2)[n-]c1=O	ZINC000006727302	531532491	/nfs/dbraw/zinc/53/24/91/531532491.db2.gz	VWVXQCGNPLNMGL-UHFFFAOYSA-N	-2	3	376.463	2.315	50	0		GEAAHL
O=C([O-])C[C@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCO1	ZINC000299750881	532736722	/nfs/dbraw/zinc/73/67/22/532736722.db2.gz	OPADBGISAQNXCD-JTQLQIEISA-N	-2	3	395.209	2.019	50	0		GEAAHL
O=C([O-])c1csc(S(=O)(=O)[N-]C[C@@H]2CCN(c3ccc(F)cc3)C2)c1	ZINC000237963896	534551593	/nfs/dbraw/zinc/55/15/93/534551593.db2.gz	XFUJCDSSRBHOSK-NSHDSACASA-N	-2	3	384.454	2.390	50	0		GEAAHL
CCOC(=O)COc1ccc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)cc1	ZINC000004148831	570359734	/nfs/dbraw/zinc/35/97/34/570359734.db2.gz	SATLKUGMSLERRJ-UHFFFAOYSA-N	-2	3	386.408	2.283	50	0		GEAAHL
Cc1c([O-])nc(CCNC(=O)[C@H]2C[C@H]2c2cccc(C(F)(F)F)c2)[n-]c1=O	ZINC000239475384	570430115	/nfs/dbraw/zinc/43/01/15/570430115.db2.gz	ANWVEAUKBSWQJH-STQMWFEESA-N	-2	3	381.354	2.006	50	0		GEAAHL