smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([C@H]2[C@H](C(=O)[O-])c3ccccc3C(=O)N2C)cc1Br	ZINC000004035178	204023898	/nfs/dbraw/zinc/02/38/98/204023898.db2.gz	BMPCFTVFJUUIBJ-CVEARBPZSA-N	-1	0	390.233	3.453	3	0		GGAFRM
Cc1ccc(N2CCN(C(=O)Cc3c4ccccc4[nH]c3C(=O)[O-])C[C@H]2C)cc1	ZINC000004766940	204074676	/nfs/dbraw/zinc/07/46/76/204074676.db2.gz	QOYHUOJNFDBZAT-MRXNPFEDSA-N	-1	0	391.471	3.454	1	0		GGAFRM
COc1ccc(C2=Nc3c(=O)[n-]c(OC)nc3N[C@@H](c3ccccc3)C2)cc1	ZINC000005542971	204138720	/nfs/dbraw/zinc/13/87/20/204138720.db2.gz	DVNAEUBGCBDOSE-QGZVFWFLSA-N	-1	0	376.416	3.465	1	0		GGAFRM
COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)C[C@H](C)S2	ZINC000006779559	204204749	/nfs/dbraw/zinc/20/47/49/204204749.db2.gz	NJINWLQZLJIUJL-LBPRGKRZSA-N	-1	0	392.502	3.343	3	0		GGAFRM
Cc1ccc(NC(=O)c2sc3[nH]c(=O)c(C(=O)[O-])cc3c2N)cc1Cl	ZINC000006727955	204195967	/nfs/dbraw/zinc/19/59/67/204195967.db2.gz	FULDIYJVKZLGMX-UHFFFAOYSA-N	-1	0	377.809	3.084	1	0		GGAFRM
CCOC(=O)C1=C(C)N(CCCC(=O)[O-])C(=O)N[C@@H]1c1ccc(Cl)cc1	ZINC000007551087	204242563	/nfs/dbraw/zinc/24/25/63/204242563.db2.gz	UIGTWCXRJSOGMP-MRXNPFEDSA-N	-1	0	380.828	3.108	3	0		GGAFRM
COc1cc2c(cc1OC)[C@H](C(=O)[O-])[C@@H](c1cn(C)c3ccccc13)N(C)C2=O	ZINC000008659920	204283889	/nfs/dbraw/zinc/28/38/89/204283889.db2.gz	GNMFGIQXFQNRBA-VQTJNVASSA-N	-1	0	394.427	3.191	1	0		GGAFRM
O=C([O-])Cc1nn(Cc2nc3cc4ccccc4cc3o2)c(=O)c2ccccc12	ZINC000013448978	204489947	/nfs/dbraw/zinc/48/99/47/204489947.db2.gz	JWBNYTVJZWMWBO-UHFFFAOYSA-N	-1	0	385.379	3.366	1	0		GGAFRM
O=C([O-])Cc1nn(Cc2nc(-c3ccccc3)cs2)c(=O)c2ccccc12	ZINC000013449076	204490011	/nfs/dbraw/zinc/49/00/11/204490011.db2.gz	RRIWSZVDMOGZCC-UHFFFAOYSA-N	-1	0	377.425	3.195	1	0		GGAFRM
O=C([O-])CCC/C=C\C[C@H]1C(=O)CC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1	ZINC000028230687	204869725	/nfs/dbraw/zinc/86/97/25/204869725.db2.gz	FPRHLTNKUIYPQE-VPGVIOTPSA-N	-1	0	399.896	3.167	1	0		GGAFRM
CN(CC(=O)[O-])c1c(Br)cccc1Nc1ncnc2ccncc21	ZINC000029133634	204887924	/nfs/dbraw/zinc/88/79/24/204887924.db2.gz	RQHIAPDOHIVIBW-UHFFFAOYSA-N	-1	0	388.225	3.052	1	0		GGAFRM
NC(=O)c1ccc(Cc2nc3c(ccc4c3CCCC4)c(C(=O)[O-])c2O)cc1	ZINC000028603982	204876706	/nfs/dbraw/zinc/87/67/06/204876706.db2.gz	MQNSCHMWRBRPBH-UHFFFAOYSA-N	-1	0	376.412	3.207	1	0		GGAFRM
COCC[C@H](CC1(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)CCCC1)C(=O)[O-]	ZINC000028641705	204878744	/nfs/dbraw/zinc/87/87/44/204878744.db2.gz	CQBVAAQFFFJGPG-BPQIPLTHSA-N	-1	0	377.456	3.486	1	0		GGAFRM
CCCn1c2nc(C34CCC(C(=O)[O-])(CC3)CC4)nc-2c2n(c1=O)C[C@@H](CC)N2	ZINC000036273974	205009909	/nfs/dbraw/zinc/00/99/09/205009909.db2.gz	OPYSBGBVQBZGHC-ZJDGCUJOSA-N	-1	0	399.495	3.277	1	0		GGAFRM
CCOC(=O)c1[n-]c2c(cccc2Cl)c1S(=O)(=O)c1ccccc1N	ZINC000040390947	205062724	/nfs/dbraw/zinc/06/27/24/205062724.db2.gz	JJIXGIDGNWLCSI-UHFFFAOYSA-N	-1	0	378.837	3.413	1	0		GGAFRM
O=C([O-])c1ccccc1NC(=O)CCc1noc2c1CCc1cc(O)ccc1-2	ZINC000040413099	205066240	/nfs/dbraw/zinc/06/62/40/205066240.db2.gz	NOLQWSSNTZARDG-UHFFFAOYSA-N	-1	0	378.384	3.415	1	0		GGAFRM
O=c1nc(CN2CC[C@H](O)C2)[n-]c2c3cc(-c4ccc(O)cc4)ccc3sc21	ZINC000045314712	205094646	/nfs/dbraw/zinc/09/46/46/205094646.db2.gz	UPKYTOHUEMELIK-HNNXBMFYSA-N	-1	0	393.468	3.489	1	0		GGAFRM
O=C([O-])c1cn(Cc2ccc(-c3ccc(F)cc3)nn2)c2c(F)cccc2c1=O	ZINC000045338849	205095707	/nfs/dbraw/zinc/09/57/07/205095707.db2.gz	DBZJHXZVIPETSQ-UHFFFAOYSA-N	-1	0	393.349	3.483	1	0		GGAFRM
O=C([O-])c1cn(Cc2ccc(-c3cncc(F)c3)cn2)c2c(F)cccc2c1=O	ZINC000045337723	205095936	/nfs/dbraw/zinc/09/59/36/205095936.db2.gz	JDCVJROQLVBLRY-UHFFFAOYSA-N	-1	0	393.349	3.483	1	0		GGAFRM
Cc1csc2c1c(CC(=O)[O-])c(C)n2Cc1ccc(S(C)(=O)=O)cc1	ZINC000066078714	205240394	/nfs/dbraw/zinc/24/03/94/205240394.db2.gz	CKBACAVWGQAMFG-UHFFFAOYSA-N	-1	0	377.487	3.399	1	0		GGAFRM
CC(=O)N[C@@H](CSCC1=CC=C2C=Cc3cccc4c3[C@@H]2C1=CC4)C(=O)[O-]	ZINC000071332181	205282281	/nfs/dbraw/zinc/28/22/81/205282281.db2.gz	YSISPQXLVACETJ-FPOVZHCZSA-N	-1	0	379.481	3.468	1	0		GGAFRM
CN(C(=O)Cc1ccc(F)cc1)[C@@H]1CCc2c(CC(=O)[O-])c3ccccc3n2C1	ZINC000071341367	205282743	/nfs/dbraw/zinc/28/27/43/205282743.db2.gz	GQXDJHYRFLVFCI-QGZVFWFLSA-N	-1	0	394.446	3.423	1	0		GGAFRM
CC(C)c1c(=O)n([O-])c(=O)n(COCc2ccc(F)cc2)c1Cc1ccccc1	ZINC000066103410	222137806	/nfs/dbraw/zinc/13/78/06/222137806.db2.gz	IPRNYYLOHLEESV-UHFFFAOYSA-N	-1	0	398.434	3.275	1	0		GGAFRM
CC/C=C\C/C=C\C[C@@H]1[C@@H](/C=C/[C@H](O)C/C=C\CCC(=O)[O-])[C@@H](O)C[C@@H]1O	ZINC000004654953	560199392	/nfs/dbraw/zinc/19/93/92/560199392.db2.gz	HLOKCEDYFAXGRQ-OUIFLFKJSA-N	-1	0	378.509	3.375	1	0	in-vitro	GGAFRM
CC/C=C\C/C=C\C[C@H]1[C@H](O)C[C@H](O)[C@@H]1/C=C/[C@H](O)C/C=C\CCC(=O)[O-]	ZINC000004654951	560199416	/nfs/dbraw/zinc/19/94/16/560199416.db2.gz	HLOKCEDYFAXGRQ-WYULEFOLSA-N	-1	0	378.509	3.375	1	0	in-vitro	GGAFRM
CC/C=C\C/C=C\C/C=C\C[C@@H]1[C@@H](/C=C/[C@H](O)CCC(=O)[O-])[C@@H](O)C[C@@H]1O	ZINC000004654949	560199419	/nfs/dbraw/zinc/19/94/19/560199419.db2.gz	XAFFULPVQSAGOV-FHJHBWATSA-N	-1	0	378.509	3.375	1	0	in-vitro	GGAFRM
COc1ccc(-c2coc3c(C/C=C(\C)CO)c([O-])cc(O)c3c2=O)cc1O	ZINC000015251797	291128279	/nfs/dbraw/zinc/12/82/79/291128279.db2.gz	UCKSAYIMWMIZQJ-QDEBKDIKSA-N	-1	0	384.384	3.067	1	0	endogenous,in-man	GGAFRM
COc1cc2c(c(OC)c1OC)-c1ccc(C(=O)[O-])cc1[C@@H](NC(C)=O)CC2	ZINC000001598899	206386476	/nfs/dbraw/zinc/38/64/76/206386476.db2.gz	ZAIRUODZMPTJLF-INIZCTEOSA-N	-1	0	385.416	3.201	3	0		GGAFRM
CC(C)(C)C(=O)Cc1cc2c(cc1C(=O)[O-])S(=O)(=O)NC(C(C)(C)C)=C2	ZINC000001623865	206387455	/nfs/dbraw/zinc/38/74/55/206387455.db2.gz	CBLGMKJWLSLWJF-UHFFFAOYSA-N	-1	0	379.478	3.221	1	0		GGAFRM
COc1cc2c(cc1OC)[C@@H](C(=O)[O-])[C@@H](c1cn(C)c3ccccc13)N(C)C2=O	ZINC000008659918	206759196	/nfs/dbraw/zinc/75/91/96/206759196.db2.gz	GNMFGIQXFQNRBA-WOJBJXKFSA-N	-1	0	394.427	3.191	1	0		GGAFRM
O=C([O-])C1=CS[C@@H]2/C(=C\c3cn4c(n3)sc3cc(Cl)ccc34)C(=O)N12	ZINC000013586480	206982303	/nfs/dbraw/zinc/98/23/03/206982303.db2.gz	HXVDRENWBJTNFL-RXTQTKKPSA-N	-1	0	389.845	3.427	1	0		GGAFRM
CCn1c2ccccc2c2c1C([O-])=C(C(=O)Nc1ccccc1)N(C)S2(=O)=O	ZINC000013605479	206984488	/nfs/dbraw/zinc/98/44/88/206984488.db2.gz	DGCWWOQNXPRVMG-UHFFFAOYSA-N	-1	0	397.456	3.161	1	0		GGAFRM
O=C([O-])C[C@@H]1CC(CNC(=O)CCNc2ccccn2)=CCc2ccccc21	ZINC000013819489	207000725	/nfs/dbraw/zinc/00/07/25/207000725.db2.gz	QTQQUVKCPJYESZ-SFHVURJKSA-N	-1	0	379.460	3.131	1	0		GGAFRM
COc1ccc2c(C(=S)N(C)CC(=O)[O-])cc(F)cc2c1Br	ZINC000013823542	207001080	/nfs/dbraw/zinc/00/10/80/207001080.db2.gz	UXPTZLWVAZNHIA-UHFFFAOYSA-N	-1	0	386.242	3.442	1	0		GGAFRM
O=C([O-])CCCCCC[C@@H]1[C@@H](CC[C@H](O)CNc2ccccc2)[C@H](O)C[C@@H]1O	ZINC000013805705	207001301	/nfs/dbraw/zinc/00/13/01/207001301.db2.gz	LVILSLBAZNNJIT-XIYVOTBMSA-N	-1	0	393.524	3.023	1	0		GGAFRM
CCOc1ccc2c(ccc(OC)c2C(F)(F)F)c1C(=O)N(C)CC(=O)[O-]	ZINC000013823568	207001509	/nfs/dbraw/zinc/00/15/09/207001509.db2.gz	ZRFFKVSULUTYGB-UHFFFAOYSA-N	-1	0	385.338	3.423	1	0		GGAFRM
O=C([O-])[C@@H](CCCCn1cnc2c1NC=NC[C@@H]2O)Cc1ccc(Cl)cc1	ZINC000013807318	207001558	/nfs/dbraw/zinc/00/15/58/207001558.db2.gz	OMOZKOPPDRRUQY-HOCLYGCPSA-N	-1	0	390.871	3.138	1	0		GGAFRM
O=C([O-])c1cc(CCn2cnc3c2NC=NC[C@H]3O)cc(-c2ccc(F)cc2)c1	ZINC000013807598	207001786	/nfs/dbraw/zinc/00/17/86/207001786.db2.gz	AUOLPWSGNVUJJG-GOSISDBHSA-N	-1	0	394.406	3.117	1	0		GGAFRM
O=C([O-])Cc1nn(Cc2nc3ccccc3s2)c(=O)c2ccc(Cl)cc12	ZINC000013860790	207002425	/nfs/dbraw/zinc/00/24/25/207002425.db2.gz	RQVFDJCEHLLOER-UHFFFAOYSA-N	-1	0	385.832	3.335	1	0		GGAFRM
Cc1ccc2nc(Cn3nc(CC(=O)[O-])c4ccccc4c3=O)sc2c1F	ZINC000013860770	207002735	/nfs/dbraw/zinc/00/27/35/207002735.db2.gz	CIDKRXPJSJGVFO-UHFFFAOYSA-N	-1	0	383.404	3.129	1	0		GGAFRM
C[C@H](C[C@H](C)[C@@H](C=CC=CC(=O)[O-])[C@H](C)O)[C@@H](O)CC(=O)c1ccc(N)cc1	ZINC000014420098	207020286	/nfs/dbraw/zinc/02/02/86/207020286.db2.gz	KCSUEQGOSJTUAZ-QQNBRMCASA-N	-1	0	389.492	3.059	1	0		GGAFRM
C[C@@H](O)[C@@H](C=CC=CC(=O)[O-])[C@@H](C)C[C@@H](C)[C@@H](O)CC(=O)c1ccc(N)cc1	ZINC000014420093	207020393	/nfs/dbraw/zinc/02/03/93/207020393.db2.gz	KCSUEQGOSJTUAZ-FYRICBMMSA-N	-1	0	389.492	3.059	1	0		GGAFRM
O=C(c1ccc(Cl)cc1Cl)c1ccc(-n2ncc(=O)[n-]c2=O)cc1Cl	ZINC000025964006	207307336	/nfs/dbraw/zinc/30/73/36/207307336.db2.gz	STDSVETYHZLIBJ-UHFFFAOYSA-N	-1	0	396.617	3.112	1	0		GGAFRM
COc1ccc2c(c1)C[C@H](C(=O)[O-])N2C(=O)[C@H](C)CSC(=O)c1ccccc1	ZINC000027319271	207323985	/nfs/dbraw/zinc/32/39/85/207323985.db2.gz	OTMYNJIFQALLAX-FZKQIMNGSA-N	-1	0	399.468	3.247	1	0		GGAFRM
O=C([O-])CCc1nc2ncnc-2c2nc(-c3ccc(-c4ccccc4)cc3)[nH]n21	ZINC000027210471	207323457	/nfs/dbraw/zinc/32/34/57/207323457.db2.gz	WOQBHNVICZCBNX-UHFFFAOYSA-N	-1	0	384.399	3.352	1	0		GGAFRM
CC1(C)CCC(NC(=O)[C@H](CCC(=O)[O-])NC(=O)c2cccc(Cl)c2)CC1	ZINC000027209264	207323572	/nfs/dbraw/zinc/32/35/72/207323572.db2.gz	DZPZELCMOBVEOB-INIZCTEOSA-N	-1	0	394.899	3.388	1	0		GGAFRM
Cc1c2cc(C(=O)[O-])c(OC(=O)N(C)C)cc2oc(=O)c1Cc1ccccc1	ZINC000026491222	207315238	/nfs/dbraw/zinc/31/52/38/207315238.db2.gz	NUNPZICGJFWFOY-UHFFFAOYSA-N	-1	0	381.384	3.451	1	0		GGAFRM
CC[C@@]1(C)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc(C(=O)[O-])cc1	ZINC000026493602	207315284	/nfs/dbraw/zinc/31/52/84/207315284.db2.gz	DZHKGYPDWJRPGC-FPOVZHCZSA-N	-1	0	382.416	3.258	1	0		GGAFRM
CC1(n2cccc2)CN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C1	ZINC000027898823	207332441	/nfs/dbraw/zinc/33/24/41/207332441.db2.gz	FIYCXADAGFKEEE-UHFFFAOYSA-N	-1	0	399.397	3.350	1	0		GGAFRM
O=c1c2ccccc2sn1-c1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000027990328	207333806	/nfs/dbraw/zinc/33/38/06/207333806.db2.gz	OVVYRRPOAOETKD-UHFFFAOYSA-N	-1	0	383.454	3.248	1	0		GGAFRM
O=C([O-])Cc1ccc2c(c1)C[C@H](CNS(=O)(=O)c1ccc3ccccc3c1)C2	ZINC000027329303	207324903	/nfs/dbraw/zinc/32/49/03/207324903.db2.gz	AUGFRAXHMKPAMH-MRXNPFEDSA-N	-1	0	395.480	3.160	1	0		GGAFRM
Cc1cc(C)cc(NC(=O)Cc2ccc(O[C@]3(C(=O)[O-])CCO[C@H]3C)cc2)c1	ZINC000027524843	207325055	/nfs/dbraw/zinc/32/50/55/207325055.db2.gz	MIWBKCLSAKCDEU-KSFYIVLOSA-N	-1	0	383.444	3.496	1	0		GGAFRM
O=C([O-])c1ccc2c(c1)C[C@H](CCNS(=O)(=O)c1ccc(Cl)cc1)C2	ZINC000027406283	207325948	/nfs/dbraw/zinc/32/59/48/207325948.db2.gz	FMJOLGVWTLFNLG-GFCCVEGCSA-N	-1	0	379.865	3.122	1	0		GGAFRM
CC(C)CCn1c2ccccc2nc1Cn1c2ccccc2n(CC(=O)[O-])c1=O	ZINC000028569775	207345609	/nfs/dbraw/zinc/34/56/09/207345609.db2.gz	UQYQVUHMBQUDEB-UHFFFAOYSA-N	-1	0	392.459	3.332	1	0		GGAFRM
Cc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(C)C)[P@@](=O)([O-])O)cc2)cc1	ZINC000028642133	207346811	/nfs/dbraw/zinc/34/68/11/207346811.db2.gz	CJTUBZULFXKTAT-QGZVFWFLSA-N	-1	0	383.406	3.100	1	0		GGAFRM
COCC[C@H](CC1(C(=O)N[C@@H]2C[C@H]2c2ccc(OC)cc2)CCCC1)C(=O)[O-]	ZINC000028641517	207346921	/nfs/dbraw/zinc/34/69/21/207346921.db2.gz	WAFMGROHMCCENJ-NZSAHSFTSA-N	-1	0	389.492	3.355	1	0		GGAFRM
O=C([O-])Cn1c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2c2c1CCC2	ZINC000028335539	207340208	/nfs/dbraw/zinc/34/02/08/207340208.db2.gz	PCIBERRZCVARIA-UHFFFAOYSA-N	-1	0	388.420	3.155	1	0		GGAFRM
O=C([O-])CCc1cccc2c1CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C2	ZINC000028768192	207348524	/nfs/dbraw/zinc/34/85/24/207348524.db2.gz	GLGCGDNKOCLHIH-MRXNPFEDSA-N	-1	0	393.892	3.193	1	0		GGAFRM
O=c1c(NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)cccn1[O-]	ZINC000029128959	207356749	/nfs/dbraw/zinc/35/67/49/207356749.db2.gz	HULXBZPKHGNNND-UHFFFAOYSA-N	-1	0	392.820	3.332	1	0		GGAFRM
O=C([O-])CN1c2ccccc2CC[C@@H](NC(=O)c2ccc3ccccc3c2)C1=O	ZINC000029407398	207362225	/nfs/dbraw/zinc/36/22/25/207362225.db2.gz	VPNDIZVDZFZHQE-LJQANCHMSA-N	-1	0	388.423	3.002	1	0		GGAFRM
O=C([O-])CN1c2ccccc2CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O	ZINC000029407395	207362318	/nfs/dbraw/zinc/36/23/18/207362318.db2.gz	VPNDIZVDZFZHQE-IBGZPJMESA-N	-1	0	388.423	3.002	1	0		GGAFRM
COc1cc(-c2cnc(N)c(-c3ccc(C(=O)[O-])cc3C)n2)cc(OC)c1OC	ZINC000064446726	207800252	/nfs/dbraw/zinc/80/02/52/207800252.db2.gz	IZHUCFATOAHISF-UHFFFAOYSA-N	-1	0	395.415	3.425	1	0		GGAFRM
COc1ccc2c(c1)c1c(n2CC(=O)[O-])C(=S)N(Cc2ccccc2)CC1	ZINC000073200093	208034603	/nfs/dbraw/zinc/03/46/03/208034603.db2.gz	AQRNXCAVWZCQSU-UHFFFAOYSA-N	-1	0	380.469	3.468	1	0		GGAFRM
O=C([O-])c1ccc2c(c1)S(=O)(=O)N=[S@]2c1ccc(Br)cc1	ZINC000073196370	208034899	/nfs/dbraw/zinc/03/48/99/208034899.db2.gz	DWKUJVDGSWNBOP-HXUWFJFHSA-N	-1	0	386.248	3.070	1	0		GGAFRM
O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2ccccc2-c2ccccc2Cl)C1	ZINC000095555628	208232189	/nfs/dbraw/zinc/23/21/89/208232189.db2.gz	CJJBKJQFJWSFBM-CYBMUJFWSA-N	-1	0	379.865	3.492	1	0		GGAFRM
COc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)nn1-c1ccccc1F	ZINC000095556696	208233139	/nfs/dbraw/zinc/23/31/39/208233139.db2.gz	RQQTYVIPHKLYFS-INIZCTEOSA-N	-1	0	397.406	3.274	1	0		GGAFRM
CCC[C@H](Sc1nc2ccc(OCC)cc2s1)C(=O)[N-]S(C)(=O)=O	ZINC000095574826	208234409	/nfs/dbraw/zinc/23/44/09/208234409.db2.gz	WVBNWMVLFVQWGO-LBPRGKRZSA-N	-1	0	388.536	3.032	1	0		GGAFRM
CS(=O)(=O)c1ccc(/C(=C\c2ccc(Br)cc2)C(=O)[O-])cc1	ZINC000095587172	208236846	/nfs/dbraw/zinc/23/68/46/208236846.db2.gz	GETDAMFWOSYFEV-XNTDXEJSSA-N	-1	0	381.247	3.478	1	0		GGAFRM
CSc1nc(-c2ccccc2)nc(Nc2ccc(CC(=O)[O-])cc2)c1C(N)=O	ZINC000096938270	208332364	/nfs/dbraw/zinc/33/23/64/208332364.db2.gz	MOFKTHXHEPTNRS-UHFFFAOYSA-N	-1	0	394.456	3.335	1	0		GGAFRM
O=C(Nc1ccc(-n2ccnc2)cc1)C1=C([O-])[C@@H](CC2CCCCC2)CNC1=O	ZINC000100076025	208371619	/nfs/dbraw/zinc/37/16/19/208371619.db2.gz	AJDIONUYJCATIG-INIZCTEOSA-N	-1	0	394.475	3.339	1	0		GGAFRM
CCCCc1c([O-])c2cccnc2n(-c2ccc(O)c(C(=O)OCC)c2)c1=O	ZINC000101237778	208389688	/nfs/dbraw/zinc/38/96/88/208389688.db2.gz	BTMIKZYPFZICPJ-UHFFFAOYSA-N	-1	0	382.416	3.316	1	0		GGAFRM
O=C([N-]S(=O)(=O)[C@@H]1CCCCCC1=O)Nc1ccc(Cl)c(Cl)c1	ZINC000103206539	208420031	/nfs/dbraw/zinc/42/00/31/208420031.db2.gz	KXEKGCLYMGWLMI-CYBMUJFWSA-N	-1	0	379.265	3.347	1	0		GGAFRM
COc1cc(-c2nc(C(N)=O)c(C)nc2C)ccc1-c1ccc(CC(=O)[O-])cc1	ZINC000103298689	208422955	/nfs/dbraw/zinc/42/29/55/208422955.db2.gz	SDWWBFJULIZXMB-UHFFFAOYSA-N	-1	0	391.427	3.162	1	0		GGAFRM
CCn1cc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])c(=O)c2ccc(C(F)(F)F)cc21	ZINC000103185349	208416486	/nfs/dbraw/zinc/41/64/86/208416486.db2.gz	LPPAFDRETPNAJM-AWEZNQCLSA-N	-1	0	398.381	3.269	1	0		GGAFRM
CCNC(=O)c1noc(-c2cc(Cl)c([O-])cc2O)c1NC(=O)C(C)(C)C	ZINC000073222901	222269094	/nfs/dbraw/zinc/26/90/94/222269094.db2.gz	NRDHRUUAIBGJLZ-UHFFFAOYSA-N	-1	0	381.816	3.141	1	0		GGAFRM
COc1ccc(/C=C(/NC(=O)c2cccc(Br)c2)C(=O)[O-])cc1	ZINC000017143533	564297320	/nfs/dbraw/zinc/29/73/20/564297320.db2.gz	LVWLROZAQRCUFE-OQLLNIDSSA-N	-1	0	376.206	3.313	1	0		GGAFRM
CCCc1nc2sc3c(c2c(=O)n1[N-]C(=O)c1ccco1)CC(C)(C)OC3	ZINC000000971063	570740821	/nfs/dbraw/zinc/74/08/21/570740821.db2.gz	GBIJWJNEGUUTDX-UHFFFAOYSA-N	-1	0	387.461	3.239	3	0		GGAFRM
CN(CCOc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1)c1nc2ccccc2o1	ZINC000001482422	581099481	/nfs/dbraw/zinc/09/94/81/581099481.db2.gz	ZYKPNHFCNSVFNF-KRWDZBQOSA-N	-1	0	397.456	3.237	1	0	in-vivo	GGAFRM
COc1ccc(C2=NO[C@H](Cn3nc(C(=O)[O-])cc3-c3ccccc3)C2)cc1	ZINC000015934980	210179805	/nfs/dbraw/zinc/17/98/05/210179805.db2.gz	HEOQYACALDYGSP-KRWDZBQOSA-N	-1	0	377.400	3.450	3	0		GGAFRM
C[C@@H](O)[C@H](C=CC=CC(=O)[O-])[C@@H](C)C[C@@H](C)[C@@H](O)CC(=O)c1ccc(N)cc1	ZINC000014420096	210116961	/nfs/dbraw/zinc/11/69/61/210116961.db2.gz	KCSUEQGOSJTUAZ-OMMMEHDPSA-N	-1	0	389.492	3.059	1	0		GGAFRM
C[C@H](C[C@H](C)[C@H](C=CC=CC(=O)[O-])[C@H](C)O)[C@@H](O)CC(=O)c1ccc(N)cc1	ZINC000014420095	210116967	/nfs/dbraw/zinc/11/69/67/210116967.db2.gz	KCSUEQGOSJTUAZ-JZRIOZDYSA-N	-1	0	389.492	3.059	1	0		GGAFRM
C[C@@H]1CCCc2c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])n(-c3ccc(F)cc3)nc21	ZINC000013833982	210093822	/nfs/dbraw/zinc/09/38/22/210093822.db2.gz	UQXRYRQZJFRMCV-WVZJJHDFSA-N	-1	0	388.439	3.051	1	0		GGAFRM
O=C([O-])Cc1nn(Cc2nc3cccc(Cl)c3s2)c(=O)c2ccccc12	ZINC000013860759	210095147	/nfs/dbraw/zinc/09/51/47/210095147.db2.gz	BVBLIUFTALMDFD-UHFFFAOYSA-N	-1	0	385.832	3.335	1	0		GGAFRM
O=C([O-])[C@@H](CCCCn1cnc2c1NC=NC[C@@H]2O)Cc1cccc(Cl)c1	ZINC000013807309	210092678	/nfs/dbraw/zinc/09/26/78/210092678.db2.gz	ILCBREXWAFCKSC-HOCLYGCPSA-N	-1	0	390.871	3.138	1	0		GGAFRM
Cc1[nH]c(C(=O)[O-])c(/C=C/C(=O)Nc2ccccc2)c1I	ZINC000013778842	210089700	/nfs/dbraw/zinc/08/97/00/210089700.db2.gz	NLRKTMGABGPTKE-BQYQJAHWSA-N	-1	0	396.184	3.278	1	0		GGAFRM
CCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OC)OC(=O)CCCCC	ZINC000013760013	210087864	/nfs/dbraw/zinc/08/78/64/210087864.db2.gz	FPAQPGHMQIVIBS-CQSZACIVSA-N	-1	0	382.390	3.365	1	0		GGAFRM
Cc1ccc2c(c1)S(=O)(=O)N(C)C([O-])=C2C(=O)Nc1ccccc1Cl	ZINC000013605543	210072968	/nfs/dbraw/zinc/07/29/68/210072968.db2.gz	HWVIMRPVDNZEOH-UHFFFAOYSA-N	-1	0	378.837	3.148	1	0		GGAFRM
CN1C([O-])=C(C(=O)Nc2ccc(Cl)cc2)c2cc(Cl)ccc2S1(=O)=O	ZINC000013605517	210072310	/nfs/dbraw/zinc/07/23/10/210072310.db2.gz	INOBCEASFHTIOW-UHFFFAOYSA-N	-1	0	399.255	3.493	1	0		GGAFRM
O=C([O-])C[C@H]1C(=O)N(Cc2cccc(C(F)(F)F)c2)C(=O)c2ccccc21	ZINC000013601299	210071304	/nfs/dbraw/zinc/07/13/04/210071304.db2.gz	MTVDIOCXHVILPT-OAHLLOKOSA-N	-1	0	377.318	3.446	1	0		GGAFRM
COc1ccc(S(=O)(=O)N(Cc2ccc(C(C)C)cc2)[C@H](C)C(=O)[O-])cc1	ZINC000013440879	210061554	/nfs/dbraw/zinc/06/15/54/210061554.db2.gz	CBVFFOHBSFICTJ-OAHLLOKOSA-N	-1	0	391.489	3.483	1	0		GGAFRM
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCC[P@@](C)(=O)[O-]	ZINC000013470215	210063340	/nfs/dbraw/zinc/06/33/40/210063340.db2.gz	ROXZAUCDLDATPM-LFZNYWNYSA-N	-1	0	388.485	3.468	1	0		GGAFRM
CC(C)(C)CC(=O)Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000013476884	210063398	/nfs/dbraw/zinc/06/33/98/210063398.db2.gz	UXVCFMQMDYXTHZ-SFHVURJKSA-N	-1	0	382.460	3.487	1	0		GGAFRM
O=C([O-])[C@H]1C[C@H](NC(=O)Cc2ccc(O)cc2)c2c(Cl)cc(Cl)cc2N1	ZINC000013455274	210060549	/nfs/dbraw/zinc/06/05/49/210060549.db2.gz	LWUVTCGISHTDRW-LSDHHAIUSA-N	-1	0	395.242	3.368	1	0		GGAFRM
O=C([O-])Cc1nn(Cc2csc(-c3ccccc3)n2)c(=O)c2ccccc12	ZINC000013449070	210060349	/nfs/dbraw/zinc/06/03/49/210060349.db2.gz	NENGQDSFYVYQBT-UHFFFAOYSA-N	-1	0	377.425	3.195	1	0		GGAFRM
COC(=O)C1=C(C)N(CCCC(=O)[O-])C(=O)N[C@@H]1c1cccc2ccccc21	ZINC000013125872	210051710	/nfs/dbraw/zinc/05/17/10/210051710.db2.gz	FLWCJMBINCLEJX-LJQANCHMSA-N	-1	0	382.416	3.218	3	0		GGAFRM
COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)C[C@@H](C)S2	ZINC000006779557	209683568	/nfs/dbraw/zinc/68/35/68/209683568.db2.gz	NJINWLQZLJIUJL-GFCCVEGCSA-N	-1	0	392.502	3.343	3	0		GGAFRM
COC(=O)C(=C1OC(=O)C(c2ccc(OC)cc2)=C1[O-])c1ccc(OC)cc1	ZINC000095910757	291127375	/nfs/dbraw/zinc/12/73/75/291127375.db2.gz	VEJPFWDEGBXEMC-ZPHPHTNESA-N	-1	0	382.368	3.114	1	0	biogenic,in-vitro	GGAFRM
Cc1ccc(N2CCN(C(=O)Cc3c4ccccc4[nH]c3C(=O)[O-])C[C@@H]2C)cc1	ZINC000004766938	209522862	/nfs/dbraw/zinc/52/28/62/209522862.db2.gz	QOYHUOJNFDBZAT-INIZCTEOSA-N	-1	0	391.471	3.454	1	0		GGAFRM
O=C([O-])c1[nH]c2ccc(Cl)cc2c1CC(=O)Nc1ccc2c(c1)OCCO2	ZINC000004035043	209459992	/nfs/dbraw/zinc/45/99/92/209459992.db2.gz	BNGCFESDOZGYEF-UHFFFAOYSA-N	-1	0	386.791	3.472	3	0		GGAFRM
Cc1c(CC(N)=O)c2cc(OCCCC(=O)[O-])ccc2n1Cc1ccccc1	ZINC000002046971	209343791	/nfs/dbraw/zinc/34/37/91/209343791.db2.gz	STENXUCYNKOBHJ-UHFFFAOYSA-N	-1	0	380.444	3.269	1	0	in-vivo	GGAFRM
[NH3+][C@@H](Cc1cc(C[P@@](=O)([O-])O)cc(-c2ccc3ccccc3c2)c1)C(=O)[O-]	ZINC000001542006	209331920	/nfs/dbraw/zinc/33/19/20/209331920.db2.gz	GOPXMKDIVJBBQF-IBGZPJMESA-N	-1	0	385.356	3.139	1	0	investigational	GGAFRM
COc1cc(S(=O)(=O)[N-]c2nc(-c3ccc(N)cc3)cs2)ccc1Cl	ZINC000001660969	209335645	/nfs/dbraw/zinc/33/56/45/209335645.db2.gz	LZRDVOLZHYSDQR-UHFFFAOYSA-N	-1	0	395.893	3.277	1	0		GGAFRM
CSc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)cc2)cc1	ZINC000000578999	209227094	/nfs/dbraw/zinc/22/70/94/209227094.db2.gz	JDHBSANRAFEDMI-QGZVFWFLSA-N	-1	0	379.503	3.463	1	0		GGAFRM
COc1ccc([C@H](NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c2ccccc2)cc1	ZINC000169293718	211632104	/nfs/dbraw/zinc/63/21/04/211632104.db2.gz	VXINVOKFVSDVTO-GZSKETOLSA-N	-1	0	377.440	3.424	1	0		GGAFRM
COc1ccc(C=CC2=C(C(=O)[O-])[C@H](c3ccc(OC)cc3)NC(=O)N2)cc1	ZINC000103172264	211421914	/nfs/dbraw/zinc/42/19/14/211421914.db2.gz	DBEKTLKGMNFWQP-LTMNZSFGSA-N	-1	0	380.400	3.110	1	0		GGAFRM
C[C@H]1CC=C(Nc2cccc(Br)c2)c2ncc(C(=O)[O-])c(=O)n21	ZINC000101200190	211396551	/nfs/dbraw/zinc/39/65/51/211396551.db2.gz	DYBOLYDRHVFACW-VIFPVBQESA-N	-1	0	376.210	3.122	1	0		GGAFRM
CCC[C@@H](CC(=O)[O-])n1c2ccccc2n(Cc2cccc3c2CC(=O)N3)c1=O	ZINC000096270247	211328712	/nfs/dbraw/zinc/32/87/12/211328712.db2.gz	IISHZWLYDWPZIZ-HNNXBMFYSA-N	-1	0	393.443	3.162	1	0		GGAFRM
Cc1c(F)cccc1NC(=O)c1cc(=O)c2cccc(NS(C)(=O)=O)c2[n-]1	ZINC000095590267	211279835	/nfs/dbraw/zinc/27/98/35/211279835.db2.gz	VHHSYHKBEDYOKU-UHFFFAOYSA-N	-1	0	389.408	3.012	1	0		GGAFRM
CCC[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)[N-]S(C)(=O)=O	ZINC000095576675	211278808	/nfs/dbraw/zinc/27/88/08/211278808.db2.gz	PSOLULMELWKRFF-LLVKDONJSA-N	-1	0	378.928	3.286	1	0		GGAFRM
Cc1c(Cc2ccc(=O)n(Cc3ccccc3)n2)c2ccccc2n1CC(=O)[O-]	ZINC000095562884	211277304	/nfs/dbraw/zinc/27/73/04/211277304.db2.gz	IISWESNNRCUKMR-UHFFFAOYSA-N	-1	0	387.439	3.230	1	0		GGAFRM
O=C([O-])[C@H]1CCCN(S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C1	ZINC000095557313	211277237	/nfs/dbraw/zinc/27/72/37/211277237.db2.gz	WCKFYMJNMQXPSP-HNNXBMFYSA-N	-1	0	379.865	3.492	1	0		GGAFRM
C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccc(C(C)(C)C)cc1)C(=O)[O-]	ZINC000095563760	211276858	/nfs/dbraw/zinc/27/68/58/211276858.db2.gz	DXJKUBDYLQGAFL-KRWDZBQOSA-N	-1	0	390.480	3.136	1	0		GGAFRM
O=S(=O)([N-]c1ncccc1O)c1cc(-c2nc3ccccc3s2)cs1	ZINC000084687253	211172371	/nfs/dbraw/zinc/17/23/71/211172371.db2.gz	OMMVZVLJQHFCJY-UHFFFAOYSA-N	-1	0	389.483	3.348	1	0		GGAFRM
COc1cc2c(cc1OC)[C@H](O)C[C@@H]([N-]C(=O)C(F)(F)F)c1cc(O)ccc1-2	ZINC000084615023	211170664	/nfs/dbraw/zinc/17/06/64/211170664.db2.gz	OJFQSHMUCHHBPR-HUUCEWRRSA-N	-1	0	397.349	3.233	1	0		GGAFRM
COc1cc2c(cc1OC)[C@H](O)C[C@H]([N-]C(=O)C(F)(F)F)c1cc(O)ccc1-2	ZINC000084615010	211170181	/nfs/dbraw/zinc/17/01/81/211170181.db2.gz	OJFQSHMUCHHBPR-LSDHHAIUSA-N	-1	0	397.349	3.233	1	0		GGAFRM
CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc2cc(C(=O)[O-])n(O)c2c1	ZINC000073166122	211125609	/nfs/dbraw/zinc/12/56/09/211125609.db2.gz	FEPLXSDJKNQSHR-UHFFFAOYSA-N	-1	0	380.809	3.055	1	0		GGAFRM
O=c1cc(-c2ccc(I)cc2)oc2cc([O-])cc(O)c12	ZINC000072181729	211082050	/nfs/dbraw/zinc/08/20/50/211082050.db2.gz	NAMLIVNJQKOMQA-UHFFFAOYSA-N	-1	0	380.137	3.476	1	0		GGAFRM
O=C1[N-]C(=O)[C@@](c2ccc(-c3ccc4ccccc4c3)[nH]c2=O)(C(F)(F)F)O1	ZINC000071405065	211047612	/nfs/dbraw/zinc/04/76/12/211047612.db2.gz	XRCNALRZJWDTMY-SFHVURJKSA-N	-1	0	388.301	3.219	1	0		GGAFRM
O=C([O-])COc1ccc(C(F)(F)F)cc1-c1ccc2c(c1)CCS2(=O)=O	ZINC000071332119	211046746	/nfs/dbraw/zinc/04/67/46/211046746.db2.gz	RGQCCRLABIGEEH-UHFFFAOYSA-N	-1	0	386.347	3.166	1	0		GGAFRM
O=C(c1ccccc1O)n1c2ccccc2nc1-c1ccc(S(=O)(=O)[O-])cc1	ZINC000066260268	211001652	/nfs/dbraw/zinc/00/16/52/211001652.db2.gz	FBDPXQQZUGOMFH-UHFFFAOYSA-N	-1	0	394.408	3.344	1	0		GGAFRM
O=C(c1cccc(O)c1)n1c2ccccc2nc1-c1ccc(S(=O)(=O)[O-])cc1	ZINC000066251424	211001691	/nfs/dbraw/zinc/00/16/91/211001691.db2.gz	MEIOLQXBSUOMOD-UHFFFAOYSA-N	-1	0	394.408	3.344	1	0		GGAFRM
CCCCn1cc(C(=O)[O-])c(=O)c2ccc3c(nnn3Cc3ccccc3)c21	ZINC000066102424	211001374	/nfs/dbraw/zinc/00/13/74/211001374.db2.gz	GLCDACSNUVCEFL-UHFFFAOYSA-N	-1	0	376.416	3.293	1	0		GGAFRM
Cc1cc2c(CC(=O)[O-])c(C)n(Cc3ccc(S(C)(=O)=O)cc3)c2s1	ZINC000066078264	211000536	/nfs/dbraw/zinc/00/05/36/211000536.db2.gz	HRKQWLLUCDQDPQ-UHFFFAOYSA-N	-1	0	377.487	3.399	1	0		GGAFRM
O=C([O-])CCNc1c(Br)cccc1Nc1ncnc2ccncc21	ZINC000029133791	210541422	/nfs/dbraw/zinc/54/14/22/210541422.db2.gz	OTZRLGGDSCXPOW-UHFFFAOYSA-N	-1	0	388.225	3.418	1	0		GGAFRM
COc1ncc(-c2cc3c(cc2F)c(=O)c2c([O-])nsc2n3C2CC2)cn1	ZINC000028570376	210529417	/nfs/dbraw/zinc/52/94/17/210529417.db2.gz	DAUKXNUSOVHBHB-UHFFFAOYSA-N	-1	0	384.392	3.256	1	0		GGAFRM
O=C([O-])CC/C=C\C[C@H]1[C@@H](F)CC[C@@H]1CNS(=O)(=O)c1ccc(F)cc1	ZINC000028228251	210523412	/nfs/dbraw/zinc/52/34/12/210523412.db2.gz	MXMRPMLIUHJZJN-WLCRSXAISA-N	-1	0	387.448	3.279	1	0		GGAFRM
COc1ccc2c(c1)C[C@H](C(=O)[O-])N2C(=O)[C@@H](C)CSC(=O)c1ccccc1	ZINC000027319266	210511066	/nfs/dbraw/zinc/51/10/66/210511066.db2.gz	OTMYNJIFQALLAX-SCLBCKFNSA-N	-1	0	399.468	3.247	1	0		GGAFRM
O=C([O-])Cc1ccc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)nn1	ZINC000082151479	136174129	/nfs/dbraw/zinc/17/41/29/136174129.db2.gz	YKRZAYWJYMWLIZ-UHFFFAOYSA-N	-1	0	381.354	3.170	1	0		GGAFRM
CC[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)[C@@]12C(=O)[N-]C(=O)NC2=O	ZINC000028128721	581095354	/nfs/dbraw/zinc/09/53/54/581095354.db2.gz	QBWALRVIJDSECI-ZDUSSCGKSA-N	-1	0	393.399	3.187	1	0		GGAFRM
Cc1nn(-c2ccccc2)c2nc(CNc3ccc(C(=O)[O-])cc3)[nH]c(=O)c12	ZINC000653821715	1138369751	/nfs/dbraw/zinc/36/97/51/1138369751.db2.gz	XQKYJDYADZREHN-UHFFFAOYSA-N	-1	0	375.388	3.140	1	0		GGAFRM
CC(C)(C)CCCNC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1cccc(Cl)c1	ZINC000001544884	212249568	/nfs/dbraw/zinc/24/95/68/212249568.db2.gz	XMKYCCAWRIZFDM-OAHLLOKOSA-N	-1	0	382.888	3.246	1	0		GGAFRM
COc1ccc(N(C)C(=O)c2c([O-])c3cc(SC)ccc3n(C)c2=O)cc1	ZINC000000605932	212164333	/nfs/dbraw/zinc/16/43/33/212164333.db2.gz	QYYXJJJTEKDMDW-UHFFFAOYSA-N	-1	0	384.457	3.251	1	0		GGAFRM
COc1ccc([C@H]2[C@@H](C(=O)[O-])c3ccccc3C(=O)N2C)cc1Br	ZINC000004035180	220674356	/nfs/dbraw/zinc/67/43/56/220674356.db2.gz	BMPCFTVFJUUIBJ-HOTGVXAUSA-N	-1	0	390.233	3.453	3	0		GGAFRM
CC(=O)c1ccc(OCCCCOc2ccc(-c3nn[nH]n3)cc2)c(C)c1O	ZINC000013582291	221275275	/nfs/dbraw/zinc/27/52/75/221275275.db2.gz	CUTGCQOPZLWLSV-UHFFFAOYSA-N	-1	0	382.420	3.321	1	0		GGAFRM
Cc1ccc2c(c1)C([O-])=C(C(=O)Nc1ccc(Cl)cc1)N(C)S2(=O)=O	ZINC000013605419	221276862	/nfs/dbraw/zinc/27/68/62/221276862.db2.gz	PNBZUOIKZAEMAR-UHFFFAOYSA-N	-1	0	378.837	3.148	1	0		GGAFRM
CN1C([O-])=C(C(=O)Nc2ccccc2Cl)c2cc(Cl)ccc2S1(=O)=O	ZINC000013605522	221277409	/nfs/dbraw/zinc/27/74/09/221277409.db2.gz	ZMIZKLFUKIHSJC-UHFFFAOYSA-N	-1	0	399.255	3.493	1	0		GGAFRM
CC(C)(C)CCNC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1ccc2ccccc2c1	ZINC000013447223	221268719	/nfs/dbraw/zinc/26/87/19/221268719.db2.gz	CVLRHNHCSGVRPR-GOSISDBHSA-N	-1	0	384.476	3.355	1	0		GGAFRM
CC1(C)CCC(NC(=O)[C@@H](CCC(=O)[O-])NC(=O)c2cccc(Cl)c2)CC1	ZINC000013447250	221269295	/nfs/dbraw/zinc/26/92/95/221269295.db2.gz	DZPZELCMOBVEOB-MRXNPFEDSA-N	-1	0	394.899	3.388	1	0		GGAFRM
Cc1c(CC(N)=O)c2cc(NCCCC(=O)[O-])ccc2n1Cc1ccccc1	ZINC000013446152	221269553	/nfs/dbraw/zinc/26/95/53/221269553.db2.gz	AUNYZVMGQGKPEB-UHFFFAOYSA-N	-1	0	379.460	3.303	1	0		GGAFRM
COc1nc(Br)cnc1[N-]S(=O)(=O)c1cccc2ccccc21	ZINC000013761377	221288211	/nfs/dbraw/zinc/28/82/11/221288211.db2.gz	SNZBYFGGSSWJKY-UHFFFAOYSA-N	-1	0	394.250	3.202	1	0		GGAFRM
CCCCCC(=O)OC[C@@H](CO[P@@](=O)([O-])OC)OC(=O)CCCCC	ZINC000013760012	221288604	/nfs/dbraw/zinc/28/86/04/221288604.db2.gz	FPAQPGHMQIVIBS-AWEZNQCLSA-N	-1	0	382.390	3.365	1	0		GGAFRM
O=C([O-])[C@H](CCCCn1cnc2c1NC=NC[C@@H]2O)Cc1cccc(Cl)c1	ZINC000013807313	221289872	/nfs/dbraw/zinc/28/98/72/221289872.db2.gz	ILCBREXWAFCKSC-ZBFHGGJFSA-N	-1	0	390.871	3.138	1	0		GGAFRM
CSc1ccc2sc(Cn3nc(CC(=O)[O-])c4ccccc4c3=O)nc2c1	ZINC000013860749	221291581	/nfs/dbraw/zinc/29/15/81/221291581.db2.gz	LGBNGGLMVUASAG-UHFFFAOYSA-N	-1	0	397.481	3.404	1	0		GGAFRM
Cc1c(CC(=O)[O-])c2cc(OCCO)ccc2n1C(=O)c1ccc(Cl)cc1	ZINC000013862791	221292155	/nfs/dbraw/zinc/29/21/55/221292155.db2.gz	ULSXNQVHBXBRTL-UHFFFAOYSA-N	-1	0	387.819	3.290	1	0		GGAFRM
O=C([O-])Cc1nn(Cc2nc3c(cccc3Cl)s2)c(=O)c2ccccc12	ZINC000013860739	221292292	/nfs/dbraw/zinc/29/22/92/221292292.db2.gz	FHGBIRPZGCDNHK-UHFFFAOYSA-N	-1	0	385.832	3.335	1	0		GGAFRM
COc1ccccc1C1=C(Nc2cc(Cl)c([O-])c(Cl)c2)C(=O)NC1=O	ZINC000014946007	221318913	/nfs/dbraw/zinc/31/89/13/221318913.db2.gz	PYBQDPOCAWUSJF-UHFFFAOYSA-N	-1	0	379.199	3.187	1	0		GGAFRM
COc1ccc(C2=NO[C@@H](Cn3nc(C(=O)[O-])cc3-c3ccccc3)C2)cc1	ZINC000015934979	221352777	/nfs/dbraw/zinc/35/27/77/221352777.db2.gz	HEOQYACALDYGSP-QGZVFWFLSA-N	-1	0	377.400	3.450	3	0		GGAFRM
Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)OC(=O)[C@@H](C(=O)[O-])C2	ZINC000027084405	221650327	/nfs/dbraw/zinc/65/03/27/221650327.db2.gz	SOUUOGLNYONKCS-QGZVFWFLSA-N	-1	0	393.395	3.434	1	0		GGAFRM
O=C([O-])[C@@H]1Cc2cc(S(=O)(=O)c3cccs3)c(Cl)c(Cl)c2O1	ZINC000028003311	221665330	/nfs/dbraw/zinc/66/53/30/221665330.db2.gz	FULQLTVJEXYJSG-ZETCQYMHSA-N	-1	0	379.242	3.276	1	0		GGAFRM
O=C(NCc1ccc(F)cc1)c1c([O-])c2ncsc2n(-c2ccccc2)c1=O	ZINC000035010323	221811894	/nfs/dbraw/zinc/81/18/94/221811894.db2.gz	DFFNMSSFMKSXMB-UHFFFAOYSA-N	-1	0	395.415	3.222	1	0		GGAFRM
Cc1c(Cc2ccc(S(C)(=O)=O)cc2)c2cc(F)ccc2n1CC(=O)[O-]	ZINC000038331213	221878189	/nfs/dbraw/zinc/87/81/89/221878189.db2.gz	VURBJTJUNFTLRH-UHFFFAOYSA-N	-1	0	375.421	3.168	1	0		GGAFRM
NS(=O)(=O)c1cc(C(=O)[O-])c(NCc2ccco2)cc1Oc1ccccc1	ZINC000039199230	221887668	/nfs/dbraw/zinc/88/76/68/221887668.db2.gz	LRBLIMZJQFWDLI-UHFFFAOYSA-N	-1	0	388.401	3.030	1	0		GGAFRM
Cn1nc2c(c1CCC(=O)Nc1ccccc1C(=O)[O-])CCc1cc(O)ccc1-2	ZINC000045483863	221963396	/nfs/dbraw/zinc/96/33/96/221963396.db2.gz	VRGDFIQDEBFXNC-UHFFFAOYSA-N	-1	0	391.427	3.161	1	0		GGAFRM
COc1cc(-c2cnc(N)c(-c3ccc(C(=O)[O-])cc3)n2)cc(OC)c1OC	ZINC000058650700	222055588	/nfs/dbraw/zinc/05/55/88/222055588.db2.gz	JOVBKEMPKRSFDQ-UHFFFAOYSA-N	-1	0	381.388	3.117	1	0	in-vitro	GGAFRM
O=C([O-])c1cnn(-c2nc3c(cc(OC(F)(F)F)cc3Br)[nH]2)c1	ZINC000066128581	222138506	/nfs/dbraw/zinc/13/85/06/222138506.db2.gz	PYWMNDHHEJYSFX-UHFFFAOYSA-N	-1	0	391.103	3.108	1	0		GGAFRM
Nc1ccccc1C(=O)n1c2ccccc2nc1-c1ccc(S(=O)(=O)[O-])cc1	ZINC000066262157	222138782	/nfs/dbraw/zinc/13/87/82/222138782.db2.gz	RBRHSZTVTINLHX-UHFFFAOYSA-N	-1	0	393.424	3.221	1	0		GGAFRM
CC(C)c1c(=O)n([O-])c(=O)n(CCc2ccc(F)cc2)c1Cc1ccccc1	ZINC000071296708	222180870	/nfs/dbraw/zinc/18/08/70/222180870.db2.gz	SABKQJJDOIEPBQ-UHFFFAOYSA-N	-1	0	382.435	3.343	1	0		GGAFRM
CC(=O)N[C@@H](CSCC1=CC=C2C=Cc3cccc4c3[C@H]2C1=CC4)C(=O)[O-]	ZINC000071332184	222182220	/nfs/dbraw/zinc/18/22/20/222182220.db2.gz	YSISPQXLVACETJ-PZJWPPBQSA-N	-1	0	379.481	3.468	1	0		GGAFRM
O=C1[N-]C(=O)[C@](c2ccc(-c3ccc4ccccc4c3)[nH]c2=O)(C(F)(F)F)O1	ZINC000071405064	222183350	/nfs/dbraw/zinc/18/33/50/222183350.db2.gz	XRCNALRZJWDTMY-GOSISDBHSA-N	-1	0	388.301	3.219	1	0		GGAFRM
Nc1ncc2cc(-c3cncc([N-]S(=O)(=O)c4ccccc4)c3)ccc2n1	ZINC000073158306	222266222	/nfs/dbraw/zinc/26/62/22/222266222.db2.gz	CHQIIDGJJHNJCO-UHFFFAOYSA-N	-1	0	377.429	3.075	1	0		GGAFRM
O=C([O-])CNC(=O)c1ccc(-c2ccc(NC(=O)Nc3ccccc3)nc2)cc1	ZINC000072124774	222209126	/nfs/dbraw/zinc/20/91/26/222209126.db2.gz	UZIPNMNJEOYWMS-UHFFFAOYSA-N	-1	0	390.399	3.207	1	0		GGAFRM
COc1cccc(NC(=O)c2ncc(C(=O)[O-])c3cc(OC)c(OC)cc32)c1	ZINC000073169364	222268209	/nfs/dbraw/zinc/26/82/09/222268209.db2.gz	IOHDJKVEEXVKED-UHFFFAOYSA-N	-1	0	382.372	3.211	1	0		GGAFRM
COc1cc2c(cc1OC)[C@@H](O)C[C@@H]([N-]C(=O)C(F)(F)F)c1cc(O)ccc1-2	ZINC000084615025	222318147	/nfs/dbraw/zinc/31/81/47/222318147.db2.gz	OJFQSHMUCHHBPR-CABCVRRESA-N	-1	0	397.349	3.233	1	0		GGAFRM
O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3ccccc3Cl)c2)C1	ZINC000095556586	222354183	/nfs/dbraw/zinc/35/41/83/222354183.db2.gz	SBFWCFHPBVYIJM-CQSZACIVSA-N	-1	0	379.865	3.492	1	0		GGAFRM
O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C1	ZINC000095557314	222355080	/nfs/dbraw/zinc/35/50/80/222355080.db2.gz	WCKFYMJNMQXPSP-OAHLLOKOSA-N	-1	0	379.865	3.492	1	0		GGAFRM
CS(=O)(=O)Nc1cccc2c(=O)cc(C(=O)Nc3ccccc3Cl)[n-]c12	ZINC000095590006	222357543	/nfs/dbraw/zinc/35/75/43/222357543.db2.gz	QVMYYPQUSVVFPS-UHFFFAOYSA-N	-1	0	391.836	3.218	1	0		GGAFRM
CC(C)C[C@H](CO)Nc1nc(SCc2ccccc2)[n-]c2nc(=O)sc1-2	ZINC000095603214	222360078	/nfs/dbraw/zinc/36/00/78/222360078.db2.gz	LOSWDIGGZMWFHV-CYBMUJFWSA-N	-1	0	390.534	3.491	1	0		GGAFRM
CCOC(=O)c1c([O-])c2ncc(Cc3ccc(F)cc3)cc2n(CC2CC2)c1=O	ZINC000101661487	222473993	/nfs/dbraw/zinc/47/39/93/222473993.db2.gz	MMIADXBECWJAKC-UHFFFAOYSA-N	-1	0	396.418	3.419	1	0		GGAFRM
O=C([N-]S(=O)(=O)[C@H]1CCCCCC1=O)Nc1cc(Cl)ccc1Cl	ZINC000103206516	222492034	/nfs/dbraw/zinc/49/20/34/222492034.db2.gz	BNLIINRMMIGSCL-ZDUSSCGKSA-N	-1	0	379.265	3.347	1	0		GGAFRM
O=C([O-])[C@@H]1Cc2cccc(c2)OC/C=C\COc2ccc(c(Cl)c2)C(=O)N1	ZINC000103258297	222494461	/nfs/dbraw/zinc/49/44/61/222494461.db2.gz	KBMXMIHYKVQSHP-KROLTMCQSA-N	-1	0	387.819	3.093	1	0		GGAFRM
CCCCOc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1C(=O)c1ccccc1	ZINC000169341365	222535554	/nfs/dbraw/zinc/53/55/54/222535554.db2.gz	RPFQXAWNXKXMAH-UHFFFAOYSA-N	-1	0	376.430	3.198	1	0		GGAFRM
CC/C=C\C[C@H](O)[C@H](O)/C=C/C=C/C=C\C=C\[C@H](O)C/C=C\CCC(=O)[O-]	ZINC000012495771	571694731	/nfs/dbraw/zinc/69/47/31/571694731.db2.gz	IKFAUGXNBOBQDM-ODXLUVBTSA-N	-1	0	376.493	3.461	1	0	endogenous,in-man	GGAFRM
CCCCC[C@@H](O)CCCN1CCC(=O)N1CCc1ccc(C(=O)[O-])cc1	ZINC000003815968	204020243	/nfs/dbraw/zinc/02/02/43/204020243.db2.gz	XZWDACYVXIULCX-LJQANCHMSA-N	-1	0	376.497	3.098	1	0		GGAFRM
CCCCC1(Oc2ccc(Oc3ccc(F)cc3)cc2)C(=O)[N-]C(=O)NC1=O	ZINC000003933818	204021114	/nfs/dbraw/zinc/02/11/14/204021114.db2.gz	LULDMUCKTFCMAU-UHFFFAOYSA-N	-1	0	386.379	3.292	1	0		GGAFRM
O=C([O-])c1[nH]c2ccc(Cl)cc2c1CC(=O)N1CCN(c2ccccc2)CC1	ZINC000004057436	204025288	/nfs/dbraw/zinc/02/52/88/204025288.db2.gz	OWXPVOOCDZDFSN-UHFFFAOYSA-N	-1	0	397.862	3.411	3	0		GGAFRM
CCN(C(=O)CCC(=O)[O-])c1nc(CC(=O)Nc2ccc(Cl)cc2)cs1	ZINC000004187184	204032077	/nfs/dbraw/zinc/03/20/77/204032077.db2.gz	NINORNIBHACRCA-UHFFFAOYSA-N	-1	0	395.868	3.195	1	0		GGAFRM
CCCCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1	ZINC000005837982	204153172	/nfs/dbraw/zinc/15/31/72/204153172.db2.gz	VDVCEGADBLZSHB-UHFFFAOYSA-N	-1	0	387.455	3.096	1	0		GGAFRM
COc1cc2c(cc1OC)[C@@H](C(=O)[O-])[C@H](c1cn(C)c3ccccc13)N(C)C2=O	ZINC000008659919	204283330	/nfs/dbraw/zinc/28/33/30/204283330.db2.gz	GNMFGIQXFQNRBA-UXHICEINSA-N	-1	0	394.427	3.191	1	0		GGAFRM
CC(C)(C)OC(=O)N1CCC(C[C@H]2CC(c3ccncc3)=NO2)(C(=O)[O-])CC1	ZINC000012726572	204439609	/nfs/dbraw/zinc/43/96/09/204439609.db2.gz	CQBVYFRFJBFQFT-OAHLLOKOSA-N	-1	0	389.452	3.067	3	0		GGAFRM
CCCCCNC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1ccc(Cl)c(Cl)c1	ZINC000013447204	204489891	/nfs/dbraw/zinc/48/98/91/204489891.db2.gz	PQUOACIGRGYUFJ-CQSZACIVSA-N	-1	0	389.279	3.263	1	0		GGAFRM
O=C([O-])Cc1nn(Cc2csc(-c3ccccc3F)n2)c(=O)c2ccccc12	ZINC000013449073	204490696	/nfs/dbraw/zinc/49/06/96/204490696.db2.gz	CKFALBKFAWADSG-UHFFFAOYSA-N	-1	0	395.415	3.335	1	0		GGAFRM
COc1cc(C)nc(O[C@@H](C(=O)[O-])C(OC)(c2ccccc2)c2ccccc2)n1	ZINC000013756066	204511861	/nfs/dbraw/zinc/51/18/61/204511861.db2.gz	MIDBNMYTUQUADA-IBGZPJMESA-N	-1	0	394.427	3.216	1	0		GGAFRM
O=S(=O)([N-]C(=S)Nc1ccc(Cl)cc1)c1cccc2snnc21	ZINC000026381380	204841949	/nfs/dbraw/zinc/84/19/49/204841949.db2.gz	FPPAEYXIKXNVFD-UHFFFAOYSA-N	-1	0	384.895	3.020	1	0		GGAFRM
CC(C)(C)NC(=O)[C@@H](NC(=O)c1ccc(/C=C/C(=O)[O-])cc1)c1ccccc1	ZINC000026745172	204848643	/nfs/dbraw/zinc/84/86/43/204848643.db2.gz	SMQWVASILUKVIT-VUVZNRFTSA-N	-1	0	380.444	3.170	1	0		GGAFRM
O=C([O-])CC[C@H](NC(=O)c1cccc(Cl)c1)C(=O)NC1CCCCCC1	ZINC000027215201	204854397	/nfs/dbraw/zinc/85/43/97/204854397.db2.gz	HKEMPECXDJVBST-INIZCTEOSA-N	-1	0	380.872	3.142	1	0		GGAFRM
O=C([O-])CCc1ccc2c(c1)C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)C2	ZINC000027325706	204854480	/nfs/dbraw/zinc/85/44/80/204854480.db2.gz	IDRNSJDLCRZHLP-CQSZACIVSA-N	-1	0	393.892	3.051	1	0		GGAFRM
Cc1c(CC(=O)[O-])c2cccnc2n1S(=O)(=O)c1ccc(F)c(Cl)c1	ZINC000034641397	204970043	/nfs/dbraw/zinc/97/00/43/204970043.db2.gz	RXMROYPWKDYKEM-UHFFFAOYSA-N	-1	0	382.800	3.001	1	0		GGAFRM
O=C([O-])c1ccccc1NC(=O)CCc1[nH]nc2c1CCc1cc(O)ccc1-2	ZINC000035983159	204999941	/nfs/dbraw/zinc/99/99/41/204999941.db2.gz	ITJKTHPPSWVYSJ-UHFFFAOYSA-N	-1	0	377.400	3.150	1	0		GGAFRM
COC[C@@H](C)Oc1cc(OC(C)C)cc(C(=O)Nc2ccc(C(=O)[O-])cn2)c1	ZINC000038156639	205036061	/nfs/dbraw/zinc/03/60/61/205036061.db2.gz	MQDXDORISMQWFB-CYBMUJFWSA-N	-1	0	388.420	3.233	1	0		GGAFRM
COC[C@H](C)Oc1cc(OC(C)C)cc(C(=O)Nc2ccc(C(=O)[O-])cn2)c1	ZINC000038156640	205036524	/nfs/dbraw/zinc/03/65/24/205036524.db2.gz	MQDXDORISMQWFB-ZDUSSCGKSA-N	-1	0	388.420	3.233	1	0		GGAFRM
O=c1nc(CN2CC[C@H](O)C2)[n-]c2c3cc(-c4ccsc4)ccc3sc21	ZINC000045287395	205094334	/nfs/dbraw/zinc/09/43/34/205094334.db2.gz	JZJFOEZBTQXBKQ-ZDUSSCGKSA-N	-1	0	383.498	3.433	1	0		GGAFRM
O=c1nc(CN2CC[C@H](O)C2)[n-]c2c3cc(-c4ccccc4)ccc3sc21	ZINC000045288163	205094504	/nfs/dbraw/zinc/09/45/04/205094504.db2.gz	RVEDMOLIJBWGQX-HNNXBMFYSA-N	-1	0	377.469	3.371	1	0		GGAFRM
O=C(c1cc(Cl)c([O-])cc1O)N1Cc2ccccc2[C@@H]1C(=O)N1CCCC1	ZINC000045317010	205094971	/nfs/dbraw/zinc/09/49/71/205094971.db2.gz	OMUNXMLDEXCDQI-GOSISDBHSA-N	-1	0	386.835	3.071	1	0		GGAFRM
O=C([O-])c1cn(Cc2ccc(-c3cccnc3)cn2)c2c(F)cccc2c1=O	ZINC000045389065	205095525	/nfs/dbraw/zinc/09/55/25/205095525.db2.gz	NOHQQPQDHAVWGT-UHFFFAOYSA-N	-1	0	375.359	3.344	1	0		GGAFRM
Cc1nn(-c2ccccc2)c2ncc3c(c12)C(=O)N(c1ccc(C(=O)[O-])cc1)C3=O	ZINC000045339764	205096179	/nfs/dbraw/zinc/09/61/79/205096179.db2.gz	QGKLJVLPEQHGSE-UHFFFAOYSA-N	-1	0	398.378	3.228	1	0		GGAFRM
O=C([O-])c1cn(Cc2cnc(-c3ccccc3)nc2)c2c(F)cccc2c1=O	ZINC000045368042	205096658	/nfs/dbraw/zinc/09/66/58/205096658.db2.gz	SKNHGBJADFDQDC-UHFFFAOYSA-N	-1	0	375.359	3.344	1	0		GGAFRM
CC1(C)CN=C2C(=O)c3cc([N-]S(=O)(=O)c4ccccc4F)ccc3N2C1	ZINC000045392953	205096809	/nfs/dbraw/zinc/09/68/09/205096809.db2.gz	HFAMWLLEZDOVIP-UHFFFAOYSA-N	-1	0	387.436	3.068	1	0		GGAFRM
O=C([O-])C1=C(NC(=O)CCc2cnn3c2ccc2cc(O)ccc23)CCCC1	ZINC000045483917	205097501	/nfs/dbraw/zinc/09/75/01/205097501.db2.gz	IVXFIEKMACDGAS-UHFFFAOYSA-N	-1	0	379.416	3.155	1	0		GGAFRM
C[C@@]1(C(=O)[O-])CCC[C@]2(C)[C@@H]1CC[C@@]13CC[C@@H](C[C@@H]21)[C@H](CS(C)(=O)=O)[C@H]3O	ZINC000040764200	205071138	/nfs/dbraw/zinc/07/11/38/205071138.db2.gz	IFGGQOZWLVIFLY-YOFIRYATSA-N	-1	0	398.565	3.116	1	0		GGAFRM
Cc1c([C@H]2NS(=O)(=O)c3ccccc32)c2cc(Cl)ccc2n1CC(=O)[O-]	ZINC000049035511	205124680	/nfs/dbraw/zinc/12/46/80/205124680.db2.gz	MQFYWGYSTUZJSG-SFHVURJKSA-N	-1	0	390.848	3.069	1	0		GGAFRM
O=C([O-])c1cn(Cc2ccc(-c3ccc(F)cc3)cn2)c2c(c1=O)[C@H](O)CCC2	ZINC000049072805	205125065	/nfs/dbraw/zinc/12/50/65/205125065.db2.gz	LYBSBOMFEFIOAX-LJQANCHMSA-N	-1	0	394.402	3.166	1	0		GGAFRM
Cc1c(C[C@@H](C)C(=O)Nc2ccccc2C(=O)[O-])cnn1-c1ccc(O)cc1	ZINC000049111983	205126442	/nfs/dbraw/zinc/12/64/42/205126442.db2.gz	XUZKZJUMJQXACN-CYBMUJFWSA-N	-1	0	379.416	3.402	1	0		GGAFRM
COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc(C(=O)[O-])cc3)C[C@H]1C=N2	ZINC000049807913	205129802	/nfs/dbraw/zinc/12/98/02/205129802.db2.gz	SQUFTZRTPQGSHW-HNNXBMFYSA-N	-1	0	378.384	3.374	1	0		GGAFRM
CCN(c1ccc(C(=O)[O-])cn1)c1ccc2c(C(F)(F)F)cc(=O)n(C)c2n1	ZINC000058581325	205175955	/nfs/dbraw/zinc/17/59/55/205175955.db2.gz	OWULAYJCSWMSCZ-UHFFFAOYSA-N	-1	0	392.337	3.204	1	0		GGAFRM
Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C/c2ccc(Br)cc2)cc1	ZINC000060494351	205181827	/nfs/dbraw/zinc/18/18/27/205181827.db2.gz	POZWYAGBFLOBOO-IZZDOVSWSA-N	-1	0	380.263	3.276	1	0		GGAFRM
COC(=O)C(=C1OC(=O)C(c2ccc(OC)cc2)=C1[O-])c1ccc(C(C)=O)cc1	ZINC000064447496	205189788	/nfs/dbraw/zinc/18/97/88/205189788.db2.gz	OQEKHMRMVQTMKW-CZIZESTLSA-N	-1	0	394.379	3.308	1	0		GGAFRM
Cc1c2c(cc(=O)n1Cc1ccccn1)[n-]n(Cc1ccc(F)cc1Cl)c2=O	ZINC000064448804	205190017	/nfs/dbraw/zinc/19/00/17/205190017.db2.gz	OIVBQOLEYJUBFJ-UHFFFAOYSA-N	-1	0	398.825	3.084	1	0		GGAFRM
O=C(c1cccnc1)n1c2ccccc2nc1-c1ccc(S(=O)(=O)[O-])cc1	ZINC000066260267	205241614	/nfs/dbraw/zinc/24/16/14/205241614.db2.gz	ATMHSAHYCHVITQ-UHFFFAOYSA-N	-1	0	379.397	3.034	1	0		GGAFRM
COc1cc2c(cc1OC)C(=O)C[C@@H]([N-]C(=O)C(F)(F)F)c1cc(O)ccc1-2	ZINC000084615007	205395699	/nfs/dbraw/zinc/39/56/99/205395699.db2.gz	IPTWJNDTHYBOBW-CQSZACIVSA-N	-1	0	395.333	3.382	1	0		GGAFRM
CCC[C@H](CC1(C(=O)N[C@H]2CC[C@@H](C(=O)N(C)C)CC2)CCCC1)C(=O)[O-]	ZINC000101057937	205616059	/nfs/dbraw/zinc/61/60/59/205616059.db2.gz	BFHMTMVYWRPPAG-BRWVUGGUSA-N	-1	0	380.529	3.201	1	0		GGAFRM
Cc1cc(-c2nc(C(N)=O)c(C)nc2C)ccc1-c1ccc(CC(=O)[O-])cc1	ZINC000103298714	205645052	/nfs/dbraw/zinc/64/50/52/205645052.db2.gz	JADHSBDORWFJFX-UHFFFAOYSA-N	-1	0	375.428	3.462	1	0		GGAFRM
O=c1oc2ccccc2c([O-])c1C1=NN[C@H](c2c[nH]nc2-c2ccccc2O)C1	ZINC000103288276	205645108	/nfs/dbraw/zinc/64/51/08/205645108.db2.gz	ZYAWPNAOCUGVEP-AWEZNQCLSA-N	-1	0	388.383	3.033	1	0		GGAFRM
O=C([O-])[C@@H]1Cc2cccc(c2)OC/C=C\COc2cccc(Cl)c2C(=O)N1	ZINC000169313215	205826391	/nfs/dbraw/zinc/82/63/91/205826391.db2.gz	NSAHPDSQIRNDGO-AIMAZDRCSA-N	-1	0	387.819	3.093	1	0		GGAFRM
CCC[C@@H](CC1(C(=O)N[C@H]2CCC[C@@H](C(=O)N(C)C)C2)CCCC1)C(=O)[O-]	ZINC000169354503	205829877	/nfs/dbraw/zinc/82/98/77/205829877.db2.gz	DXFWFDIVNNUBBJ-IKGGRYGDSA-N	-1	0	380.529	3.201	1	0		GGAFRM
COc1ccc2c(c1)c(CC(=O)[O-])c(C)n2Cc1ccn(C(F)F)c(=O)c1	ZINC000064549101	222073704	/nfs/dbraw/zinc/07/37/04/222073704.db2.gz	RNMRGHIWLVUBOE-UHFFFAOYSA-N	-1	0	376.359	3.191	1	0		GGAFRM
O=C([O-])[C@H]1Cc2ccccc2OCCCCOc2ccc(Cl)c(c2)C(=O)N1	ZINC000103258312	222494767	/nfs/dbraw/zinc/49/47/67/222494767.db2.gz	PDACXFQBPUKEST-QGZVFWFLSA-N	-1	0	389.835	3.317	1	0		GGAFRM
CC(=O)CC[C@@]1(C)CC[C@]2(C(C)C)O[C@@H](O)[C@H](OC(=O)c3ccc(O)cc3)[C@H]12	ZINC000032296494	560089206	/nfs/dbraw/zinc/08/92/06/560089206.db2.gz	NXAOPHXQGPBAHR-FTSHXLFYSA-N	-1	0	390.476	3.447	1	0	biogenic,in-vitro	GGAFRM
CC/C=C\C[C@H](O)/C=C/C=C\C=C\C=C\[C@H](O)[C@@H](O)C/C=C\CCC(=O)[O-]	ZINC000012496203	571695178	/nfs/dbraw/zinc/69/51/78/571695178.db2.gz	OIWTWACQMDFHJG-LDOXQWQISA-N	-1	0	376.493	3.461	1	0	endogenous,in-man	GGAFRM
C[C@@H](CSC(=O)c1ccccc1)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	ZINC000028096985	581094781	/nfs/dbraw/zinc/09/47/81/581094781.db2.gz	XPHRQXQATAKGTE-HJWJTTGWSA-N	-1	0	375.490	3.440	1	0		GGAFRM
CCO[C@@H](Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(=O)[O-]	ZINC000013909846	581098253	/nfs/dbraw/zinc/09/82/53/581098253.db2.gz	FJENKDXEWRLENI-IBGZPJMESA-N	-1	0	384.432	3.375	1	0	in-vivo	GGAFRM
O=C1C[C@]2(O)c3ccccc3O[C@H]3c4cc(O)ccc4-c4c(O)cc(O)c1c4[C@@H]32	ZINC000029128815	206261919	/nfs/dbraw/zinc/26/19/19/206261919.db2.gz	CJDAIJHZTKDLTJ-VABKMULXSA-N	-1	0	388.375	3.475	1	0	in-vivo	GGAFRM
O=C([O-])c1cc(NC2=C(c3cccc(Cl)c3)C(=O)NC2=O)ccc1Cl	ZINC000002047365	206396043	/nfs/dbraw/zinc/39/60/43/206396043.db2.gz	ONVZFCHLOZUXRP-UHFFFAOYSA-N	-1	0	377.183	3.171	1	0	in-vivo	GGAFRM
C[C@H]1CCCc2c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])n(-c3ccc(F)cc3)nc21	ZINC000013833983	207002717	/nfs/dbraw/zinc/00/27/17/207002717.db2.gz	UQXRYRQZJFRMCV-ASTBQRGSSA-N	-1	0	388.439	3.051	1	0		GGAFRM
COc1cccc(C2=C(Nc3cc(Cl)c([O-])c(Cl)c3)C(=O)NC2=O)c1	ZINC000014946010	207033058	/nfs/dbraw/zinc/03/30/58/207033058.db2.gz	SDCHARFPZYFAKJ-UHFFFAOYSA-N	-1	0	379.199	3.187	1	0		GGAFRM
O=C([O-])c1cn(C2CC2)c2c(F)c(N3Cc4cccnc4C3)c(F)cc2c1=O	ZINC000026959278	207321682	/nfs/dbraw/zinc/32/16/82/207321682.db2.gz	ZEIRRIXAYZFMKO-UHFFFAOYSA-N	-1	0	383.354	3.228	1	0		GGAFRM
O=C([O-])CCC/C=C/C[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1CNC(=O)NCc1ccccc1	ZINC000026496614	207314930	/nfs/dbraw/zinc/31/49/30/207314930.db2.gz	WKHILVPAOTUCOV-OSZQSPJESA-N	-1	0	386.492	3.481	1	0		GGAFRM
COc1ccc(-c2cc3c(OC)cc(OC)cc3n(CCC(=O)[O-])c2=O)cc1	ZINC000026574471	207315946	/nfs/dbraw/zinc/31/59/46/207315946.db2.gz	LACPXHZMMOTXCR-UHFFFAOYSA-N	-1	0	383.400	3.169	1	0		GGAFRM
O=C([O-])[C@H]1Cc2cc(S(=O)(=O)c3cccs3)c(Cl)c(Cl)c2O1	ZINC000028003315	207333915	/nfs/dbraw/zinc/33/39/15/207333915.db2.gz	FULQLTVJEXYJSG-SSDOTTSWSA-N	-1	0	379.242	3.276	1	0		GGAFRM
O=C1CC[C@@]2(C(=O)[N-]C(=O)NC2=O)N1c1ccc(Oc2cccc(Cl)c2)cc1	ZINC000028136744	207334318	/nfs/dbraw/zinc/33/43/18/207334318.db2.gz	OBJUQGMKRHTFFQ-UHFFFAOYSA-N	-1	0	399.790	3.204	1	0		GGAFRM
O=C([O-])Cc1ccc2c(c1)C[C@@H](CNS(=O)(=O)c1cccc3ccccc31)C2	ZINC000027332523	207324693	/nfs/dbraw/zinc/32/46/93/207324693.db2.gz	UYTPIQWSIUBSPO-INIZCTEOSA-N	-1	0	395.480	3.160	1	0		GGAFRM
CC1(C)CC[C@H](C(=O)N2CCC[C@H]2C(=O)[O-])[C@H]1SC(=O)c1ccccc1	ZINC000027411652	207326078	/nfs/dbraw/zinc/32/60/78/207326078.db2.gz	TXJJUUYYKFMQBQ-HRCADAONSA-N	-1	0	375.490	3.440	1	0		GGAFRM
O=C([O-])CCNC(=O)COc1c2ccccc2[nH]c1-c1cc2ccccc2[nH]1	ZINC000027653407	207328794	/nfs/dbraw/zinc/32/87/94/207328794.db2.gz	UAYBIGLRCAGWDZ-UHFFFAOYSA-N	-1	0	377.400	3.286	1	0		GGAFRM
O=c1c2c([O-])nsc2n(C2CC2)c2cc(-c3ccnc(CO)c3)c(F)cc12	ZINC000028570395	207344741	/nfs/dbraw/zinc/34/47/41/207344741.db2.gz	XWEKHFOAUICQEU-UHFFFAOYSA-N	-1	0	383.404	3.345	1	0		GGAFRM
COCC[C@@H](CC1(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)CCCC1)C(=O)[O-]	ZINC000028641704	207346371	/nfs/dbraw/zinc/34/63/71/207346371.db2.gz	CQBVAAQFFFJGPG-RYQLBKOJSA-N	-1	0	377.456	3.486	1	0		GGAFRM
CC(=O)c1cc(Br)ccc1NCC(=O)Nc1ccccc1C(=O)[O-]	ZINC000028644274	207347005	/nfs/dbraw/zinc/34/70/05/207347005.db2.gz	SGJWDOZOWCZCRZ-UHFFFAOYSA-N	-1	0	391.221	3.401	1	0		GGAFRM
COCC[C@H](CC1(C(=O)NCCCc2ccc(OC)cc2)CCCC1)C(=O)[O-]	ZINC000028641316	207347143	/nfs/dbraw/zinc/34/71/43/207347143.db2.gz	RYJNYIUWPGRISX-GOSISDBHSA-N	-1	0	391.508	3.432	1	0		GGAFRM
CN1C(C(=O)Nc2ccc(Cl)cc2)=C([O-])c2cc(Cl)ccc2S1(=O)=O	ZINC000028105368	207335373	/nfs/dbraw/zinc/33/53/73/207335373.db2.gz	CLLIBIDQQBDQGW-UHFFFAOYSA-N	-1	0	399.255	3.493	1	0		GGAFRM
CC[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)[C@]12C(=O)[N-]C(=O)NC2=O	ZINC000028128714	207335489	/nfs/dbraw/zinc/33/54/89/207335489.db2.gz	QBWALRVIJDSECI-CYBMUJFWSA-N	-1	0	393.399	3.187	1	0		GGAFRM
O=C([O-])CCC/C=C\C[C@H]1[C@H](F)CC[C@@H]1NS(=O)(=O)c1ccc(F)cc1	ZINC000028232731	207337257	/nfs/dbraw/zinc/33/72/57/207337257.db2.gz	FSSSDPWFJBFSRT-CIWJSOGRSA-N	-1	0	387.448	3.422	1	0		GGAFRM
Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@@H](F)[C@@H]2C/C=C\CCC(=O)[O-])cc1	ZINC000028233396	207338456	/nfs/dbraw/zinc/33/84/56/207338456.db2.gz	UVAMNKVAWOQLBS-VNRACNKISA-N	-1	0	383.485	3.449	1	0		GGAFRM
COc1cc2[n-]c(=S)n(CCc3ccncc3)c(=O)c2cc1-c1cnco1	ZINC000028332677	207341082	/nfs/dbraw/zinc/34/10/82/207341082.db2.gz	BXARZKAEXHGXNX-UHFFFAOYSA-N	-1	0	380.429	3.360	1	0		GGAFRM
CCCCCCOC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000028476983	207342184	/nfs/dbraw/zinc/34/21/84/207342184.db2.gz	UXHWFRAQZQUKJS-YZNBAQPLSA-N	-1	0	398.540	3.060	1	0		GGAFRM
O=c1[nH]c2ccccc2c(Cc2ccccc2)c1[N-]S(=O)(=O)C(F)(F)F	ZINC000029391713	207360473	/nfs/dbraw/zinc/36/04/73/207360473.db2.gz	IILDUBCJUYNQNN-UHFFFAOYSA-N	-1	0	382.363	3.380	1	0		GGAFRM
COc1cc(N(C)C)ccc1[C@@H]1CC(c2c([O-])cc(C)oc2=O)=NCCS1	ZINC000028899073	207351767	/nfs/dbraw/zinc/35/17/67/207351767.db2.gz	PNGYJGHKOUJCHN-SFHVURJKSA-N	-1	0	388.489	3.396	1	0		GGAFRM
Cc1c(Br)c(=O)oc2c(I)c([O-])ccc12	ZINC000029132587	207354775	/nfs/dbraw/zinc/35/47/75/207354775.db2.gz	MCBAQIXQBQAGFI-UHFFFAOYSA-N	-1	0	380.963	3.174	1	0		GGAFRM
COP(=O)(CN[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[n-]1)OC	ZINC000029336183	207359717	/nfs/dbraw/zinc/35/97/17/207359717.db2.gz	CJISZBQNNLJUGW-KRWDZBQOSA-N	-1	0	387.380	3.184	1	0		GGAFRM
Cc1cc(-c2c(F)cc3c(=O)c(C(=O)[O-])cn4c3c2OCC42CC2)cc(C)n1	ZINC000029415505	207362707	/nfs/dbraw/zinc/36/27/07/207362707.db2.gz	FDJRTOBUZNGNNQ-UHFFFAOYSA-N	-1	0	380.375	3.399	1	0		GGAFRM
CCCC[C@H](OC)[C@H](O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)[O-]	ZINC000029486982	207363350	/nfs/dbraw/zinc/36/33/50/207363350.db2.gz	CTHDNCFMWDFCSN-BDJOLJFBSA-N	-1	0	384.513	3.100	1	0		GGAFRM
Nc1ncc(-c2cncc([N-]S(=O)(=O)c3ccc4ccccc4c3)c2)cn1	ZINC000073169145	208033348	/nfs/dbraw/zinc/03/33/48/208033348.db2.gz	CUIZRUBEOONHNU-UHFFFAOYSA-N	-1	0	377.429	3.075	1	0		GGAFRM
O=C([O-])C[C@H]1CN(Cc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2ccccc21	ZINC000073200142	208034893	/nfs/dbraw/zinc/03/48/93/208034893.db2.gz	AVNPCXVWJBWVNP-ZDUSSCGKSA-N	-1	0	399.390	3.468	1	0		GGAFRM
COc1cc2c(cc1OC)[C@@H](O)C[C@H]([N-]C(=O)C(F)(F)F)c1cc(O)ccc1-2	ZINC000084615020	208092960	/nfs/dbraw/zinc/09/29/60/208092960.db2.gz	OJFQSHMUCHHBPR-GJZGRUSLSA-N	-1	0	397.349	3.233	1	0		GGAFRM
C/C=C(C)/C=C/C(=O)N[C@H](C(=O)O[C@H](C)[C@@H](C)C(=O)[O-])[C@H](C)c1ccccc1	ZINC000084671226	208096774	/nfs/dbraw/zinc/09/67/74/208096774.db2.gz	VVPVXDHEFAYPAR-ZZSCLJTRSA-N	-1	0	387.476	3.450	1	0		GGAFRM
Cc1c(-c2ccc(=O)n(Cc3ccccc3)n2)c2cc(F)ccc2n1CC(=O)[O-]	ZINC000095559360	208232030	/nfs/dbraw/zinc/23/20/30/208232030.db2.gz	URWHPURUWKXBSW-UHFFFAOYSA-N	-1	0	391.402	3.445	1	0		GGAFRM
O=C([O-])[C@H]1CCCN(S(=O)(=O)c2ccccc2-c2ccccc2Cl)C1	ZINC000095555627	208232415	/nfs/dbraw/zinc/23/24/15/208232415.db2.gz	CJJBKJQFJWSFBM-ZDUSSCGKSA-N	-1	0	379.865	3.492	1	0		GGAFRM
O=C([O-])[C@H]1CCCN(S(=O)(=O)c2cccc(-c3ccccc3Cl)c2)C1	ZINC000095556585	208232564	/nfs/dbraw/zinc/23/25/64/208232564.db2.gz	SBFWCFHPBVYIJM-AWEZNQCLSA-N	-1	0	379.865	3.492	1	0		GGAFRM
O=C([O-])[C@H]1CCCN(S(=O)(=O)c2ccc(-c3ccccc3Cl)cc2)C1	ZINC000095552671	208233001	/nfs/dbraw/zinc/23/30/01/208233001.db2.gz	LWZYGSMEBIYHQE-AWEZNQCLSA-N	-1	0	379.865	3.492	1	0		GGAFRM
Cc1nn(Cc2ccccc2S(=O)(=O)c2ccccc2)c(C)c1CC(=O)[O-]	ZINC000096270509	208301255	/nfs/dbraw/zinc/30/12/55/208301255.db2.gz	STAAABGFPYEVCS-UHFFFAOYSA-N	-1	0	384.457	3.008	1	0		GGAFRM
O=C(Nc1ccc(Cl)nc1)c1c([O-])c2cccnc2n(-c2ccccc2)c1=O	ZINC000100013272	208369173	/nfs/dbraw/zinc/36/91/73/208369173.db2.gz	CDRHLZVMNXPKIL-UHFFFAOYSA-N	-1	0	392.802	3.392	1	0		GGAFRM
O=C1NC(=S)NC1=Cc1cc2cc(-c3ccc4c(c3)COC4=O)ccc2o1	ZINC000101464028	208393764	/nfs/dbraw/zinc/39/37/64/208393764.db2.gz	NJEMBJLUIKUGLA-LZYBPNLTSA-N	-1	0	376.393	3.115	1	0		GGAFRM
Nc1nccc2c1C(=O)N(c1ccc([C@H]3CC[C@H](CC(=O)[O-])CC3)cc1)CCO2	ZINC000101693111	208395655	/nfs/dbraw/zinc/39/56/55/208395655.db2.gz	UVRQFGJPJNQVEI-GASCZTMLSA-N	-1	0	395.459	3.452	1	0		GGAFRM
COc1ccc(C=CC2=C(C(=O)[O-])[C@H](c3ccc(OC)cc3)NC(=S)N2)cc1	ZINC000103172269	208417032	/nfs/dbraw/zinc/41/70/32/208417032.db2.gz	UQSXRGKTUXAZOC-LTMNZSFGSA-N	-1	0	396.468	3.275	1	0		GGAFRM
CCC[C@H](CC1(C(=O)N[C@@H]2CCC[C@@H](C(=O)N(C)C)C2)CCCC1)C(=O)[O-]	ZINC000169354502	208731981	/nfs/dbraw/zinc/73/19/81/208731981.db2.gz	DXFWFDIVNNUBBJ-BRWVUGGUSA-N	-1	0	380.529	3.201	1	0		GGAFRM
COc1ccc([C@H](NC(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)[O-])c2ccccc2)cc1	ZINC000013151427	208781710	/nfs/dbraw/zinc/78/17/10/208781710.db2.gz	VXINVOKFVSDVTO-LSNMZSPYSA-N	-1	0	377.440	3.424	1	0		GGAFRM
O=C([O-])c1ccccc1NC(=O)N1CCN(c2ncccc2C(F)(F)F)CC1	ZINC000169349290	136197305	/nfs/dbraw/zinc/19/73/05/136197305.db2.gz	JKCKHRTYNGGMMO-UHFFFAOYSA-N	-1	0	394.353	3.153	1	0		GGAFRM
CC/C=C\C/C=C\C/C=C\C[C@H]1[C@H](O)C[C@H](O)[C@@H]1/C=C/[C@H](O)CCC(=O)[O-]	ZINC000004654947	560199378	/nfs/dbraw/zinc/19/93/78/560199378.db2.gz	XAFFULPVQSAGOV-NVKYLASRSA-N	-1	0	378.509	3.375	1	0	in-vitro	GGAFRM
CC/C=C\C/C=C\C/C=C\C[C@H]1[C@@H](/C=C/[C@H](O)CCC(=O)[O-])[C@@H](O)C[C@@H]1O	ZINC000004654948	560199393	/nfs/dbraw/zinc/19/93/93/560199393.db2.gz	XAFFULPVQSAGOV-ZUJBTEHYSA-N	-1	0	378.509	3.375	1	0	in-vitro	GGAFRM
C[C@@H]([NH2+]C[C@H](O)C[P@](=O)([O-])CC1CCCCC1)c1cccc(C(=O)[O-])c1	ZINC000006037136	560204820	/nfs/dbraw/zinc/20/48/20/560204820.db2.gz	JCFULPDIJOVUHP-KDOFPFPSSA-N	-1	0	383.425	3.247	1	0	in-vitro	GGAFRM
CC/C=C\C[C@H](O)[C@@H](O)/C=C/C=C/C=C\C=C\[C@H](O)C/C=C\CCC(=O)[O-]	ZINC000012495768	571694815	/nfs/dbraw/zinc/69/48/15/571694815.db2.gz	IKFAUGXNBOBQDM-QXRQGPNBSA-N	-1	0	376.493	3.461	1	0	endogenous,in-man	GGAFRM
CN(CCOc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1)c1nc2ccccc2o1	ZINC000003788928	581099483	/nfs/dbraw/zinc/09/94/83/581099483.db2.gz	ZYKPNHFCNSVFNF-QGZVFWFLSA-N	-1	0	397.456	3.237	1	0	in-vivo	GGAFRM
CCCc1c(COc2ccc(CCc3nn[n-]n3)cc2)ccc(C(C)=O)c1O	ZINC000005844327	1449051973	/nfs/dbraw/zinc/05/19/73/1449051973.db2.gz	HEPNHAYVEMEOKU-UHFFFAOYSA-N	-1	0	380.448	3.425	1	0		GGAFRM
Cc1cc2nc(Cn3nc(CC(=O)[O-])c4ccccc4c3=O)sc2c(C)c1	ZINC000013860783	210096569	/nfs/dbraw/zinc/09/65/69/210096569.db2.gz	VIVAMPKHBWEYAK-UHFFFAOYSA-N	-1	0	379.441	3.298	1	0		GGAFRM
O=C([O-])c1ccc2c(c1)[C@H](SCCN1CCOCC1)c1ccccc1CO2	ZINC000013861353	210096305	/nfs/dbraw/zinc/09/63/05/210096305.db2.gz	GMXHQPNVKQTICR-HXUWFJFHSA-N	-1	0	385.485	3.432	1	0		GGAFRM
CCCc1[nH]nc(C(=O)[O-])c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1	ZINC000013833920	210093900	/nfs/dbraw/zinc/09/39/00/210093900.db2.gz	OLOABKFMZDBKIK-UHFFFAOYSA-N	-1	0	388.431	3.498	1	0		GGAFRM
Cc1nc2ccccc2c(-c2ccccc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-]	ZINC000013824743	210093698	/nfs/dbraw/zinc/09/36/98/210093698.db2.gz	IAIQZRIQFGXCEB-SJORKVTESA-N	-1	0	381.428	3.176	1	0		GGAFRM
O=C([O-])[C@H](CCCCn1cnc2c1NC=NC[C@@H]2O)Cc1ccc(Cl)cc1	ZINC000013807322	210092029	/nfs/dbraw/zinc/09/20/29/210092029.db2.gz	OMOZKOPPDRRUQY-ZBFHGGJFSA-N	-1	0	390.871	3.138	1	0		GGAFRM
COc1c(Br)c2c(c(O)c1C/C=C(\C)CCC(=O)[O-])C(=O)OC2	ZINC000013759736	210087894	/nfs/dbraw/zinc/08/78/94/210087894.db2.gz	HDTARZBAAGTXFM-FPYGCLRLSA-N	-1	0	385.210	3.187	1	0		GGAFRM
COC(=O)c1[n-]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1OC	ZINC000013680304	210077837	/nfs/dbraw/zinc/07/78/37/210077837.db2.gz	DDJKHMDMPYNIAY-UHFFFAOYSA-N	-1	0	379.821	3.449	1	0		GGAFRM
CCO[C@@H]1OC(C(=O)[O-])=C[C@H](c2ccc(Br)cc2)[C@H]1CCCO	ZINC000013634718	210074537	/nfs/dbraw/zinc/07/45/37/210074537.db2.gz	ICEKADMOAKWFMP-CKEIUWERSA-N	-1	0	385.254	3.283	3	0		GGAFRM
Cc1c(CC(N)=O)c2c(cccc2OCC(=O)[O-])n1Cc1cccc(Cl)c1	ZINC000013605121	210072729	/nfs/dbraw/zinc/07/27/29/210072729.db2.gz	PNZOOFZIQPTKTG-UHFFFAOYSA-N	-1	0	386.835	3.143	1	0		GGAFRM
O=C([O-])C[C@H]1C(=O)N(Cc2ccc(C(F)(F)F)cc2)C(=O)c2ccccc21	ZINC000013601293	210070785	/nfs/dbraw/zinc/07/07/85/210070785.db2.gz	QEISRRCLFIVFMK-OAHLLOKOSA-N	-1	0	377.318	3.446	1	0		GGAFRM
CC(C)(C)c1cc(/C=C2\CCN(CC(=O)[O-])S2(=O)=O)cc(C(C)(C)C)c1O	ZINC000013558277	210066322	/nfs/dbraw/zinc/06/63/22/210066322.db2.gz	HMWUDWRDSPALGF-NTEUORMPSA-N	-1	0	395.521	3.448	1	0		GGAFRM
O=C([O-])Cc1nn(Cc2cc(-c3ccccc3)ns2)c(=O)c2ccccc12	ZINC000013449082	210061911	/nfs/dbraw/zinc/06/19/11/210061911.db2.gz	RQSXAKYHCNGAIH-UHFFFAOYSA-N	-1	0	377.425	3.195	1	0		GGAFRM
O=C([O-])Cc1nn(Cc2csnc2-c2ccccc2)c(=O)c2ccccc12	ZINC000013449079	210060767	/nfs/dbraw/zinc/06/07/67/210060767.db2.gz	DKLAMAQHLQNIHP-UHFFFAOYSA-N	-1	0	377.425	3.195	1	0		GGAFRM
CCO[C@@H]1OC(C(=O)[O-])=C[C@H](c2cn(C(C)=O)c3ccccc23)[C@H]1CCCO	ZINC000013118552	210050986	/nfs/dbraw/zinc/05/09/86/210050986.db2.gz	RTKBABQJPCRCTI-VWKPWSFCSA-N	-1	0	387.432	3.135	3	0		GGAFRM
COC(=O)C1=C(C)N(CCCC(=O)[O-])C(=O)N[C@H]1c1cccc2ccccc21	ZINC000013125873	210051057	/nfs/dbraw/zinc/05/10/57/210051057.db2.gz	FLWCJMBINCLEJX-IBGZPJMESA-N	-1	0	382.416	3.218	3	0		GGAFRM
CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(O)c(C(=O)[O-])c3)cc21	ZINC000004001826	209458887	/nfs/dbraw/zinc/45/88/87/209458887.db2.gz	ZMGVJMAJHOSXOG-UHFFFAOYSA-N	-1	0	389.385	3.148	3	0		GGAFRM
O=C([O-])[C@@H]1Cc2cccc(c2)OC/C=C\COc2ccc(Cl)c(c2)C(=O)N1	ZINC000169313213	211634939	/nfs/dbraw/zinc/63/49/39/211634939.db2.gz	PRQVABJPYZFCOM-LPQSXRFUSA-N	-1	0	387.819	3.093	1	0		GGAFRM
O=c1oc2ccccc2c([O-])c1C1=NN[C@@H](c2c[nH]nc2-c2ccccc2O)C1	ZINC000103288278	211428618	/nfs/dbraw/zinc/42/86/18/211428618.db2.gz	ZYAWPNAOCUGVEP-CQSZACIVSA-N	-1	0	388.383	3.033	1	0		GGAFRM
COCn1c2ccc(SC)cc2c([O-])c(C(=O)N(C)c2ccccc2)c1=O	ZINC000100992966	211393744	/nfs/dbraw/zinc/39/37/44/211393744.db2.gz	HPHZWQSREYBOAQ-UHFFFAOYSA-N	-1	0	384.457	3.310	1	0		GGAFRM
CCCCc1c([O-])c2cccnc2n(-c2cc(OC)c(OC)c(OC)c2)c1=O	ZINC000100818783	211392604	/nfs/dbraw/zinc/39/26/04/211392604.db2.gz	SGVDSGYYJJSBGQ-UHFFFAOYSA-N	-1	0	384.432	3.460	1	0		GGAFRM
O=C(Nc1ccc(-n2ccnc2)cc1)C1=C([O-])[C@H](CC2CCCCC2)CNC1=O	ZINC000100076023	211381280	/nfs/dbraw/zinc/38/12/80/211381280.db2.gz	AJDIONUYJCATIG-MRXNPFEDSA-N	-1	0	394.475	3.339	1	0		GGAFRM
Cc1ccc(F)cc1NC(=O)c1cc(=O)c2cccc(NS(C)(=O)=O)c2[n-]1	ZINC000095591956	211280440	/nfs/dbraw/zinc/28/04/40/211280440.db2.gz	CIFOAITVGYCRLA-UHFFFAOYSA-N	-1	0	389.408	3.012	1	0		GGAFRM
Cc1cc(F)ccc1NC(=O)c1cc(=O)c2cccc(NS(C)(=O)=O)c2[n-]1	ZINC000095588012	211279881	/nfs/dbraw/zinc/27/98/81/211279881.db2.gz	ZTKJDTUFILTDQB-UHFFFAOYSA-N	-1	0	389.408	3.012	1	0		GGAFRM
CCC[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)[N-]S(C)(=O)=O	ZINC000095576674	211279064	/nfs/dbraw/zinc/27/90/64/211279064.db2.gz	PSOLULMELWKRFF-NSHDSACASA-N	-1	0	378.928	3.286	1	0		GGAFRM
Cn1cc(-c2ccc(Cn3cc(C(=O)[O-])c(=O)c4c(F)cccc43)c(F)c2)cn1	ZINC000084668955	211172839	/nfs/dbraw/zinc/17/28/39/211172839.db2.gz	IXQWDPOYUPQACG-UHFFFAOYSA-N	-1	0	395.365	3.427	1	0		GGAFRM
COc1cc2c(cc1OC)C(=O)C[C@H]([N-]C(=O)C(F)(F)F)c1cc(O)ccc1-2	ZINC000084615000	211170479	/nfs/dbraw/zinc/17/04/79/211170479.db2.gz	IPTWJNDTHYBOBW-AWEZNQCLSA-N	-1	0	395.333	3.382	1	0		GGAFRM
CCC(CC)NC(=O)c1cnn(C(C)C)c1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000073168887	211125906	/nfs/dbraw/zinc/12/59/06/211125906.db2.gz	RRTBFOFYBPHDKZ-UHFFFAOYSA-N	-1	0	392.525	3.492	1	0		GGAFRM
CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc2cc(C(=O)[O-])n(O)c2c1	ZINC000073166121	211125485	/nfs/dbraw/zinc/12/54/85/211125485.db2.gz	PMQBCZJQLOSBCK-UHFFFAOYSA-N	-1	0	380.809	3.055	1	0		GGAFRM
Nc1ccc(C(=O)n2c3ccccc3nc2-c2ccc(S(=O)(=O)[O-])cc2)cc1	ZINC000066251421	211002826	/nfs/dbraw/zinc/00/28/26/211002826.db2.gz	VQTSNNJWUHUXDO-UHFFFAOYSA-N	-1	0	393.424	3.221	1	0		GGAFRM
COc1ccc(C(=O)Nc2cc(I)ccc2C(=O)[O-])cc1	ZINC000066113640	211001610	/nfs/dbraw/zinc/00/16/10/211001610.db2.gz	SCTZWHVCPYVIGW-UHFFFAOYSA-N	-1	0	397.168	3.250	1	0		GGAFRM
O=C([O-])c1cn(Cc2ccc(-c3ccc(F)nc3)cc2)c2c(c1=O)[C@H](O)CCC2	ZINC000049111023	210861587	/nfs/dbraw/zinc/86/15/87/210861587.db2.gz	UENBBHVUHMYMKM-GOSISDBHSA-N	-1	0	394.402	3.166	1	0		GGAFRM
CC(C)c1cc([S@@](=O)c2c(Cl)cc(CC(=O)[O-])cc2Cl)n[nH]c1=O	ZINC000034842581	210668118	/nfs/dbraw/zinc/66/81/18/210668118.db2.gz	YNXHQQAZZSIQKZ-DEOSSOPVSA-N	-1	0	389.260	3.406	1	0		GGAFRM
C[S@](=O)C[C@@H]1[C@@H](O)[C@]23CC[C@H]1C[C@H]2[C@]1(C)CCC[C@](C)(C(=O)[O-])[C@H]1CC3	ZINC000028875674	210536763	/nfs/dbraw/zinc/53/67/63/210536763.db2.gz	RSTMEZAVUUMLEO-DALYSIRASA-N	-1	0	382.566	3.449	1	0		GGAFRM
CN1C(C(=O)Nc2ccccc2)=C([O-])c2ccc3ccccc3c2S1(=O)=O	ZINC000028092280	210520482	/nfs/dbraw/zinc/52/04/82/210520482.db2.gz	TUWAWCDXMBTLEJ-UHFFFAOYSA-N	-1	0	380.425	3.339	1	0		GGAFRM
O=C([O-])Cc1ccc2c(c1)C[C@@H](CNS(=O)(=O)c1ccc3ccccc3c1)C2	ZINC000027329307	210512466	/nfs/dbraw/zinc/51/24/66/210512466.db2.gz	AUGFRAXHMKPAMH-INIZCTEOSA-N	-1	0	395.480	3.160	1	0		GGAFRM
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(CSc3ccc4ccccc4c3)[C@H](C)[C@H]12	ZINC000026494836	210498928	/nfs/dbraw/zinc/49/89/28/210498928.db2.gz	FSFMDTUGJXYOQY-PCHOHSICSA-N	-1	0	383.469	3.128	1	0		GGAFRM
Cc1cnc(-c2cc(N3CCn4cc(C(=O)[O-])nc4C3)ncc2Cl)c(C)c1	ZINC000146388250	136193108	/nfs/dbraw/zinc/19/31/08/136193108.db2.gz	UBAMJGOJLMKNRJ-UHFFFAOYSA-N	-1	0	383.839	3.329	1	0		GGAFRM
CCOC(=O)Cc1cc(=O)n2[n-]c(COC)c(-c3ccc(Cl)cc3)c2n1	ZINC000009261040	570553853	/nfs/dbraw/zinc/55/38/53/570553853.db2.gz	DIKRZLKCXAHRDI-UHFFFAOYSA-N	-1	0	375.812	3.007	1	0		GGAFRM
CCO[C@H](Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(=O)[O-]	ZINC000000839219	581098304	/nfs/dbraw/zinc/09/83/04/581098304.db2.gz	FJENKDXEWRLENI-LJQANCHMSA-N	-1	0	384.432	3.375	1	0	in-vivo	GGAFRM
O=S(=O)([N-]c1ccc2nc(-c3cccc(F)c3)nn2c1)c1ccccc1F	ZINC000082082041	1410026579	/nfs/dbraw/zinc/02/65/79/1410026579.db2.gz	JDDRCQHIMSMTKU-UHFFFAOYSA-N	-1	0	386.383	3.475	1	0		GGAFRM
COc1cccc(OC)c1C(=O)[N-]n1c(=O)c2ccccc2nc1C1CCC1	ZINC000001364999	212238190	/nfs/dbraw/zinc/23/81/90/212238190.db2.gz	QDSQUCRGTZVSJM-UHFFFAOYSA-N	-1	0	379.416	3.065	3	0		GGAFRM
Cc1cc(Cl)nnc1[N-]S(=O)(=O)c1cccc2c1cccc2N(C)C	ZINC000000592398	212164185	/nfs/dbraw/zinc/16/41/85/212164185.db2.gz	WTGLGALNVFXVHG-UHFFFAOYSA-N	-1	0	376.869	3.458	1	0		GGAFRM
COc1nc(Cl)cnc1[N-]S(=O)(=O)c1cccc2c1cccc2N(C)C	ZINC000000601988	212142975	/nfs/dbraw/zinc/14/29/75/212142975.db2.gz	ZEICTPGVQAZONR-UHFFFAOYSA-N	-1	0	392.868	3.159	1	0		GGAFRM
O=C([O-])c1cccc(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2)c1	ZINC000004746114	220760022	/nfs/dbraw/zinc/76/00/22/220760022.db2.gz	RBXLHQMTNGJYIQ-UHFFFAOYSA-N	-1	0	381.409	3.470	3	0		GGAFRM
CCOC(=O)C1=C(C)N(CCCC(=O)[O-])C(=O)N[C@H]1c1ccccc1Cl	ZINC000007551083	221000954	/nfs/dbraw/zinc/00/09/54/221000954.db2.gz	BEMRHQHTHBAQEZ-INIZCTEOSA-N	-1	0	380.828	3.108	3	0		GGAFRM
COc1cc2c(cc1OC)[C@H](C(=O)[O-])[C@H](c1cn(C)c3ccccc13)N(C)C2=O	ZINC000008659921	221048797	/nfs/dbraw/zinc/04/87/97/221048797.db2.gz	GNMFGIQXFQNRBA-PMACEKPBSA-N	-1	0	394.427	3.191	1	0		GGAFRM
COc1cc2nc(Cl)nc(Nc3ccc(S(=O)(=O)[O-])cc3)c2cc1OC	ZINC000011756581	221124755	/nfs/dbraw/zinc/12/47/55/221124755.db2.gz	MCQXWAMDONSPKZ-UHFFFAOYSA-N	-1	0	395.824	3.291	1	0		GGAFRM
COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@]2(C)CCCO2)C(=O)[O-])cc1	ZINC000013442232	221268435	/nfs/dbraw/zinc/26/84/35/221268435.db2.gz	BYRKTALPFLWGRH-AVRDEDQJSA-N	-1	0	383.444	3.043	1	0		GGAFRM
COC(=O)c1ccc(C(=O)c2ccc3c(c2[O-])C(=O)c2c(O)cccc2C3)cc1	ZINC000013490533	221270058	/nfs/dbraw/zinc/27/00/58/221270058.db2.gz	XCJIWWFRCQOJJD-UHFFFAOYSA-N	-1	0	388.375	3.251	1	0		GGAFRM
CC(C)N1C(=O)CN(Cc2c(C(=O)[O-])[nH]c3cc(Cl)cc(Cl)c32)C1=O	ZINC000013492833	221270508	/nfs/dbraw/zinc/27/05/08/221270508.db2.gz	KRZZBQZXBOVMQQ-UHFFFAOYSA-N	-1	0	384.219	3.346	1	0		GGAFRM
O=C([O-])CC[C@@H]1C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(=O)c2cccn21	ZINC000013781427	221288197	/nfs/dbraw/zinc/28/81/97/221288197.db2.gz	IDKAQALCVMXVGC-CQSZACIVSA-N	-1	0	381.215	3.383	1	0		GGAFRM
CCn1nc(C)c(C(=O)[O-])c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1	ZINC000013760989	221288486	/nfs/dbraw/zinc/28/84/86/221288486.db2.gz	YYSAJXTWKLVDNO-UHFFFAOYSA-N	-1	0	388.431	3.348	1	0		GGAFRM
O=C([O-])CCCCCC[C@@H]1[C@@H](CC[C@@H](O)CNc2ccccc2)[C@H](O)C[C@@H]1O	ZINC000013805709	221289432	/nfs/dbraw/zinc/28/94/32/221289432.db2.gz	LVILSLBAZNNJIT-SSSFQFABSA-N	-1	0	393.524	3.023	1	0		GGAFRM
Cc1noc([N-]S(=O)(=O)c2cccc3c2cccc3N2CCCC2=O)c1C	ZINC000013741052	221286653	/nfs/dbraw/zinc/28/66/53/221286653.db2.gz	CADOLIAMGUQADS-UHFFFAOYSA-N	-1	0	385.445	3.372	1	0		GGAFRM
O=C([O-])Cc1nn(Cc2nc3ccc(Cl)cc3s2)c(=O)c2ccccc12	ZINC000013860753	221291583	/nfs/dbraw/zinc/29/15/83/221291583.db2.gz	NQSRQLZRICOORI-UHFFFAOYSA-N	-1	0	385.832	3.335	1	0		GGAFRM
O=C([O-])Cc1nn(CSc2nc3ccccc3s2)c(=O)c2ccccc12	ZINC000013860809	221291724	/nfs/dbraw/zinc/29/17/24/221291724.db2.gz	GELCCPBUXPMSIJ-UHFFFAOYSA-N	-1	0	383.454	3.383	1	0		GGAFRM
O=C([O-])Cc1nn(Cc2nc3ccccc3s2)c(=O)c2cc(Cl)ccc12	ZINC000013860789	221292132	/nfs/dbraw/zinc/29/21/32/221292132.db2.gz	DHIKLUATISJUTM-UHFFFAOYSA-N	-1	0	385.832	3.335	1	0		GGAFRM
O=C([O-])C[C@H]1CC(CNC(=O)CCNc2ccccn2)=CCc2ccccc21	ZINC000013819492	221290797	/nfs/dbraw/zinc/29/07/97/221290797.db2.gz	QTQQUVKCPJYESZ-GOSISDBHSA-N	-1	0	379.460	3.131	1	0		GGAFRM
O=C([O-])c1cc(NC2=C(c3ccccc3Cl)C(=O)NC2=O)ccc1Cl	ZINC000014946023	221319224	/nfs/dbraw/zinc/31/92/24/221319224.db2.gz	NXCIXCPIWIDEJO-UHFFFAOYSA-N	-1	0	377.183	3.171	1	0		GGAFRM
O=C([O-])c1cc(NC2=C(c3ccc(Cl)cc3)C(=O)NC2=O)ccc1Cl	ZINC000014946026	221319521	/nfs/dbraw/zinc/31/95/21/221319521.db2.gz	ACBZAFIQJQQSBY-UHFFFAOYSA-N	-1	0	377.183	3.171	1	0		GGAFRM
O=S1(=O)C=C([O-])c2cc(Br)ccc2N1Cc1ccccc1F	ZINC000061943366	136156064	/nfs/dbraw/zinc/15/60/64/136156064.db2.gz	NMYWTUNWHKGUFZ-UHFFFAOYSA-N	-1	0	384.226	3.121	3	0		GGAFRM
Nc1ncnc2c1C(=O)N(c1ccc([C@H]3CC[C@H](CC(=O)[O-])CC3)cc1)CC2	ZINC000101469154	136189818	/nfs/dbraw/zinc/18/98/18/136189818.db2.gz	DVHSQIPHRVBFFO-OKILXGFUSA-N	-1	0	380.448	3.010	1	0		GGAFRM
CC[C@]1(C)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc(C(=O)[O-])cc1	ZINC000026488130	221641228	/nfs/dbraw/zinc/64/12/28/221641228.db2.gz	DZHKGYPDWJRPGC-TZIWHRDSSA-N	-1	0	382.416	3.258	1	0		GGAFRM
CCOc1cc(CCNC(=O)c2cc(Cl)ccc2OC)ccc1C(=O)[O-]	ZINC000027563322	221655499	/nfs/dbraw/zinc/65/54/99/221655499.db2.gz	GBGFOIKOHRMVQA-UHFFFAOYSA-N	-1	0	377.824	3.418	1	0		GGAFRM
O=C([O-])[C@H]1Cc2ccccc2C[C@@H]1S(=O)(=O)c1ccc(Br)cc1	ZINC000028330641	221675931	/nfs/dbraw/zinc/67/59/31/221675931.db2.gz	HALKBQWLGHJJBL-HOTGVXAUSA-N	-1	0	395.274	3.091	1	0		GGAFRM
O=C([O-])c1ccccc1NC(=O)N1CCN(c2c(Cl)cncc2Cl)CC1	ZINC000028969606	221686822	/nfs/dbraw/zinc/68/68/22/221686822.db2.gz	FJTJOZZGBJSIHY-UHFFFAOYSA-N	-1	0	395.246	3.441	1	0		GGAFRM
C[S@@](=O)C[C@@H]1[C@@H](O)[C@]23CC[C@H]1C[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)[O-])[C@H]1CC3	ZINC000034849712	221807298	/nfs/dbraw/zinc/80/72/98/221807298.db2.gz	RSTMEZAVUUMLEO-ZENNXOBISA-N	-1	0	382.566	3.449	1	0		GGAFRM
CC(C)CN(CC(C)C)C(=O)C1=NO[C@@H](C([O-])(C(F)(F)F)C(F)(F)F)C1	ZINC000036184804	221846285	/nfs/dbraw/zinc/84/62/85/221846285.db2.gz	UNOCSFJUHMZNAU-LLVKDONJSA-N	-1	0	392.340	3.128	1	0		GGAFRM
Nc1cc2ccc1Oc1cc(cc(Br)c1[O-])CCNC(=O)CC2	ZINC000036472799	221859191	/nfs/dbraw/zinc/85/91/91/221859191.db2.gz	FRZBSKDYTIMNOE-UHFFFAOYSA-N	-1	0	377.238	3.134	1	0		GGAFRM
C/C(=C\Cc1cc(C(=O)[O-])ccc1O)CC[C@@H](O)[C@]1(C)CC[C@H](C(C)(C)O)O1	ZINC000038967107	221886957	/nfs/dbraw/zinc/88/69/57/221886957.db2.gz	UEDBFLUWLOXTGA-TUUPDKKASA-N	-1	0	392.492	3.429	1	0		GGAFRM
Cc1c([C@@H]2NS(=O)(=O)c3ccccc32)c2cc(Cl)ccc2n1CC(=O)[O-]	ZINC000049035513	221995792	/nfs/dbraw/zinc/99/57/92/221995792.db2.gz	MQFYWGYSTUZJSG-GOSISDBHSA-N	-1	0	390.848	3.069	1	0		GGAFRM
COc1cc2c(cc1OC)C(=O)N1C=C(c3cccc(C(=O)[O-])c3)C[C@H]1C=N2	ZINC000049808087	222002291	/nfs/dbraw/zinc/00/22/91/222002291.db2.gz	JEZVTPABEJAHRG-HNNXBMFYSA-N	-1	0	378.384	3.374	1	0		GGAFRM
CCC[C@H](CC1(C(=O)N[C@H]2CCC[C@@H](C(=O)N(C)C)C2)CCCC1)C(=O)[O-]	ZINC000058562937	222055019	/nfs/dbraw/zinc/05/50/19/222055019.db2.gz	DXFWFDIVNNUBBJ-ZACQAIPSSA-N	-1	0	380.529	3.201	1	0		GGAFRM
O=C(/C=C/c1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000060489361	222058967	/nfs/dbraw/zinc/05/89/67/222058967.db2.gz	WRCDKJRSZCLYDU-XCVCLJGOSA-N	-1	0	384.226	3.107	1	0		GGAFRM
Cn1c(=O)cc2[n-]n(-c3ccccc3Cl)c(=O)c2c1COc1ccc(F)cc1	ZINC000064447721	222071323	/nfs/dbraw/zinc/07/13/23/222071323.db2.gz	NKBUBPMUSCKSEJ-UHFFFAOYSA-N	-1	0	399.809	3.389	1	0		GGAFRM
CC(C)c1c(=O)n([O-])c(=O)n(COCc2ccccc2)c1Cc1ccccc1	ZINC000066066048	222136592	/nfs/dbraw/zinc/13/65/92/222136592.db2.gz	RZDOVUKLYABCAV-UHFFFAOYSA-N	-1	0	380.444	3.136	1	0		GGAFRM
CC(C)c1c(=O)n([O-])c(=O)n(COCc2ccccc2)c1Cc1ccc(F)cc1	ZINC000066101171	222138155	/nfs/dbraw/zinc/13/81/55/222138155.db2.gz	MCCBYLCFYIOQSC-UHFFFAOYSA-N	-1	0	398.434	3.275	1	0		GGAFRM
CC(=O)N[C@H](CSCC1=CC=C2C=Cc3cccc4c3[C@@H]2C1=CC4)C(=O)[O-]	ZINC000071332182	222181367	/nfs/dbraw/zinc/18/13/67/222181367.db2.gz	YSISPQXLVACETJ-CTNGQTDRSA-N	-1	0	379.481	3.468	1	0		GGAFRM
CN(c1ccc(-c2cc(F)ccc2OCC(=O)[O-])c(Cl)c1)S(C)(=O)=O	ZINC000071331818	222182338	/nfs/dbraw/zinc/18/23/38/222182338.db2.gz	WBTRGYNCKRJCSO-UHFFFAOYSA-N	-1	0	387.816	3.005	1	0		GGAFRM
O=C([O-])COc1cc(OCc2ccccc2)ccc1C=C1SC(=O)NC1=O	ZINC000072109265	222205822	/nfs/dbraw/zinc/20/58/22/222205822.db2.gz	HJWVWLYWCSVNKP-PXNMLYILSA-N	-1	0	385.397	3.053	1	0		GGAFRM
Nc1cc(Cn2c3ccc(Cl)cc3c(-c3ccc[nH]c3=O)c2C(=O)[O-])ccn1	ZINC000072177690	222216560	/nfs/dbraw/zinc/21/65/60/222216560.db2.gz	XPHRQEMVNFKEIN-UHFFFAOYSA-N	-1	0	394.818	3.374	1	0	in-vitro	GGAFRM
Cc1c(C)n(C)c2c1cccc2Cn1c2ccccc2n(CCC(=O)[O-])c1=O	ZINC000072176683	222217259	/nfs/dbraw/zinc/21/72/59/222217259.db2.gz	BPDSRNQUOWYMRI-UHFFFAOYSA-N	-1	0	377.444	3.435	1	0		GGAFRM
COc1ccc(F)c(C(=O)c2ncc(C(=O)[O-])c3cc(OC)c(OC)cc23)c1	ZINC000072318100	222225927	/nfs/dbraw/zinc/22/59/27/222225927.db2.gz	QZLGWUVXUHSDDH-UHFFFAOYSA-N	-1	0	385.347	3.329	1	0		GGAFRM
COc1cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc2c(OC)c1[O-]	ZINC000073168169	222268171	/nfs/dbraw/zinc/26/81/71/222268171.db2.gz	ONLDUIPYYHAFQU-UHFFFAOYSA-N	-1	0	388.372	3.209	1	0		GGAFRM
CN(c1ccccc1Cl)S(=O)(=O)c1ccc2cc(C(=O)[O-])n(O)c2c1	ZINC000073169430	222268179	/nfs/dbraw/zinc/26/81/79/222268179.db2.gz	GFLNDMXVTYBORE-UHFFFAOYSA-N	-1	0	380.809	3.055	1	0		GGAFRM
O=C([O-])/C=C1\CN(Cc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2ccccc21	ZINC000082157038	222310460	/nfs/dbraw/zinc/31/04/60/222310460.db2.gz	ZWBWKYODEICDBB-UKTHLTGXSA-N	-1	0	397.374	3.378	1	0		GGAFRM
COc1ccc(C(C)=O)cc1CSc1nc2cc(C=O)ccc2n1CC(=O)[O-]	ZINC000084669549	222319684	/nfs/dbraw/zinc/31/96/84/222319684.db2.gz	YVVRSTULGBBSJT-UHFFFAOYSA-N	-1	0	398.440	3.437	1	0		GGAFRM
O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3ccccc3Cl)cc2)C1	ZINC000095552672	222355381	/nfs/dbraw/zinc/35/53/81/222355381.db2.gz	LWZYGSMEBIYHQE-CQSZACIVSA-N	-1	0	379.865	3.492	1	0		GGAFRM
CC(C)[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)[N-]S(C)(=O)=O	ZINC000095572544	222356200	/nfs/dbraw/zinc/35/62/00/222356200.db2.gz	YKKXAJDQMUZDKP-NSHDSACASA-N	-1	0	378.928	3.142	1	0		GGAFRM
O=c1[nH]c2ccccc2nc1-c1ccccc1[N-]S(=O)(=O)c1cccs1	ZINC000095563505	222356366	/nfs/dbraw/zinc/35/63/66/222356366.db2.gz	RPTVUYJCVYZVKE-UHFFFAOYSA-N	-1	0	383.454	3.452	1	0		GGAFRM
O=C([O-])[C@@H]1Cc2ccc(cc2)OCCCCOc2cccc(Cl)c2C(=O)N1	ZINC000103258319	222494793	/nfs/dbraw/zinc/49/47/93/222494793.db2.gz	QJFRIWWRGGAVHB-INIZCTEOSA-N	-1	0	389.835	3.317	1	0		GGAFRM
O=C([O-])[C@@H]1Cc2ccc(cc2)OC/C=C\COc2cccc(Cl)c2C(=O)N1	ZINC000169313220	222533651	/nfs/dbraw/zinc/53/36/51/222533651.db2.gz	BAWJRRUGVCVUHL-AIMAZDRCSA-N	-1	0	387.819	3.093	1	0		GGAFRM
COc1cc(-c2cc(-c3ccc(OCC(=O)[O-])cc3)on2)cc(OC)c1OC	ZINC000169342540	222535952	/nfs/dbraw/zinc/53/59/52/222535952.db2.gz	GJPVHMVKDSZRDF-UHFFFAOYSA-N	-1	0	385.372	3.498	1	0		GGAFRM
CC/C=C\C/C=C\C[C@H]1[C@@H](/C=C/[C@H](O)C/C=C\CCC(=O)[O-])[C@@H](O)C[C@@H]1O	ZINC000004654952	560199415	/nfs/dbraw/zinc/19/94/15/560199415.db2.gz	HLOKCEDYFAXGRQ-QBRJSEDQSA-N	-1	0	378.509	3.375	1	0	in-vitro	GGAFRM
C[C@H](CSC(=O)c1ccccc1)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	ZINC000028096991	581094839	/nfs/dbraw/zinc/09/48/39/581094839.db2.gz	XPHRQXQATAKGTE-IWCQGFGOSA-N	-1	0	375.490	3.440	1	0		GGAFRM
CC(C)S(=O)(=O)c1c([O-])n(Cc2ccc(F)cc2)c(=O)c2ccccc21	ZINC000036126901	581097825	/nfs/dbraw/zinc/09/78/25/581097825.db2.gz	KHBZYYUMMPHBTC-UHFFFAOYSA-N	-1	0	375.421	3.077	1	0		GGAFRM