smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccccc3[O-])ccc2OC)cc1	ZINC000012799734	524690573	/nfs/dbraw/zinc/69/05/73/524690573.db2.gz	QADIDCBOOSKRSY-UHFFFAOYSA-N	-2	3	428.466	3.463	50	0		IGAAHL
CS(=O)(=O)[N-]c1ccccc1C1=NN(C(=O)CCC(=O)[O-])[C@H](c2ccccc2Cl)C1	ZINC000023115095	525228159	/nfs/dbraw/zinc/22/81/59/525228159.db2.gz	HNMQRTLICZYYEF-SFHVURJKSA-N	-2	3	449.916	3.254	50	0		IGAAHL
CCOC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3cccc(Cl)c3)c(=O)c1-2	ZINC000100741651	556659918	/nfs/dbraw/zinc/65/99/18/556659918.db2.gz	NOZYYINCPMRNJH-RDJZCZTQSA-N	-2	3	432.263	3.291	50	0		IGAAHL
O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)c1ccc(-c2nnn[n-]2)cc1	ZINC000025454927	557210406	/nfs/dbraw/zinc/21/04/06/557210406.db2.gz	UGYQCBNGGAMFCA-UHFFFAOYSA-N	-2	3	438.444	3.059	50	0		IGAAHL
COC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000018190273	557246361	/nfs/dbraw/zinc/24/63/61/557246361.db2.gz	BZVUGXRRLDLHJB-DOTOQJQBSA-N	-2	3	432.263	3.209	50	0		IGAAHL
COc1cc(OC)cc(-n2c(=O)c3[n-][n-]n(-c4ccc(Br)c(C)c4)c=3c2=O)c1	ZINC000101260831	557265414	/nfs/dbraw/zinc/26/54/14/557265414.db2.gz	PGLSGQMDJCCVTH-DLBZAZTESA-N	-2	3	445.273	3.273	50	0		IGAAHL
CCCCn1c([O-])c(C2=NN(C(=O)CC)[C@@H](c3ccc4c(c3)OCO4)C2)c(=O)[n-]c1=S	ZINC000101495588	557289104	/nfs/dbraw/zinc/28/91/04/557289104.db2.gz	RSEKFEBVQRHIJH-CQSZACIVSA-N	-2	3	444.513	3.228	50	0		IGAAHL
Cn1cc([C@H](C(=O)[O-])N2CCN(c3cccc(Cl)c3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036360835	569086662	/nfs/dbraw/zinc/08/66/62/569086662.db2.gz	AQBLDJZVKSVXTH-HXUWFJFHSA-N	-2	3	427.888	3.478	50	0		IGAAHL
COCc1cc(=O)c([O-])c([C@@H](CC(=O)OC)c2ccc(-c3ccc(C(=O)[O-])cc3)o2)o1	ZINC000096114125	569382734	/nfs/dbraw/zinc/38/27/34/569382734.db2.gz	BRFAMYSMDQWQQD-HNNXBMFYSA-N	-2	3	428.393	3.145	50	0		IGAAHL
COc1ccc(/C=C\C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1Br	ZINC000096401537	569400510	/nfs/dbraw/zinc/40/05/10/569400510.db2.gz	ASSCGUHWYIKGLH-CLTKARDFSA-N	-2	3	430.251	3.495	50	0		IGAAHL
CCN1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cc(C)c(C)cc2C)CC1	ZINC000058009413	569444794	/nfs/dbraw/zinc/44/47/94/569444794.db2.gz	LEEDYWZHEGHLIO-UHFFFAOYSA-N	-2	3	431.558	3.253	50	0		IGAAHL
COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1c([O-])nc([O-])n(-c2ccccc2Cl)c1=O	ZINC000008994950	569495538	/nfs/dbraw/zinc/49/55/38/569495538.db2.gz	YBWOHWXRSHFPLV-IBGZPJMESA-N	-2	3	438.871	3.022	50	0		IGAAHL
CCN1CCc2c3ccccc3[nH]c2[C@H]1c1c([O-])nc([O-])n(-c2ccccc2OC)c1=O	ZINC000009041530	569497564	/nfs/dbraw/zinc/49/75/64/569497564.db2.gz	UNAIEYGZQPBWKT-OAQYLSRUSA-N	-2	3	432.480	3.101	50	0		IGAAHL
CCc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)N4CCCC4)c(=O)c3c2)cc1	ZINC000009680102	569560130	/nfs/dbraw/zinc/56/01/30/569560130.db2.gz	ZTSUPYSGMPVPLO-UHFFFAOYSA-N	-2	3	425.510	3.127	50	0		IGAAHL
CCc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)N4CCCC4)c([O-])c3c2)cc1	ZINC000009680102	569560131	/nfs/dbraw/zinc/56/01/31/569560131.db2.gz	ZTSUPYSGMPVPLO-UHFFFAOYSA-N	-2	3	425.510	3.127	50	0		IGAAHL
Cc1ccc([O-])c(N2C(=O)c3ccc(S(=O)(=O)c4ccc(C(=O)[O-])cc4)cc3C2=O)c1	ZINC000006146036	556078284	/nfs/dbraw/zinc/07/82/84/556078284.db2.gz	WXNUNGBWYPSUNY-UHFFFAOYSA-N	-2	3	437.429	3.032	50	0		IGAAHL
CS(=O)(=O)[N-]c1ccccc1C1=NN(C(=O)CCCC(=O)[O-])[C@@H](c2ccccc2F)C1	ZINC000225516866	557734030	/nfs/dbraw/zinc/73/40/30/557734030.db2.gz	KVXUZHUGJVAQSR-LJQANCHMSA-N	-2	3	447.488	3.130	50	0		IGAAHL
O=C(COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)N[C@H](C(=O)[O-])c1ccccc1	ZINC000036584719	569119951	/nfs/dbraw/zinc/11/99/51/569119951.db2.gz	WPHGWZQFWCFHAO-DEOSSOPVSA-N	-2	3	445.427	3.487	50	0		IGAAHL
Cc1c(CC(=O)NC[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c(=O)oc2cc([O-])cc([O-])c12	ZINC000008877909	569481281	/nfs/dbraw/zinc/48/12/81/569481281.db2.gz	VWAVXMJQGMVOMG-CYBMUJFWSA-N	-3	3	445.855	3.083	50	0		IGAAHL
CCN1CCc2c3ccccc3[nH]c2[C@@H]1c1c([O-])nc([O-])n(-c2ccc(OC)cc2)c1=O	ZINC000008995141	569495620	/nfs/dbraw/zinc/49/56/20/569495620.db2.gz	FOOTXBOYLPIIGN-NRFANRHFSA-N	-2	3	432.480	3.101	50	0		IGAAHL
CC[C@@H](C)NC(=O)c1c[n-]c2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2c1=O	ZINC000009680138	569560000	/nfs/dbraw/zinc/56/00/00/569560000.db2.gz	CRZSVVOATJWCKO-OAHLLOKOSA-N	-2	3	427.526	3.474	50	0		IGAAHL
CC[C@@H](C)NC(=O)c1cnc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2c1[O-]	ZINC000009680138	569560001	/nfs/dbraw/zinc/56/00/01/569560001.db2.gz	CRZSVVOATJWCKO-OAHLLOKOSA-N	-2	3	427.526	3.474	50	0		IGAAHL
CC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000012436918	519371020	/nfs/dbraw/zinc/37/10/20/519371020.db2.gz	AFWBWXQHEHEVKX-RDJZCZTQSA-N	-2	3	446.688	3.426	50	0		IGAAHL
CC[C@@H](C)c1c([O-])nc(SCC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2C)[n-]c1=O	ZINC000012863024	522411838	/nfs/dbraw/zinc/41/18/38/522411838.db2.gz	YHQYYWHYCOQUHQ-OLZOCXBDSA-N	-2	3	447.557	3.244	50	0		IGAAHL
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])cc2)cc1	ZINC000001088068	555626975	/nfs/dbraw/zinc/62/69/75/555626975.db2.gz	IHZNEGNAWUEPCJ-OALUTQOASA-N	-2	3	432.498	3.326	50	0		IGAAHL
COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(Cl)cn2C)c1	ZINC000028846943	556462425	/nfs/dbraw/zinc/46/24/25/556462425.db2.gz	NSAHMDSBAPIVGZ-UHFFFAOYSA-N	-2	3	435.889	3.446	50	0		IGAAHL
CCOC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3cccc(Cl)c3)c(=O)c1-2	ZINC000018119369	557238221	/nfs/dbraw/zinc/23/82/21/557238221.db2.gz	NOZYYINCPMRNJH-DOTOQJQBSA-N	-2	3	432.263	3.291	50	0		IGAAHL
COC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000101130534	557261331	/nfs/dbraw/zinc/26/13/31/557261331.db2.gz	SCHNXELDNRZMGQ-RDJZCZTQSA-N	-2	3	432.263	3.209	50	0		IGAAHL
CCOC(=O)c1[n-]n(-c2cccc(C)c2)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000101138699	557261829	/nfs/dbraw/zinc/26/18/29/557261829.db2.gz	ZRHQREHRPPFCNI-MJGOQNOKSA-N	-2	3	425.872	3.254	50	0		IGAAHL
COc1cc(OC)cc(-n2c(=O)c3[n-][n-]n(-c4ccc(Br)c(C)c4)c=3c2=O)c1	ZINC000101260837	557265333	/nfs/dbraw/zinc/26/53/33/557265333.db2.gz	PGLSGQMDJCCVTH-IAGOWNOFSA-N	-2	3	445.273	3.273	50	0		IGAAHL
COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2C(=O)[O-])cc1	ZINC000102760633	557385155	/nfs/dbraw/zinc/38/51/55/557385155.db2.gz	IJYVDSXEAORJEH-FDFHNCONSA-N	-2	3	444.443	3.445	50	0		IGAAHL
CS(=O)(=O)[N-]c1ccccc1C1=NN(C(=O)CCCC(=O)[O-])[C@H](c2ccccc2F)C1	ZINC000225516910	557734024	/nfs/dbraw/zinc/73/40/24/557734024.db2.gz	KVXUZHUGJVAQSR-IBGZPJMESA-N	-2	3	447.488	3.130	50	0		IGAAHL
Cc1ccc(N2CCN([C@H](C(=O)[O-])c3cn(CC(=O)[O-])c4cc(F)ccc34)CC2)c(C)c1	ZINC000036359603	569086435	/nfs/dbraw/zinc/08/64/35/569086435.db2.gz	SMXROLJEUYWCEX-QHCPKHFHSA-N	-2	3	439.487	3.430	50	0		IGAAHL
COCc1cc(=O)c([O-])c([C@@H](CC(=O)OC)c2ccc(-c3cccc(C(=O)[O-])c3)o2)o1	ZINC000096116050	569383532	/nfs/dbraw/zinc/38/35/32/569383532.db2.gz	PJQCYQQRUCQZTA-HNNXBMFYSA-N	-2	3	428.393	3.145	50	0		IGAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)c(C)c1	ZINC000002637008	569413182	/nfs/dbraw/zinc/41/31/82/569413182.db2.gz	SWAZQAHNXYWLIU-UHFFFAOYSA-N	-2	3	446.554	3.312	50	0		IGAAHL
CCCN1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(C)c(C)c2)CC1	ZINC000058009309	569444679	/nfs/dbraw/zinc/44/46/79/569444679.db2.gz	SPNSQXKQYIIGKU-UHFFFAOYSA-N	-2	3	431.558	3.334	50	0		IGAAHL
CCN1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2c(C)cc(C)cc2C)CC1	ZINC000058009354	569444684	/nfs/dbraw/zinc/44/46/84/569444684.db2.gz	BZIXGVNZRPKNLA-UHFFFAOYSA-N	-2	3	431.558	3.253	50	0		IGAAHL
COC(=O)c1[n-]n(-c2ccccc2Cl)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000009157936	569508479	/nfs/dbraw/zinc/50/84/79/569508479.db2.gz	RTAWYOCWMFSMSA-WBVHZDCISA-N	-2	3	432.263	3.209	50	0		IGAAHL
COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1c(=O)[n-]c(=S)n(Cc2ccccc2)c1[O-]	ZINC000009330056	569522947	/nfs/dbraw/zinc/52/29/47/569522947.db2.gz	NHYCTEIMCVWUKB-HXUWFJFHSA-N	-2	3	434.521	3.385	50	0		IGAAHL
O=C(CSc1nc([O-])c(-c2ccccc2)c(=O)[n-]1)Nc1nc(-c2ccccc2)cs1	ZINC000012377022	527011372	/nfs/dbraw/zinc/01/13/72/527011372.db2.gz	CVHJQNXQQGYDBP-UHFFFAOYSA-N	-2	3	436.518	3.278	50	0		IGAAHL
CCOC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000100737718	556659151	/nfs/dbraw/zinc/65/91/51/556659151.db2.gz	SKGVCCIEXDDZRR-DOTOQJQBSA-N	-2	3	432.263	3.291	50	0		IGAAHL
COc1cc2c(cc1OC)[C@@H](c1c(=O)[n-]c(=S)n(-c3ccc(C)cc3C)c1[O-])NCC2	ZINC000017248554	557042467	/nfs/dbraw/zinc/04/24/67/557042467.db2.gz	ZSZHCYFCAATJPE-FQEVSTJZSA-N	-2	3	439.537	3.470	50	0		IGAAHL
Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1	ZINC000024840320	557167994	/nfs/dbraw/zinc/16/79/94/557167994.db2.gz	SMGVMVFFRWRGMI-UHFFFAOYSA-N	-2	3	434.543	3.245	50	0		IGAAHL
CCOC(=O)c1[n-]n(-c2cccc(C)c2)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000101138703	557261822	/nfs/dbraw/zinc/26/18/22/557261822.db2.gz	ZRHQREHRPPFCNI-PKOBYXMFSA-N	-2	3	425.872	3.254	50	0		IGAAHL
COc1ccc(-n2c([O-])c([C@H]3OC(=O)c4c3ccc(OC)c4OC)c(=O)[n-]c2=S)cc1	ZINC000002119082	568742817	/nfs/dbraw/zinc/74/28/17/568742817.db2.gz	KDLXEDNOLRKPFB-INIZCTEOSA-N	-2	3	442.449	3.299	50	0		IGAAHL
C[Si](C)(C)CCCc1c([O-])nc(SCC(=O)c2ccc3c(c2)OCCO3)[n-]c1=O	ZINC000169794801	569108989	/nfs/dbraw/zinc/10/89/89/569108989.db2.gz	UATBBEGQJDDCJN-UHFFFAOYSA-N	-2	3	434.590	3.493	50	0		IGAAHL
CCCN1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(CC)cc2)CC1	ZINC000058009325	569444756	/nfs/dbraw/zinc/44/47/56/569444756.db2.gz	XVCNDIUNHUGRLN-UHFFFAOYSA-N	-2	3	431.558	3.280	50	0		IGAAHL
COc1cccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)NC4CCCC4)c(=O)c3c2)c1	ZINC000009679998	569559877	/nfs/dbraw/zinc/55/98/77/569559877.db2.gz	ZDUQPWFMIPVGMJ-UHFFFAOYSA-N	-2	3	441.509	3.010	50	0		IGAAHL
COc1cccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)NC4CCCC4)c([O-])c3c2)c1	ZINC000009679998	569559878	/nfs/dbraw/zinc/55/98/78/569559878.db2.gz	ZDUQPWFMIPVGMJ-UHFFFAOYSA-N	-2	3	441.509	3.010	50	0		IGAAHL
Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cccc([C@]4(C)NC(=O)[N-]C4=O)c3)s2)cs1	ZINC000089712612	526578408	/nfs/dbraw/zinc/57/84/08/526578408.db2.gz	JTPLYBVTWZJPPL-SFHVURJKSA-N	-2	3	448.551	3.035	50	0		IGAAHL
CC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c([O-])n(-c3ccccc3Cl)c(=O)c1-2	ZINC000100737728	556659202	/nfs/dbraw/zinc/65/92/02/556659202.db2.gz	XHGWIFLAYMIMRZ-WBVHZDCISA-N	-2	3	446.688	3.426	50	0		IGAAHL
COc1cc2c(cc1OC)[C@H](c1c(=O)[n-]c(=S)n(-c3ccccc3C)c1[O-])NCC2	ZINC000020329179	557007956	/nfs/dbraw/zinc/00/79/56/557007956.db2.gz	CLKWLUVZNCDSDN-LJQANCHMSA-N	-2	3	425.510	3.161	50	0		IGAAHL
COc1cc(OC)cc(-n2c(=O)c3[n-][n-]n(-c4ccc(Br)c(C)c4)c=3c2=O)c1	ZINC000101260834	557265468	/nfs/dbraw/zinc/26/54/68/557265468.db2.gz	PGLSGQMDJCCVTH-IRXDYDNUSA-N	-2	3	445.273	3.273	50	0		IGAAHL
COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2C(=O)[O-])cc1	ZINC000102760636	557385297	/nfs/dbraw/zinc/38/52/97/557385297.db2.gz	IJYVDSXEAORJEH-BHIFYINESA-N	-2	3	444.443	3.445	50	0		IGAAHL
Cn1c2ccccc2c([C@@H](C(=O)[O-])N2CCN(Cc3cccc(Cl)c3)CC2)c1C(=O)[O-]	ZINC000036358659	569085203	/nfs/dbraw/zinc/08/52/03/569085203.db2.gz	OUGADKCOGPYJKL-NRFANRHFSA-N	-2	3	441.915	3.473	50	0		IGAAHL
Cn1c2ccccc2c([C@@H](C(=O)[O-])N2CCN(C/C=C/c3ccccc3)CC2)c1C(=O)[O-]	ZINC000036358882	569085378	/nfs/dbraw/zinc/08/53/78/569085378.db2.gz	VHLHNCXINIPFQF-KXOMFBTKSA-N	-2	3	433.508	3.333	50	0		IGAAHL
Cn1c2ccccc2c([C@H](C(=O)[O-])N2CCN(c3cccc(Cl)c3)CC2)c1C(=O)[O-]	ZINC000036360442	569086407	/nfs/dbraw/zinc/08/64/07/569086407.db2.gz	MLRMPMMMLKMQIC-HXUWFJFHSA-N	-2	3	427.888	3.478	50	0		IGAAHL
Cn1cc([C@@H](C(=O)[O-])N2CCN(c3cccc(Cl)c3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036360834	569086708	/nfs/dbraw/zinc/08/67/08/569086708.db2.gz	AQBLDJZVKSVXTH-FQEVSTJZSA-N	-2	3	427.888	3.478	50	0		IGAAHL
O=C([O-])c1cc(N2CCc3ccccc32)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2	ZINC000089865385	569165861	/nfs/dbraw/zinc/16/58/61/569165861.db2.gz	WHDSMHYWZHALFR-UHFFFAOYSA-N	-2	3	449.488	3.374	50	0		IGAAHL
Cc1c([O-])ccc2c(C)c(CC(=O)N[C@H](Cc3ccc(Cl)cc3)C(=O)[O-])c(=O)oc12	ZINC000002104415	569180219	/nfs/dbraw/zinc/18/02/19/569180219.db2.gz	RNXDIDRUUUKFQG-QGZVFWFLSA-N	-2	3	429.856	3.123	50	0		IGAAHL
CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1	ZINC000002207464	569193696	/nfs/dbraw/zinc/19/36/96/569193696.db2.gz	QHOXTLJBLMARAO-UHFFFAOYSA-N	-2	3	439.540	3.143	50	0		IGAAHL
CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2cc(Br)c([O-])c(Br)c2)N1	ZINC000095483514	569374512	/nfs/dbraw/zinc/37/45/12/569374512.db2.gz	NHRKFACGSJMTHA-NSHDSACASA-N	-2	3	446.017	3.390	50	0		IGAAHL
CCCN1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(OCC)cc2)CC1	ZINC000058009329	569444716	/nfs/dbraw/zinc/44/47/16/569444716.db2.gz	DVPHHSXWMWOXQL-UHFFFAOYSA-N	-2	3	447.557	3.116	50	0		IGAAHL
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1	ZINC000001167425	555664757	/nfs/dbraw/zinc/66/47/57/555664757.db2.gz	DOGWIVYHRMRUAD-UHFFFAOYSA-N	-2	3	448.522	3.305	50	0		IGAAHL
COc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cc1	ZINC000002992990	555875468	/nfs/dbraw/zinc/87/54/68/555875468.db2.gz	ZADHJFMTYSKRNM-UHFFFAOYSA-N	-2	3	436.486	3.436	50	0		IGAAHL
CCOC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c([O-])n(-c3cccc(Cl)c3)c(=O)c1-2	ZINC000100740578	557273973	/nfs/dbraw/zinc/27/39/73/557273973.db2.gz	LMTBZMZAEDRZTF-NVXWUHKLSA-N	-2	3	432.263	3.291	50	0		IGAAHL
Cn1cc([C@H](C(=O)[O-])N2CCN(c3ccc(Cl)cc3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036360948	569086658	/nfs/dbraw/zinc/08/66/58/569086658.db2.gz	WYFOGMVJJGXCJQ-HXUWFJFHSA-N	-2	3	427.888	3.478	50	0		IGAAHL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)ccc1N1CCOCC1	ZINC000032962234	556580684	/nfs/dbraw/zinc/58/06/84/556580684.db2.gz	CIEKWCRKDDWXAE-UHFFFAOYSA-N	-2	3	431.297	3.329	50	0		IGAAHL
CC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c([O-])n(-c3cccc(Cl)c3)c(=O)c1-2	ZINC000100740483	556659638	/nfs/dbraw/zinc/65/96/38/556659638.db2.gz	CWNCITDUXXKSFA-RDJZCZTQSA-N	-2	3	446.688	3.426	50	0		IGAAHL
CCOC(=O)c1[n-]n(-c2cccc(C)c2)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000017857652	557126244	/nfs/dbraw/zinc/12/62/44/557126244.db2.gz	ZRHQREHRPPFCNI-HKUYNNGSSA-N	-2	3	425.872	3.254	50	0		IGAAHL
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)N4CCCC4)c(=O)c3c2)c1	ZINC000008595188	562953318	/nfs/dbraw/zinc/95/33/18/562953318.db2.gz	NIFHKEWQIBFBAE-UHFFFAOYSA-N	-2	3	425.510	3.182	50	0		IGAAHL
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3ncc(C(=O)N4CCCC4)c([O-])c3c2)c1	ZINC000008595188	562953320	/nfs/dbraw/zinc/95/33/20/562953320.db2.gz	NIFHKEWQIBFBAE-UHFFFAOYSA-N	-2	3	425.510	3.182	50	0		IGAAHL
O=C([O-])CCn1cc([C@@H](C(=O)[O-])N2CCN(Cc3ccccc3)CC2)c2ccc(F)cc21	ZINC000036357653	569085153	/nfs/dbraw/zinc/08/51/53/569085153.db2.gz	CSXXDYZOLJFLBM-QHCPKHFHSA-N	-2	3	439.487	3.199	50	0		IGAAHL
O=C([O-])Cn1cc([C@@H](C(=O)[O-])N2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc21	ZINC000036359314	569085658	/nfs/dbraw/zinc/08/56/58/569085658.db2.gz	BEJGYGYTCYMHNR-QFIPXVFZSA-N	-2	3	441.915	3.323	50	0		IGAAHL
Cn1cc([C@@H](C(=O)[O-])N2CCN(C/C=C/c3ccccc3)CC2)c2ccc(C(=O)[O-])cc21	ZINC000036359715	569086514	/nfs/dbraw/zinc/08/65/14/569086514.db2.gz	ISBMQVMVDJBUOK-GPVJQRHHSA-N	-2	3	433.508	3.333	50	0		IGAAHL
CCOC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3ccccc3Cl)c(=O)c1-2	ZINC000096247032	569388017	/nfs/dbraw/zinc/38/80/17/569388017.db2.gz	UJFAVKWSGGPLPF-WBVHZDCISA-N	-2	3	432.263	3.291	50	0		IGAAHL
CC[C@H](C)c1c([O-])nc(SCC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2C)[n-]c1=O	ZINC000008918022	569486196	/nfs/dbraw/zinc/48/61/96/569486196.db2.gz	YHQYYWHYCOQUHQ-STQMWFEESA-N	-2	3	447.557	3.244	50	0		IGAAHL
CCc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)N(CC)CC)c(=O)c3c2)cc1	ZINC000009680104	569560072	/nfs/dbraw/zinc/56/00/72/569560072.db2.gz	CMKMZDDFJONIIL-UHFFFAOYSA-N	-2	3	427.526	3.373	50	0		IGAAHL
CCc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)N(CC)CC)c([O-])c3c2)cc1	ZINC000009680104	569560073	/nfs/dbraw/zinc/56/00/73/569560073.db2.gz	CMKMZDDFJONIIL-UHFFFAOYSA-N	-2	3	427.526	3.373	50	0		IGAAHL
CCN(CCN(C)C)c1ncc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1	ZINC000035479693	521045904	/nfs/dbraw/zinc/04/59/04/521045904.db2.gz	DWXMIIPBBDMYSN-UHFFFAOYSA-N	-2	3	434.562	3.092	50	0		IGAAHL
CCSc1nnc([N-]C(=O)c2ccc(S(=O)(=O)[N-]Cc3cccs3)o2)s1	ZINC000035597582	521797204	/nfs/dbraw/zinc/79/72/04/521797204.db2.gz	WMIDODNGBCDWGJ-UHFFFAOYSA-N	-2	3	430.558	3.035	50	0		IGAAHL
CCOC(=O)[C@]([O-])(c1ccc(N(CC)C(=O)c2ccccc2C(=O)[O-])cc1)C(F)(F)F	ZINC000003099825	556520491	/nfs/dbraw/zinc/52/04/91/556520491.db2.gz	XKDGNUFSZVXYDO-HXUWFJFHSA-N	-2	3	439.386	3.365	50	0		IGAAHL
CC(C)c1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)NC4CC4)c(=O)c3c2)cc1	ZINC000006181387	568868021	/nfs/dbraw/zinc/86/80/21/568868021.db2.gz	GVVATZSQVUZLBX-UHFFFAOYSA-N	-2	3	425.510	3.345	50	0		IGAAHL
CC(C)c1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)NC4CC4)c([O-])c3c2)cc1	ZINC000006181387	568868023	/nfs/dbraw/zinc/86/80/23/568868023.db2.gz	GVVATZSQVUZLBX-UHFFFAOYSA-N	-2	3	425.510	3.345	50	0		IGAAHL
CCN1CCN(c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3C)cc2C(=O)[O-])CC1	ZINC000064580600	568934367	/nfs/dbraw/zinc/93/43/67/568934367.db2.gz	CQHCNRMJJZBMGT-UHFFFAOYSA-N	-2	3	437.949	3.289	50	0		IGAAHL
O=C([N-]c1ccc(F)cc1F)c1nnc(C[N-]S(=O)(=O)c2cccc(Cl)c2)s1	ZINC000064991828	569084305	/nfs/dbraw/zinc/08/43/05/569084305.db2.gz	CXFVSWUBVYPDKM-UHFFFAOYSA-N	-2	3	444.872	3.201	50	0		IGAAHL
O=C([O-])CCn1cc([C@H](C(=O)[O-])N2CCSCC2)c2ccc(Br)cc21	ZINC000036360814	569086706	/nfs/dbraw/zinc/08/67/06/569086706.db2.gz	GKEXPCWGDWMBTF-MRXNPFEDSA-N	-2	3	427.320	3.053	50	0		IGAAHL
Cc1ccc([O-])c(S(=O)(=O)[N-]c2cccnc2N2C(=O)O[C@H](C(F)(F)F)[C@@H]2C)c1	ZINC000089624169	569160114	/nfs/dbraw/zinc/16/01/14/569160114.db2.gz	FXMXOIKRCSSHEW-HZMBPMFUSA-N	-2	3	431.392	3.172	50	0		IGAAHL
CCOC(=O)[C@@]([N-]c1ccc(F)c(F)c1)([N-]S(=O)(=O)c1ccccc1)C(F)(F)F	ZINC000002315035	569272324	/nfs/dbraw/zinc/27/23/24/569272324.db2.gz	BISMBIBXJLULPL-MRXNPFEDSA-N	-2	3	438.374	3.177	50	0		IGAAHL
CCOC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c([O-])n(-c3ccccc3Cl)c(=O)c1-2	ZINC000096247027	569388059	/nfs/dbraw/zinc/38/80/59/569388059.db2.gz	AASDWVXDTVGSHB-NVXWUHKLSA-N	-2	3	432.263	3.291	50	0		IGAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1	ZINC000001151166	555656389	/nfs/dbraw/zinc/65/63/89/555656389.db2.gz	JLSRWPYUPRCYRM-UHFFFAOYSA-N	-2	3	436.486	3.436	50	0		IGAAHL
CCOC(=O)[C@H]1CCCN(c2ccc([N-]S(=O)(=O)c3ccccc3C)c(C(=O)[O-])c2)C1	ZINC000033007355	556655944	/nfs/dbraw/zinc/65/59/44/556655944.db2.gz	UALYLIIJXHJAMJ-INIZCTEOSA-N	-2	3	446.525	3.274	50	0		IGAAHL
CC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c([O-])n(-c3ccccc3Cl)c(=O)c1-2	ZINC000100737732	556659095	/nfs/dbraw/zinc/65/90/95/556659095.db2.gz	XHGWIFLAYMIMRZ-RDJZCZTQSA-N	-2	3	446.688	3.426	50	0		IGAAHL
Cc1cc(C)c([N-]S(=O)(=O)c2c(C)cc(C)c(NS(C)(=O)=O)c2C)c(C(=O)[O-])c1	ZINC000058281167	556777291	/nfs/dbraw/zinc/77/72/91/556777291.db2.gz	HVZXNBJGMRRHSP-UHFFFAOYSA-N	-2	3	440.543	3.099	50	0		IGAAHL
COc1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(=O)(=O)c2ccc(OC)cc2)cc1	ZINC000000656350	557129544	/nfs/dbraw/zinc/12/95/44/557129544.db2.gz	XTITXDQUXODDMF-UHFFFAOYSA-N	-2	3	448.522	3.305	50	0		IGAAHL
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])cc2)cc1	ZINC000001088067	557713931	/nfs/dbraw/zinc/71/39/31/557713931.db2.gz	IHZNEGNAWUEPCJ-RTBURBONSA-N	-2	3	432.498	3.326	50	0		IGAAHL
O=C([O-])CCn1cc([C@@H](C(=O)[O-])N2CCN(c3ccc(F)cc3)CC2)c2ccc(F)cc21	ZINC000036358590	569085227	/nfs/dbraw/zinc/08/52/27/569085227.db2.gz	GJBALVYIXNUDQK-QFIPXVFZSA-N	-2	3	443.450	3.342	50	0		IGAAHL
Cc1cc(C(F)(F)F)nn1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl	ZINC000036615071	569122448	/nfs/dbraw/zinc/12/24/48/569122448.db2.gz	TYYOVACTLRGBAH-UHFFFAOYSA-N	-2	3	446.234	3.194	50	0		IGAAHL
CCOC(=O)[C@@]([N-]c1ccccc1OC)([N-]S(=O)(=O)c1ccc(C)cc1)C(F)(F)F	ZINC000002271693	569217560	/nfs/dbraw/zinc/21/75/60/569217560.db2.gz	AUZXTIHKVZVKGG-GOSISDBHSA-N	-2	3	446.447	3.216	50	0		IGAAHL
CCN1CCc2c3ccccc3[nH]c2[C@@H]1c1c([O-])nc([O-])n(-c2ccccc2OC)c1=O	ZINC000009041525	569497634	/nfs/dbraw/zinc/49/76/34/569497634.db2.gz	UNAIEYGZQPBWKT-NRFANRHFSA-N	-2	3	432.480	3.101	50	0		IGAAHL
O=C([O-])c1cccc(NC(=O)CSc2nc(-c3cc(Br)ccc3[O-])n[nH]2)c1	ZINC000009235544	569514053	/nfs/dbraw/zinc/51/40/53/569514053.db2.gz	JGIJQCZSLDNUDQ-UHFFFAOYSA-N	-2	3	449.286	3.369	50	0		IGAAHL
O=C([O-])c1cccc(NC(=O)CSc2n[nH]c(-c3cc(Br)ccc3[O-])n2)c1	ZINC000009235544	569514054	/nfs/dbraw/zinc/51/40/54/569514054.db2.gz	JGIJQCZSLDNUDQ-UHFFFAOYSA-N	-2	3	449.286	3.369	50	0		IGAAHL
Cc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2)c([O-])c1	ZINC000009467676	569538479	/nfs/dbraw/zinc/53/84/79/569538479.db2.gz	QIQDYPBXPWFFQD-UHFFFAOYSA-N	-2	3	426.450	3.482	50	0		IGAAHL
CCOC(=O)[C@]([N-]c1cccc(F)c1)([N-]S(=O)(=O)c1ccc(C)cc1)C(F)(F)F	ZINC000003103630	555887436	/nfs/dbraw/zinc/88/74/36/555887436.db2.gz	URKLQXBCLHJGLL-KRWDZBQOSA-N	-2	3	434.411	3.346	50	0		IGAAHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccc(OS(=O)(=O)c2ccccc2)cc1	ZINC000009358633	556285318	/nfs/dbraw/zinc/28/53/18/556285318.db2.gz	RZFNULRJHSROCF-UHFFFAOYSA-N	-2	3	440.481	3.109	50	0		IGAAHL
CCCc1cc(=O)[n-]c(S[C@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[n-]2)n1	ZINC000016049711	556580832	/nfs/dbraw/zinc/58/08/32/556580832.db2.gz	MHDONOUMDRQEMC-SNVBAGLBSA-N	-2	3	434.543	3.359	50	0		IGAAHL
CCCc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1	ZINC000017098005	556662554	/nfs/dbraw/zinc/66/25/54/556662554.db2.gz	CAAPXXSLOHYRLA-UHFFFAOYSA-N	-2	3	432.527	3.031	50	0		IGAAHL
CCOC(=O)[C@H]1CCCN(c2ccc([N-]S(=O)(=O)c3cccc(C)c3)cc2C(=O)[O-])C1	ZINC000033253421	556893789	/nfs/dbraw/zinc/89/37/89/556893789.db2.gz	PODIYZSNGILBKW-INIZCTEOSA-N	-2	3	446.525	3.274	50	0		IGAAHL
CCOC(=O)C1CCN(c2ccc([N-]S(=O)(=O)c3cccc(C)c3)cc2C(=O)[O-])CC1	ZINC000033253525	556893992	/nfs/dbraw/zinc/89/39/92/556893992.db2.gz	XBPBLWGRMSUNSQ-UHFFFAOYSA-N	-2	3	446.525	3.274	50	0		IGAAHL
CCOC(=O)c1[n-]n(-c2ccccc2C)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000018212364	557252237	/nfs/dbraw/zinc/25/22/37/557252237.db2.gz	FMAQXTRIAGZPLV-PKOBYXMFSA-N	-2	3	425.872	3.254	50	0		IGAAHL
CCOC(=O)c1[n-]n(-c2ccccc2C)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000101134307	557261701	/nfs/dbraw/zinc/26/17/01/557261701.db2.gz	FMAQXTRIAGZPLV-MJGOQNOKSA-N	-2	3	425.872	3.254	50	0		IGAAHL
CCCCNC(=O)c1c[n-]c2ccc(S(=O)(=O)[N-]c3ccc(OCC)cc3)cc2c1=O	ZINC000008584638	562950089	/nfs/dbraw/zinc/95/00/89/562950089.db2.gz	PKESBJRXWVZEPF-UHFFFAOYSA-N	-2	3	443.525	3.258	50	0		IGAAHL
CCCCNC(=O)c1cnc2ccc(S(=O)(=O)[N-]c3ccc(OCC)cc3)cc2c1[O-]	ZINC000008584638	562950091	/nfs/dbraw/zinc/95/00/91/562950091.db2.gz	PKESBJRXWVZEPF-UHFFFAOYSA-N	-2	3	443.525	3.258	50	0		IGAAHL
CCN1CCN(c2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)c(C(=O)[O-])c2)CC1	ZINC000064461982	568929690	/nfs/dbraw/zinc/92/96/90/568929690.db2.gz	BTGNILLFCHNSRG-UHFFFAOYSA-N	-2	3	431.558	3.253	50	0		IGAAHL
CCOC(=O)[N-]C(=S)Nc1cc2[nH]c(CC)nc2cc1[N-]C(=S)NC(=O)OCC	ZINC000003914848	569186310	/nfs/dbraw/zinc/18/63/10/569186310.db2.gz	IBQHHAQWUHTRPP-UHFFFAOYSA-N	-2	3	438.535	3.011	50	0		IGAAHL
COc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c(OC)c1	ZINC000001112299	555632412	/nfs/dbraw/zinc/63/24/12/555632412.db2.gz	OPOGCTUPNMILDX-UHFFFAOYSA-N	-2	3	448.522	3.305	50	0		IGAAHL
CCOC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000100563726	556620662	/nfs/dbraw/zinc/62/06/62/556620662.db2.gz	VCFSAPQHUUBITR-RDJZCZTQSA-N	-2	3	432.263	3.291	50	0		IGAAHL
COc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccccc1C(=O)[O-]	ZINC000245311631	568914646	/nfs/dbraw/zinc/91/46/46/568914646.db2.gz	PFENJNKAHWXPSP-YPAWHYETSA-N	-2	3	444.443	3.445	50	0		IGAAHL
O=C([N-]c1ccc(F)cc1F)c1nnc(C[N-]S(=O)(=O)c2ccc(Cl)cc2)s1	ZINC000064991808	569084330	/nfs/dbraw/zinc/08/43/30/569084330.db2.gz	VJPXBTKIRCGHNX-UHFFFAOYSA-N	-2	3	444.872	3.201	50	0		IGAAHL
O=C([O-])Cn1cc([C@H](C(=O)[O-])N2CCN(Cc3ccccc3)CC2)c2ccc(Cl)cc21	ZINC000036359884	569086511	/nfs/dbraw/zinc/08/65/11/569086511.db2.gz	OKMKKQSUDRJNTH-JOCHJYFZSA-N	-2	3	441.915	3.323	50	0		IGAAHL
Cc1c([O-])ccc2c(C)c(CC(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)[O-])c(=O)oc12	ZINC000002104413	569180265	/nfs/dbraw/zinc/18/02/65/569180265.db2.gz	RNXDIDRUUUKFQG-KRWDZBQOSA-N	-2	3	429.856	3.123	50	0		IGAAHL
COc1ccc([C@H]2CC(c3c([O-])[n-]c(=O)sc3=O)=Nc3ccccc3N2C(C)=O)cc1	ZINC000035622685	525404000	/nfs/dbraw/zinc/40/40/00/525404000.db2.gz	YIKUJOOSFSDMAR-GOSISDBHSA-N	-2	3	437.477	3.130	50	0		IGAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1C	ZINC000002349536	555770752	/nfs/dbraw/zinc/77/07/52/555770752.db2.gz	LVRZWCBTWGTUGF-UHFFFAOYSA-N	-2	3	439.540	3.062	50	0		IGAAHL
CCOC(=O)[C@@]([O-])(c1ccc(N(CC)C(=O)c2ccccc2C(=O)[O-])cc1)C(F)(F)F	ZINC000003099826	556520478	/nfs/dbraw/zinc/52/04/78/556520478.db2.gz	XKDGNUFSZVXYDO-FQEVSTJZSA-N	-2	3	439.386	3.365	50	0		IGAAHL
CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)P(=O)([O-])[O-]	ZINC000027023863	568939280	/nfs/dbraw/zinc/93/92/80/568939280.db2.gz	YQRZKMTZQDZHMU-PMACEKPBSA-N	-2	3	448.456	3.190	50	0		IGAAHL
Cn1c2ccccc2c([C@H](C(=O)[O-])N2CCN(Cc3cccc(Cl)c3)CC2)c1C(=O)[O-]	ZINC000036358660	569085243	/nfs/dbraw/zinc/08/52/43/569085243.db2.gz	OUGADKCOGPYJKL-OAQYLSRUSA-N	-2	3	441.915	3.473	50	0		IGAAHL
CCOC(=O)[C@]([N-]c1ccccc1OC)([N-]S(=O)(=O)c1ccc(C)cc1)C(F)(F)F	ZINC000002271694	569217563	/nfs/dbraw/zinc/21/75/63/569217563.db2.gz	AUZXTIHKVZVKGG-SFHVURJKSA-N	-2	3	446.447	3.216	50	0		IGAAHL
COc1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cc1	ZINC000009715568	569563116	/nfs/dbraw/zinc/56/31/16/569563116.db2.gz	PWJXPHVOZGLOJO-UHFFFAOYSA-N	-2	3	436.486	3.436	50	0		IGAAHL
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)c(C)c1	ZINC000012508155	524324434	/nfs/dbraw/zinc/32/44/34/524324434.db2.gz	VPXLVRWUKVVUOO-UHFFFAOYSA-N	-2	3	436.477	3.253	50	0		IGAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)cc1	ZINC000000835995	555566997	/nfs/dbraw/zinc/56/69/97/555566997.db2.gz	FEVLQHMEZIUCHC-UHFFFAOYSA-N	-2	3	432.527	3.003	50	0		IGAAHL
NC(=O)c1cccc(C(=O)Nc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)ccc2[O-])c1	ZINC000030650884	556501111	/nfs/dbraw/zinc/50/11/11/556501111.db2.gz	JZUZHUBMYLJJQM-UHFFFAOYSA-N	-2	3	445.884	3.198	50	0		IGAAHL
CCOC(=O)[C@@H]1CCCN(c2ccc([N-]S(=O)(=O)c3cccc(C)c3)cc2C(=O)[O-])C1	ZINC000033253420	556893783	/nfs/dbraw/zinc/89/37/83/556893783.db2.gz	PODIYZSNGILBKW-MRXNPFEDSA-N	-2	3	446.525	3.274	50	0		IGAAHL
Cn1c2ccccc2c([C@H](C(=O)[O-])N2CCN(C/C=C/c3ccccc3)CC2)c1C(=O)[O-]	ZINC000036358883	569085383	/nfs/dbraw/zinc/08/53/83/569085383.db2.gz	VHLHNCXINIPFQF-BWAMLYQTSA-N	-2	3	433.508	3.333	50	0		IGAAHL
O=C([O-])Cn1cc([C@@H](C(=O)[O-])N2CCN(c3ccc(F)cc3)CC2)c2ccc(Cl)cc21	ZINC000036365916	569087021	/nfs/dbraw/zinc/08/70/21/569087021.db2.gz	LDIXTLHGGUYNER-NRFANRHFSA-N	-2	3	445.878	3.466	50	0		IGAAHL
COCc1cc(=O)c([O-])c([C@H](CC(=O)OC)c2ccc(-c3ccc(C(=O)[O-])cc3)o2)o1	ZINC000096114126	569382652	/nfs/dbraw/zinc/38/26/52/569382652.db2.gz	BRFAMYSMDQWQQD-OAHLLOKOSA-N	-2	3	428.393	3.145	50	0		IGAAHL
CCN1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(C(C)C)cc2)CC1	ZINC000058009389	569444759	/nfs/dbraw/zinc/44/47/59/569444759.db2.gz	OCKNRFOFFBICMG-UHFFFAOYSA-N	-2	3	431.558	3.451	50	0		IGAAHL
CCCCN(C)C(=O)c1c[n-]c2ccc(S(=O)(=O)[N-]c3cccc(OC)c3)cc2c1=O	ZINC000008813196	569476672	/nfs/dbraw/zinc/47/66/72/569476672.db2.gz	YLKOIRCPZFXPQZ-UHFFFAOYSA-N	-2	3	443.525	3.210	50	0		IGAAHL
CCCCN(C)C(=O)c1cnc2ccc(S(=O)(=O)[N-]c3cccc(OC)c3)cc2c1[O-]	ZINC000008813196	569476673	/nfs/dbraw/zinc/47/66/73/569476673.db2.gz	YLKOIRCPZFXPQZ-UHFFFAOYSA-N	-2	3	443.525	3.210	50	0		IGAAHL
CCc1ccccc1[N-]S(=O)(=O)c1ccc2[n-]cc(C(=O)N[C@H](C)CC)c(=O)c2c1	ZINC000009680042	569559982	/nfs/dbraw/zinc/55/99/82/569559982.db2.gz	JOHPSNZJZOQKKH-CQSZACIVSA-N	-2	3	427.526	3.420	50	0		IGAAHL
CCc1ccccc1[N-]S(=O)(=O)c1ccc2ncc(C(=O)N[C@H](C)CC)c([O-])c2c1	ZINC000009680042	569559983	/nfs/dbraw/zinc/55/99/83/569559983.db2.gz	JOHPSNZJZOQKKH-CQSZACIVSA-N	-2	3	427.526	3.420	50	0		IGAAHL
O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cc3c(cc2Br)OCCO3)c1	ZINC000013361242	526370529	/nfs/dbraw/zinc/37/05/29/526370529.db2.gz	PFNKVGXJAWFBSH-UHFFFAOYSA-N	-2	3	448.678	3.373	50	0		IGAAHL
CC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c([O-])n(-c3ccccc3Cl)c(=O)c1-2	ZINC000013778031	556307870	/nfs/dbraw/zinc/30/78/70/556307870.db2.gz	XHGWIFLAYMIMRZ-DOTOQJQBSA-N	-2	3	446.688	3.426	50	0		IGAAHL
O=C([O-])CCn1cc([C@H](C(=O)[O-])N2CCN(Cc3ccccc3)CC2)c2ccc(F)cc21	ZINC000036357654	569085113	/nfs/dbraw/zinc/08/51/13/569085113.db2.gz	CSXXDYZOLJFLBM-HSZRJFAPSA-N	-2	3	439.487	3.199	50	0		IGAAHL
Cn1cc([C@H](C(=O)[O-])N2CCN(Cc3cccc(Cl)c3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036358763	569085196	/nfs/dbraw/zinc/08/51/96/569085196.db2.gz	HNSLJYDXBOHBBP-OAQYLSRUSA-N	-2	3	441.915	3.473	50	0		IGAAHL
CN1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000032961741	556572650	/nfs/dbraw/zinc/57/26/50/556572650.db2.gz	YQBPJKZZJOGHBO-UHFFFAOYSA-N	-2	3	444.340	3.244	50	0		IGAAHL
COc1cc2c(cc1OC)[C@H](c1c(=O)[n-]c(=S)n(-c3cccc(C)c3)c1[O-])NCC2	ZINC000017194880	557037414	/nfs/dbraw/zinc/03/74/14/557037414.db2.gz	GRXGUAPXEFSIJC-LJQANCHMSA-N	-2	3	425.510	3.161	50	0		IGAAHL
COc1cccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)NCCC(C)C)c(=O)c3c2)c1	ZINC000008584661	562950079	/nfs/dbraw/zinc/95/00/79/562950079.db2.gz	SJAFBJKSOYEVCL-UHFFFAOYSA-N	-2	3	443.525	3.113	50	0		IGAAHL
COc1cccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)NCCC(C)C)c([O-])c3c2)c1	ZINC000008584661	562950080	/nfs/dbraw/zinc/95/00/80/562950080.db2.gz	SJAFBJKSOYEVCL-UHFFFAOYSA-N	-2	3	443.525	3.113	50	0		IGAAHL
O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(-c3nnc4n3CCCCC4)c(F)cc2F)c1	ZINC000012949831	568871735	/nfs/dbraw/zinc/87/17/35/568871735.db2.gz	HUPBUWZFOHPQNN-UHFFFAOYSA-N	-2	3	448.451	3.449	50	0		IGAAHL
CCN1CCN(c2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)cc2C(=O)[O-])CC1	ZINC000064580598	568934456	/nfs/dbraw/zinc/93/44/56/568934456.db2.gz	CUMZRKDIQXEIBD-UHFFFAOYSA-N	-2	3	431.558	3.253	50	0		IGAAHL
Cc1ccc([O-])c(S(=O)(=O)[N-]c2cccnc2N2C(=O)O[C@H](C(F)(F)F)[C@H]2C)c1	ZINC000089624165	569160054	/nfs/dbraw/zinc/16/00/54/569160054.db2.gz	FXMXOIKRCSSHEW-YGRLFVJLSA-N	-2	3	431.392	3.172	50	0		IGAAHL
CCn1nc(C)c(C2c3c(=O)[n-]c(SC)nc3Nc3nc(SC)[n-]c(=O)c32)c1C	ZINC000670416140	569403164	/nfs/dbraw/zinc/40/31/64/569403164.db2.gz	QBFCCLMXOVYRSA-UHFFFAOYSA-N	-2	3	431.547	3.192	50	0		IGAAHL
COc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccccc1C(=O)[O-]	ZINC000230041208	569418808	/nfs/dbraw/zinc/41/88/08/569418808.db2.gz	PFENJNKAHWXPSP-BHDDXSALSA-N	-2	3	444.443	3.445	50	0		IGAAHL
COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(C(=O)OCC(=O)c2ccccc2)c1	ZINC000003346648	569447144	/nfs/dbraw/zinc/44/71/44/569447144.db2.gz	QFIOAADXTVDDKX-UHFFFAOYSA-N	-2	3	441.461	3.241	50	0		IGAAHL
COC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000009330071	569522959	/nfs/dbraw/zinc/52/29/59/569522959.db2.gz	SCHNXELDNRZMGQ-NVXWUHKLSA-N	-2	3	432.263	3.209	50	0		IGAAHL
CC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c([O-])n(-c3cccc(Cl)c3)c(=O)c1-2	ZINC000009347642	569524306	/nfs/dbraw/zinc/52/43/06/569524306.db2.gz	CWNCITDUXXKSFA-DOTOQJQBSA-N	-2	3	446.688	3.426	50	0		IGAAHL
CCCCNC(=O)c1c[n-]c2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2c1=O	ZINC000009680157	569560041	/nfs/dbraw/zinc/56/00/41/569560041.db2.gz	UYPFPZGAYIUXHK-UHFFFAOYSA-N	-2	3	427.526	3.476	50	0		IGAAHL
CCCCNC(=O)c1cnc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2c1[O-]	ZINC000009680157	569560042	/nfs/dbraw/zinc/56/00/42/569560042.db2.gz	UYPFPZGAYIUXHK-UHFFFAOYSA-N	-2	3	427.526	3.476	50	0		IGAAHL
Cc1c(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c(=O)oc2cc([O-])cc([O-])c12	ZINC000009347855	132314105	/nfs/dbraw/zinc/31/41/05/132314105.db2.gz	BVLOXJLCFYHZOP-UHFFFAOYSA-N	-2	3	428.872	3.057	50	0		IGAAHL
CCOC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3ccccc3Cl)c(=O)c1-2	ZINC000012437116	520545155	/nfs/dbraw/zinc/54/51/55/520545155.db2.gz	UJFAVKWSGGPLPF-DOTOQJQBSA-N	-2	3	432.263	3.291	50	0		IGAAHL
COc1ccc([C@@H]2CC(c3c([O-])[n-]c(=O)sc3=O)=Nc3ccccc3N2C(C)=O)cc1	ZINC000035622686	525238424	/nfs/dbraw/zinc/23/84/24/525238424.db2.gz	YIKUJOOSFSDMAR-SFHVURJKSA-N	-2	3	437.477	3.130	50	0		IGAAHL
O=C(COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)N[C@@H](C(=O)[O-])c1ccccc1	ZINC000012297018	526946018	/nfs/dbraw/zinc/94/60/18/526946018.db2.gz	WPHGWZQFWCFHAO-XMMPIXPASA-N	-2	3	445.427	3.487	50	0		IGAAHL
O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3nnc4n3CCCCC4)c(F)cc2F)cc1	ZINC000013017066	556438388	/nfs/dbraw/zinc/43/83/88/556438388.db2.gz	PPNHPEULXIXQMQ-UHFFFAOYSA-N	-2	3	448.451	3.449	50	0		IGAAHL
CS(=O)(=O)[N-]c1ccccc1C1=NN(C(=O)CCC(=O)[O-])[C@@H](c2ccccc2Cl)C1	ZINC000023115094	557064529	/nfs/dbraw/zinc/06/45/29/557064529.db2.gz	HNMQRTLICZYYEF-GOSISDBHSA-N	-2	3	449.916	3.254	50	0		IGAAHL
O=C([O-])c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)cc1	ZINC000100970027	557208989	/nfs/dbraw/zinc/20/89/89/557208989.db2.gz	JCOYCMOSSRINSX-QHAWAJNXSA-N	-2	3	430.416	3.142	50	0		IGAAHL
COC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000101130539	557261729	/nfs/dbraw/zinc/26/17/29/557261729.db2.gz	SCHNXELDNRZMGQ-DOTOQJQBSA-N	-2	3	432.263	3.209	50	0		IGAAHL
COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1Br	ZINC000058370532	557812383	/nfs/dbraw/zinc/81/23/83/557812383.db2.gz	ASSCGUHWYIKGLH-XVNBXDOJSA-N	-2	3	430.251	3.495	50	0		IGAAHL
Cc1ccccc1[N-]S(=O)(=O)c1ccc2[n-]cc(C(=O)N3CCCCC3)c(=O)c2c1	ZINC000008583480	562949734	/nfs/dbraw/zinc/94/97/34/562949734.db2.gz	FOQICAKTBPKLFB-UHFFFAOYSA-N	-2	3	425.510	3.263	50	0		IGAAHL
Cc1ccccc1[N-]S(=O)(=O)c1ccc2ncc(C(=O)N3CCCCC3)c([O-])c2c1	ZINC000008583480	562949736	/nfs/dbraw/zinc/94/97/36/562949736.db2.gz	FOQICAKTBPKLFB-UHFFFAOYSA-N	-2	3	425.510	3.263	50	0		IGAAHL
CCN1CCN(c2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc2C(=O)[O-])CC1	ZINC000064580585	568934570	/nfs/dbraw/zinc/93/45/70/568934570.db2.gz	DNNIMZYPZLEHSC-UHFFFAOYSA-N	-2	3	431.558	3.451	50	0		IGAAHL
CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)P(=O)([O-])[O-]	ZINC000027023858	568939289	/nfs/dbraw/zinc/93/92/89/568939289.db2.gz	YQRZKMTZQDZHMU-WOJBJXKFSA-N	-2	3	448.456	3.190	50	0		IGAAHL
Cc1ccc([O-])c(S(=O)(=O)[N-]c2cccnc2N2C(=O)O[C@@H](C(F)(F)F)[C@@H]2C)c1	ZINC000089624164	569160140	/nfs/dbraw/zinc/16/01/40/569160140.db2.gz	FXMXOIKRCSSHEW-IINYFYTJSA-N	-2	3	431.392	3.172	50	0		IGAAHL
Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)c1	ZINC000012750971	524115456	/nfs/dbraw/zinc/11/54/56/524115456.db2.gz	WXHGIRWIFBMBJZ-UHFFFAOYSA-N	-2	3	435.506	3.065	50	0		IGAAHL
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c(C)c1	ZINC000000917283	555583466	/nfs/dbraw/zinc/58/34/66/555583466.db2.gz	DRHOZAFCAWVXSR-UHFFFAOYSA-N	-2	3	432.527	3.003	50	0		IGAAHL
CCOC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000100563724	556620713	/nfs/dbraw/zinc/62/07/13/556620713.db2.gz	VCFSAPQHUUBITR-NVXWUHKLSA-N	-2	3	432.263	3.291	50	0		IGAAHL
CCOC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c([O-])n(-c3cccc(Cl)c3)c(=O)c1-2	ZINC000018021786	556681496	/nfs/dbraw/zinc/68/14/96/556681496.db2.gz	LMTBZMZAEDRZTF-RDJZCZTQSA-N	-2	3	432.263	3.291	50	0		IGAAHL
CCN(CCN(C)C)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1Cl	ZINC000033253990	556894332	/nfs/dbraw/zinc/89/43/32/556894332.db2.gz	CNOGVRQFPHINBR-UHFFFAOYSA-N	-2	3	425.938	3.227	50	0		IGAAHL
Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(S(=O)(=O)[N-]C(C)(C)C)c(F)cc1F	ZINC000072301058	557220821	/nfs/dbraw/zinc/22/08/21/557220821.db2.gz	JKBDIGXPJRDQDA-UHFFFAOYSA-N	-2	3	436.477	3.290	50	0		IGAAHL
CCOC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000018058706	557233917	/nfs/dbraw/zinc/23/39/17/557233917.db2.gz	SKGVCCIEXDDZRR-WBVHZDCISA-N	-2	3	432.263	3.291	50	0		IGAAHL
Cn1cc([C@H](C(=O)[O-])N2CCN(C/C=C/c3ccccc3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036360860	569086692	/nfs/dbraw/zinc/08/66/92/569086692.db2.gz	XCXDIZSDLJDLRM-NPOAWEEOSA-N	-2	3	433.508	3.333	50	0		IGAAHL
COCc1cc(=O)c([O-])c([C@H](CC(=O)OC)c2ccc(-c3cccc(C(=O)[O-])c3)o2)o1	ZINC000096116051	569383449	/nfs/dbraw/zinc/38/34/49/569383449.db2.gz	PJQCYQQRUCQZTA-OAHLLOKOSA-N	-2	3	428.393	3.145	50	0		IGAAHL
COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1c([O-])nc([O-])n(-c2ccccc2Cl)c1=O	ZINC000008994951	569495557	/nfs/dbraw/zinc/49/55/57/569495557.db2.gz	YBWOHWXRSHFPLV-LJQANCHMSA-N	-2	3	438.871	3.022	50	0		IGAAHL
CCCCNC(=O)c1c[n-]c2ccc(S(=O)(=O)[N-]c3ccc(CC)cc3)cc2c1=O	ZINC000009680089	569560068	/nfs/dbraw/zinc/56/00/68/569560068.db2.gz	QAOUWKGMZIZGKP-UHFFFAOYSA-N	-2	3	427.526	3.421	50	0		IGAAHL
CCCCNC(=O)c1cnc2ccc(S(=O)(=O)[N-]c3ccc(CC)cc3)cc2c1[O-]	ZINC000009680089	569560069	/nfs/dbraw/zinc/56/00/69/569560069.db2.gz	QAOUWKGMZIZGKP-UHFFFAOYSA-N	-2	3	427.526	3.421	50	0		IGAAHL
COc1cc2c(c(OC)c1[O-])-c1ccc(OC)c(=O)cc1[C@@H]([N-]C(=O)C(F)(F)F)CC2	ZINC000004583474	556002936	/nfs/dbraw/zinc/00/29/36/556002936.db2.gz	BXGLTIXFXLUVOH-ZDUSSCGKSA-N	-2	3	439.386	3.111	50	0		IGAAHL
CC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c([O-])n(-c3ccccc3Cl)c(=O)c1-2	ZINC000100737725	556659109	/nfs/dbraw/zinc/65/91/09/556659109.db2.gz	XHGWIFLAYMIMRZ-NVXWUHKLSA-N	-2	3	446.688	3.426	50	0		IGAAHL
CCOC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c([O-])n(-c3cccc(Cl)c3)c(=O)c1-2	ZINC000018202703	556686593	/nfs/dbraw/zinc/68/65/93/556686593.db2.gz	LMTBZMZAEDRZTF-WBVHZDCISA-N	-2	3	432.263	3.291	50	0		IGAAHL
CCOc1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)[N-]c3nccs3)c2)cc1	ZINC000072313002	556688451	/nfs/dbraw/zinc/68/84/51/556688451.db2.gz	OAJHYYYDAQCEMW-UHFFFAOYSA-N	-2	3	439.540	3.143	50	0		IGAAHL
CCN(CC)C(=O)c1c[n-]c2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2c1=O	ZINC000008584641	562950006	/nfs/dbraw/zinc/95/00/06/562950006.db2.gz	ZFUKWTCEXLVUQZ-UHFFFAOYSA-N	-2	3	427.526	3.428	50	0		IGAAHL
CCN(CC)C(=O)c1cnc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2c1[O-]	ZINC000008584641	562950007	/nfs/dbraw/zinc/95/00/07/562950007.db2.gz	ZFUKWTCEXLVUQZ-UHFFFAOYSA-N	-2	3	427.526	3.428	50	0		IGAAHL
CCOc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)N(CC)CC)c(=O)c3c2)cc1	ZINC000008584639	562950026	/nfs/dbraw/zinc/95/00/26/562950026.db2.gz	YXSXNEDTMVHDOJ-UHFFFAOYSA-N	-2	3	443.525	3.210	50	0		IGAAHL
CCOc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)N(CC)CC)c([O-])c3c2)cc1	ZINC000008584639	562950027	/nfs/dbraw/zinc/95/00/27/562950027.db2.gz	YXSXNEDTMVHDOJ-UHFFFAOYSA-N	-2	3	443.525	3.210	50	0		IGAAHL
CCOc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)N[C@H](C)CC)c(=O)c3c2)cc1	ZINC000008584633	562950037	/nfs/dbraw/zinc/95/00/37/562950037.db2.gz	LBCKGKHGGGKUBU-CQSZACIVSA-N	-2	3	443.525	3.256	50	0		IGAAHL
CCOc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)N[C@H](C)CC)c([O-])c3c2)cc1	ZINC000008584633	562950038	/nfs/dbraw/zinc/95/00/38/562950038.db2.gz	LBCKGKHGGGKUBU-CQSZACIVSA-N	-2	3	443.525	3.256	50	0		IGAAHL
Cn1cc([C@@H](C(=O)[O-])N2CCN(Cc3cccc(Cl)c3)CC2)c2ccc(C(=O)[O-])cc21	ZINC000036354818	569084176	/nfs/dbraw/zinc/08/41/76/569084176.db2.gz	RZLYRAPSZTWTMG-NRFANRHFSA-N	-2	3	441.915	3.473	50	0		IGAAHL
O=C([O-])Cn1cc([C@@H](C(=O)[O-])N2CCN(Cc3ccccc3)CC2)c2ccc(Cl)cc21	ZINC000036359883	569086519	/nfs/dbraw/zinc/08/65/19/569086519.db2.gz	OKMKKQSUDRJNTH-QFIPXVFZSA-N	-2	3	441.915	3.323	50	0		IGAAHL
O=C([O-])Cn1cc([C@H](C(=O)[O-])N2CCN(c3ccc(F)cc3)CC2)c2ccc(Cl)cc21	ZINC000036365918	569087003	/nfs/dbraw/zinc/08/70/03/569087003.db2.gz	LDIXTLHGGUYNER-OAQYLSRUSA-N	-2	3	445.878	3.466	50	0		IGAAHL
CCOC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3ccccc3Cl)c(=O)c1-2	ZINC000096247034	569387966	/nfs/dbraw/zinc/38/79/66/569387966.db2.gz	UJFAVKWSGGPLPF-RDJZCZTQSA-N	-2	3	432.263	3.291	50	0		IGAAHL
CCCN1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cc(C)ccc2C)CC1	ZINC000058009294	569444778	/nfs/dbraw/zinc/44/47/78/569444778.db2.gz	KSNZCCOXRJXGLT-UHFFFAOYSA-N	-2	3	431.558	3.334	50	0		IGAAHL
CC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c([O-])n(-c3cccc(Cl)c3)c(=O)c1-2	ZINC000009347643	569524334	/nfs/dbraw/zinc/52/43/34/569524334.db2.gz	CWNCITDUXXKSFA-WBVHZDCISA-N	-2	3	446.688	3.426	50	0		IGAAHL
O=S(=O)([N-]CC(F)(F)F)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1	ZINC000014868206	556451723	/nfs/dbraw/zinc/45/17/23/556451723.db2.gz	XLNONHURSWDTGZ-UHFFFAOYSA-N	-2	3	444.456	3.481	50	0		IGAAHL
CCOC(=O)[C@H]1CCCN(c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2C(=O)[O-])C1	ZINC000033253383	556893785	/nfs/dbraw/zinc/89/37/85/556893785.db2.gz	TZFNYJHUWVAHQD-INIZCTEOSA-N	-2	3	446.525	3.274	50	0		IGAAHL
CCOC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c([O-])n(-c3cccc(Cl)c3)c(=O)c1-2	ZINC000100740581	557274008	/nfs/dbraw/zinc/27/40/08/557274008.db2.gz	LMTBZMZAEDRZTF-DOTOQJQBSA-N	-2	3	432.263	3.291	50	0		IGAAHL
O=C([O-])c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)cc1	ZINC000229960620	557834518	/nfs/dbraw/zinc/83/45/18/557834518.db2.gz	JCOYCMOSSRINSX-PWRODBHTSA-N	-2	3	430.416	3.142	50	0		IGAAHL
Cc1ccc(S(=O)(=O)[N-]c2nn[n-]c2C(=O)Nc2cccc(C(F)(F)F)c2)cc1	ZINC000006173450	568850942	/nfs/dbraw/zinc/85/09/42/568850942.db2.gz	HZCVGNRORJUXNO-UHFFFAOYSA-N	-2	3	425.392	3.185	50	0		IGAAHL
CCCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(CC)CC3)cc2C(=O)[O-])cc1	ZINC000064461995	568929634	/nfs/dbraw/zinc/92/96/34/568929634.db2.gz	GTBKWXVQNIAQBN-UHFFFAOYSA-N	-2	3	431.558	3.280	50	0		IGAAHL
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(NC(=O)NC3CC3)cc2)c(C)c1CC(=O)[O-]	ZINC000096007264	569379488	/nfs/dbraw/zinc/37/94/88/569379488.db2.gz	BTLGTGRWOYLALM-UHFFFAOYSA-N	-2	3	431.514	3.324	50	0		IGAAHL
CCOC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c([O-])n(-c3ccccc3Cl)c(=O)c1-2	ZINC000096247030	569387983	/nfs/dbraw/zinc/38/79/83/569387983.db2.gz	AASDWVXDTVGSHB-RDJZCZTQSA-N	-2	3	432.263	3.291	50	0		IGAAHL
Cc1c(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c(=O)oc2cc([O-])cc([O-])c12	ZINC000008993616	132300007	/nfs/dbraw/zinc/30/00/07/132300007.db2.gz	UUPRDENWORFLDE-UHFFFAOYSA-N	-2	3	428.872	3.057	50	0		IGAAHL
Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cccc([C@@]4(C)NC(=O)[N-]C4=O)c3)s2)cs1	ZINC000089712611	526578585	/nfs/dbraw/zinc/57/85/85/526578585.db2.gz	JTPLYBVTWZJPPL-GOSISDBHSA-N	-2	3	448.551	3.035	50	0		IGAAHL
COC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000013811505	556312591	/nfs/dbraw/zinc/31/25/91/556312591.db2.gz	BZVUGXRRLDLHJB-RDJZCZTQSA-N	-2	3	432.263	3.209	50	0		IGAAHL
CCCc1cc(=O)[n-]c(S[C@@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[n-]2)n1	ZINC000016049710	556580768	/nfs/dbraw/zinc/58/07/68/556580768.db2.gz	MHDONOUMDRQEMC-JTQLQIEISA-N	-2	3	434.543	3.359	50	0		IGAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC(C)CC3)c(C(=O)[O-])c2)cc1OC	ZINC000033253434	556893759	/nfs/dbraw/zinc/89/37/59/556893759.db2.gz	YOPBGQQUWOHGLV-UHFFFAOYSA-N	-2	3	434.514	3.439	50	0		IGAAHL
CCCCn1c([O-])c(C2=NN(C(=O)CC)[C@H](c3ccc4c(c3)OCO4)C2)c(=O)[n-]c1=S	ZINC000101495587	557289156	/nfs/dbraw/zinc/28/91/56/557289156.db2.gz	RSEKFEBVQRHIJH-AWEZNQCLSA-N	-2	3	444.513	3.228	50	0		IGAAHL
COc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccccc1C(=O)[O-]	ZINC000102762441	557385712	/nfs/dbraw/zinc/38/57/12/557385712.db2.gz	PFENJNKAHWXPSP-BHIFYINESA-N	-2	3	444.443	3.445	50	0		IGAAHL
CCOc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)N[C@@H](C)CC)c(=O)c3c2)cc1	ZINC000008584634	562950014	/nfs/dbraw/zinc/95/00/14/562950014.db2.gz	LBCKGKHGGGKUBU-AWEZNQCLSA-N	-2	3	443.525	3.256	50	0		IGAAHL
CCOc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)N[C@@H](C)CC)c([O-])c3c2)cc1	ZINC000008584634	562950015	/nfs/dbraw/zinc/95/00/15/562950015.db2.gz	LBCKGKHGGGKUBU-AWEZNQCLSA-N	-2	3	443.525	3.256	50	0		IGAAHL
O=C([O-])Cn1cc([C@H](C(=O)[O-])N2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21	ZINC000036352775	569083922	/nfs/dbraw/zinc/08/39/22/569083922.db2.gz	IAHWRGHOUDXRSI-CCWPHWCFSA-N	-2	3	433.508	3.183	50	0		IGAAHL
O=C([N-]c1ccccc1F)c1nnc(C[N-]S(=O)(=O)c2ccccc2Cl)s1	ZINC000064991780	569084694	/nfs/dbraw/zinc/08/46/94/569084694.db2.gz	FYLXFRVNIPQDIY-UHFFFAOYSA-N	-2	3	426.882	3.061	50	0		IGAAHL
O=C([N-]c1ccccc1F)c1nnc(C[N-]S(=O)(=O)c2ccc(F)c(Cl)c2)s1	ZINC000064991766	569084736	/nfs/dbraw/zinc/08/47/36/569084736.db2.gz	PRQOEZFJLPFZIV-UHFFFAOYSA-N	-2	3	444.872	3.201	50	0		IGAAHL
Cn1c2ccccc2c([C@@H](C(=O)[O-])N2CCN(c3cccc(Cl)c3)CC2)c1C(=O)[O-]	ZINC000036360441	569086410	/nfs/dbraw/zinc/08/64/10/569086410.db2.gz	MLRMPMMMLKMQIC-FQEVSTJZSA-N	-2	3	427.888	3.478	50	0		IGAAHL
Cc1nn(CCC(=O)[O-])c(C)c1[C@H]1SC(C)=Nc2c1c(=O)[n-]n2[C@@H]1CCOC(C)(C)C1	ZINC000096118272	569384400	/nfs/dbraw/zinc/38/44/00/569384400.db2.gz	OPXBQHXVUWXFTB-RDTXWAMCSA-N	-2	3	447.561	3.481	50	0		IGAAHL
CCc1c(CC(N)=O)c2cc(OCCCP(=O)([O-])[O-])ccc2n1Cc1ccccc1	ZINC000001543374	555702876	/nfs/dbraw/zinc/70/28/76/555702876.db2.gz	OPWQYOUZRHDKBR-UHFFFAOYSA-N	-2	3	430.441	3.226	50	0	in-vitro	IGAAHL
COc1ccccc1-n1c([O-])c2n(-c3c(Cl)cccc3Cl)[n-]c(C(C)=O)c-2c1=O	ZINC000013659370	556546645	/nfs/dbraw/zinc/54/66/45/556546645.db2.gz	MDIWGCQVUSHLRL-YJBOKZPZSA-N	-2	3	432.263	3.325	50	0		IGAAHL
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])cc2)cc1	ZINC000000675187	557662988	/nfs/dbraw/zinc/66/29/88/557662988.db2.gz	IHZNEGNAWUEPCJ-RBUKOAKNSA-N	-2	3	432.498	3.326	50	0		IGAAHL
Cc1ccccc1[N-]S(=O)(=O)c1ccc2[n-]cc(C(=O)NC3CCCC3)c(=O)c2c1	ZINC000006181460	562946423	/nfs/dbraw/zinc/94/64/23/562946423.db2.gz	AFCBJIFFOSGURH-UHFFFAOYSA-N	-2	3	425.510	3.310	50	0		IGAAHL
Cc1ccccc1[N-]S(=O)(=O)c1ccc2ncc(C(=O)NC3CCCC3)c([O-])c2c1	ZINC000006181460	562946424	/nfs/dbraw/zinc/94/64/24/562946424.db2.gz	AFCBJIFFOSGURH-UHFFFAOYSA-N	-2	3	425.510	3.310	50	0		IGAAHL
CN1CCN(c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2C(=O)[O-])CC1	ZINC000064580555	568934480	/nfs/dbraw/zinc/93/44/80/568934480.db2.gz	INEDHVPXRNYRKB-UHFFFAOYSA-N	-2	3	431.558	3.235	50	0		IGAAHL
O=C([N-]c1ccccc1F)c1nnc(C[N-]S(=O)(=O)c2ccc(Cl)cc2)s1	ZINC000064991755	569084763	/nfs/dbraw/zinc/08/47/63/569084763.db2.gz	YOSYHTGVLFMQOV-UHFFFAOYSA-N	-2	3	426.882	3.061	50	0		IGAAHL
Cc1nn(CCC(=O)[O-])c(C)c1[C@@H]1SC(C)=Nc2c1c(=O)[n-]n2[C@@H]1CCOC(C)(C)C1	ZINC000096118273	569384375	/nfs/dbraw/zinc/38/43/75/569384375.db2.gz	OPXBQHXVUWXFTB-KDOFPFPSSA-N	-2	3	447.561	3.481	50	0		IGAAHL
COc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2)cc1	ZINC000001154937	555658393	/nfs/dbraw/zinc/65/83/93/555658393.db2.gz	ILSLCIONOGMJCD-UHFFFAOYSA-N	-2	3	448.522	3.305	50	0		IGAAHL
O=C([O-])C1(CC(=O)Nc2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)CCCCCC1	ZINC000013469492	556507648	/nfs/dbraw/zinc/50/76/48/556507648.db2.gz	MOXHNUJHPKKGJM-UHFFFAOYSA-N	-2	3	436.452	3.281	50	0		IGAAHL
CC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000100739594	556658521	/nfs/dbraw/zinc/65/85/21/556658521.db2.gz	AFWBWXQHEHEVKX-WBVHZDCISA-N	-2	3	446.688	3.426	50	0		IGAAHL
CCOC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3cccc(Cl)c3)c(=O)c1-2	ZINC000018119367	557238346	/nfs/dbraw/zinc/23/83/46/557238346.db2.gz	NOZYYINCPMRNJH-WBVHZDCISA-N	-2	3	432.263	3.291	50	0		IGAAHL
COC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000101253758	557265145	/nfs/dbraw/zinc/26/51/45/557265145.db2.gz	BZVUGXRRLDLHJB-NVXWUHKLSA-N	-2	3	432.263	3.209	50	0		IGAAHL
COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2C(=O)[O-])cc1	ZINC000245310349	568914528	/nfs/dbraw/zinc/91/45/28/568914528.db2.gz	IJYVDSXEAORJEH-YPAWHYETSA-N	-2	3	444.443	3.445	50	0		IGAAHL
CCN1CCN(c2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2C(=O)[O-])CC1	ZINC000064580575	568934579	/nfs/dbraw/zinc/93/45/79/568934579.db2.gz	WYYXSCHQCLKBSE-UHFFFAOYSA-N	-2	3	431.558	3.253	50	0		IGAAHL
O=C([O-])Cn1cc([C@@H](C(=O)[O-])N2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21	ZINC000036352773	569083965	/nfs/dbraw/zinc/08/39/65/569083965.db2.gz	IAHWRGHOUDXRSI-OKHPUOTASA-N	-2	3	433.508	3.183	50	0		IGAAHL
CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2cc(Br)c([O-])c(Br)c2)N1	ZINC000095483513	569374419	/nfs/dbraw/zinc/37/44/19/569374419.db2.gz	NHRKFACGSJMTHA-LLVKDONJSA-N	-2	3	446.017	3.390	50	0		IGAAHL
CCc1ccccc1[N-]S(=O)(=O)c1ccc2[n-]cc(C(=O)N[C@@H](C)CC)c(=O)c2c1	ZINC000009680040	569559928	/nfs/dbraw/zinc/55/99/28/569559928.db2.gz	JOHPSNZJZOQKKH-AWEZNQCLSA-N	-2	3	427.526	3.420	50	0		IGAAHL
CCc1ccccc1[N-]S(=O)(=O)c1ccc2ncc(C(=O)N[C@@H](C)CC)c([O-])c2c1	ZINC000009680040	569559929	/nfs/dbraw/zinc/55/99/29/569559929.db2.gz	JOHPSNZJZOQKKH-AWEZNQCLSA-N	-2	3	427.526	3.420	50	0		IGAAHL
CC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000100739592	556658512	/nfs/dbraw/zinc/65/85/12/556658512.db2.gz	AFWBWXQHEHEVKX-NVXWUHKLSA-N	-2	3	446.688	3.426	50	0		IGAAHL
COc1cc2c(cc1OC)[C@@H](c1c(=O)[n-]c(=S)n(-c3cccc(C)c3)c1[O-])NCC2	ZINC000017194882	557037455	/nfs/dbraw/zinc/03/74/55/557037455.db2.gz	GRXGUAPXEFSIJC-IBGZPJMESA-N	-2	3	425.510	3.161	50	0		IGAAHL
COc1cc2c(cc1OC)[C@@H](c1c(=O)[n-]c(=S)n(-c3ccccc3C)c1[O-])NCC2	ZINC000017194819	557037483	/nfs/dbraw/zinc/03/74/83/557037483.db2.gz	CLKWLUVZNCDSDN-IBGZPJMESA-N	-2	3	425.510	3.161	50	0		IGAAHL
COC(=O)c1[n-]n(-c2ccccc2Cl)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000101134265	557261754	/nfs/dbraw/zinc/26/17/54/557261754.db2.gz	RTAWYOCWMFSMSA-NVXWUHKLSA-N	-2	3	432.263	3.209	50	0		IGAAHL
CCOC(=O)c1[n-]n(-c2ccccc2C)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000101134305	557261807	/nfs/dbraw/zinc/26/18/07/557261807.db2.gz	FMAQXTRIAGZPLV-IEBWSBKVSA-N	-2	3	425.872	3.254	50	0		IGAAHL
CCCCn1c([O-])c(C2=NN(C(C)=O)[C@H](c3ccc(OC)c(OC)c3)C2)c(=O)[n-]c1=S	ZINC000101455771	557286411	/nfs/dbraw/zinc/28/64/11/557286411.db2.gz	WZDFNPVQFGADRJ-HNNXBMFYSA-N	-2	3	446.529	3.126	50	0		IGAAHL
O=C([N-]n1c(=O)c2ccccc2[n-]c1=S)c1cc(-c2cccc(Br)c2)[nH]n1	ZINC000101607602	557291572	/nfs/dbraw/zinc/29/15/72/557291572.db2.gz	HUNHPSIOQBINQH-UHFFFAOYSA-N	-2	3	442.298	3.222	50	0		IGAAHL
Cn1cc([C@H](C(=O)[O-])N2CCN(Cc3cccc(Cl)c3)CC2)c2ccc(C(=O)[O-])cc21	ZINC000036354819	569084162	/nfs/dbraw/zinc/08/41/62/569084162.db2.gz	RZLYRAPSZTWTMG-OAQYLSRUSA-N	-2	3	441.915	3.473	50	0		IGAAHL
O=C([O-])Cn1cc([C@H](C(=O)[O-])N2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc21	ZINC000036359315	569085685	/nfs/dbraw/zinc/08/56/85/569085685.db2.gz	BEJGYGYTCYMHNR-JOCHJYFZSA-N	-2	3	441.915	3.323	50	0		IGAAHL
Cc1ccc(N2CCN([C@@H](C(=O)[O-])c3cn(CC(=O)[O-])c4cc(F)ccc34)CC2)c(C)c1	ZINC000036359604	569086416	/nfs/dbraw/zinc/08/64/16/569086416.db2.gz	SMXROLJEUYWCEX-HSZRJFAPSA-N	-2	3	439.487	3.430	50	0		IGAAHL
Cn1cc([C@H](C(=O)[O-])N2CCN(C/C=C/c3ccccc3)CC2)c2ccc(C(=O)[O-])cc21	ZINC000036359716	569086555	/nfs/dbraw/zinc/08/65/55/569086555.db2.gz	ISBMQVMVDJBUOK-NPOAWEEOSA-N	-2	3	433.508	3.333	50	0		IGAAHL
O=C([O-])CCn1cc([C@@H](C(=O)[O-])N2CCSCC2)c2ccc(Br)cc21	ZINC000036360813	569086670	/nfs/dbraw/zinc/08/66/70/569086670.db2.gz	GKEXPCWGDWMBTF-INIZCTEOSA-N	-2	3	427.320	3.053	50	0		IGAAHL
COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc3nccn3c2)c1	ZINC000065563022	569139256	/nfs/dbraw/zinc/13/92/56/569139256.db2.gz	AZLLNPIHNVHGPJ-UHFFFAOYSA-N	-2	3	438.465	3.102	50	0		IGAAHL
Cc1nn(CCC(=O)[O-])c(C)c1[C@H]1SC(C)=Nc2c1c(=O)[n-]n2[C@H]1CCOC(C)(C)C1	ZINC000096118274	569384419	/nfs/dbraw/zinc/38/44/19/569384419.db2.gz	OPXBQHXVUWXFTB-KBXCAEBGSA-N	-2	3	447.561	3.481	50	0		IGAAHL
COc1ccc([N-]S(=O)(=O)c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000009739325	569565018	/nfs/dbraw/zinc/56/50/18/569565018.db2.gz	GRKIULKMUFLSIR-UHFFFAOYSA-N	-2	3	436.486	3.436	50	0		IGAAHL
COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)CCc2cccnc2)c1	ZINC000022196831	524646204	/nfs/dbraw/zinc/64/62/04/524646204.db2.gz	YUMDALZQOMQLGE-UHFFFAOYSA-N	-2	3	427.482	3.168	50	0		IGAAHL
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)cc1	ZINC000001088047	555626998	/nfs/dbraw/zinc/62/69/98/555626998.db2.gz	DIHDNBWYOPCAIC-UHFFFAOYSA-N	-2	3	426.450	3.447	50	0		IGAAHL
CC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c([O-])n(-c3cccc(Cl)c3)c(=O)c1-2	ZINC000100740480	556659685	/nfs/dbraw/zinc/65/96/85/556659685.db2.gz	CWNCITDUXXKSFA-NVXWUHKLSA-N	-2	3	446.688	3.426	50	0		IGAAHL
CCOC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000017821702	557124367	/nfs/dbraw/zinc/12/43/67/557124367.db2.gz	VCFSAPQHUUBITR-DOTOQJQBSA-N	-2	3	432.263	3.291	50	0		IGAAHL
CCCCn1c([O-])c(C2=NN(C(C)=O)[C@@H](c3ccc(OC)c(OC)c3)C2)c(=O)[n-]c1=S	ZINC000101455773	557286372	/nfs/dbraw/zinc/28/63/72/557286372.db2.gz	WZDFNPVQFGADRJ-OAHLLOKOSA-N	-2	3	446.529	3.126	50	0		IGAAHL
Cc1ccccc1[N-]S(=O)(=O)c1ccc2[n-]cc(C(=O)NCCC(C)C)c(=O)c2c1	ZINC000006181468	568869094	/nfs/dbraw/zinc/86/90/94/568869094.db2.gz	LFPXVIVWBFCNGO-UHFFFAOYSA-N	-2	3	427.526	3.413	50	0		IGAAHL
Cc1ccccc1[N-]S(=O)(=O)c1ccc2ncc(C(=O)NCCC(C)C)c([O-])c2c1	ZINC000006181468	568869095	/nfs/dbraw/zinc/86/90/95/568869095.db2.gz	LFPXVIVWBFCNGO-UHFFFAOYSA-N	-2	3	427.526	3.413	50	0		IGAAHL
Cn1cc([C@@H](C(=O)[O-])N2CCN(Cc3cccc(Cl)c3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036358762	569085274	/nfs/dbraw/zinc/08/52/74/569085274.db2.gz	HNSLJYDXBOHBBP-NRFANRHFSA-N	-2	3	441.915	3.473	50	0		IGAAHL
CCOC(=O)[C@]([N-]c1ccc(F)c(F)c1)([N-]S(=O)(=O)c1ccccc1)C(F)(F)F	ZINC000002315036	569272310	/nfs/dbraw/zinc/27/23/10/569272310.db2.gz	BISMBIBXJLULPL-INIZCTEOSA-N	-2	3	438.374	3.177	50	0		IGAAHL
Cc1c(CC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c(=O)oc2cc([O-])cc([O-])c12	ZINC000009418679	569532457	/nfs/dbraw/zinc/53/24/57/569532457.db2.gz	NTKTVCOKPHLGTG-UHFFFAOYSA-N	-2	3	441.827	3.075	50	0		IGAAHL
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1	ZINC000001167514	555665029	/nfs/dbraw/zinc/66/50/29/555665029.db2.gz	KQKKZMKQWANHAW-UHFFFAOYSA-N	-2	3	445.522	3.247	50	0		IGAAHL
CCOC(=O)[C@H]1CCCN(c2ccc([N-]S(=O)(=O)c3ccccc3C)cc2C(=O)[O-])C1	ZINC000033253407	556893787	/nfs/dbraw/zinc/89/37/87/556893787.db2.gz	SXJVBKKRVMPKFM-INIZCTEOSA-N	-2	3	446.525	3.274	50	0		IGAAHL
CCOC(=O)c1[n-]n(-c2ccccc2C)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000101134312	557261715	/nfs/dbraw/zinc/26/17/15/557261715.db2.gz	FMAQXTRIAGZPLV-HKUYNNGSSA-N	-2	3	425.872	3.254	50	0		IGAAHL
COC(=O)c1[n-]n(-c2ccccc2Cl)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000101134249	557261777	/nfs/dbraw/zinc/26/17/77/557261777.db2.gz	RTAWYOCWMFSMSA-RDJZCZTQSA-N	-2	3	432.263	3.209	50	0		IGAAHL
COc1cc(/C=C2/C(=O)N(CCC(=O)[O-])C(=O)c3ccccc32)cc(Br)c1[O-]	ZINC000032743609	557314593	/nfs/dbraw/zinc/31/45/93/557314593.db2.gz	NUDZIQZQKXQFMY-RIYZIHGNSA-N	-2	3	446.253	3.161	50	0		IGAAHL
O=C([O-])c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)cc1	ZINC000013662019	557836573	/nfs/dbraw/zinc/83/65/73/557836573.db2.gz	JCOYCMOSSRINSX-PCCBWWKXSA-N	-2	3	430.416	3.142	50	0		IGAAHL
CSc1cccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)N4CCCC4)c(=O)c3c2)c1	ZINC000008595192	562953379	/nfs/dbraw/zinc/95/33/79/562953379.db2.gz	MDJIREBTYMJLMN-UHFFFAOYSA-N	-2	3	443.550	3.287	50	0		IGAAHL
CSc1cccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)N4CCCC4)c([O-])c3c2)c1	ZINC000008595192	562953380	/nfs/dbraw/zinc/95/33/80/562953380.db2.gz	MDJIREBTYMJLMN-UHFFFAOYSA-N	-2	3	443.550	3.287	50	0		IGAAHL
O=C([N-]c1ccccc1F)c1nnc(C[N-]S(=O)(=O)c2cccc(Cl)c2)s1	ZINC000064991778	569084703	/nfs/dbraw/zinc/08/47/03/569084703.db2.gz	MSKUMLMCTFVHKP-UHFFFAOYSA-N	-2	3	426.882	3.061	50	0		IGAAHL
Cn1cc([C@@H](C(=O)[O-])N2CCN(c3ccc(Cl)cc3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036360947	569086686	/nfs/dbraw/zinc/08/66/86/569086686.db2.gz	WYFOGMVJJGXCJQ-FQEVSTJZSA-N	-2	3	427.888	3.478	50	0		IGAAHL
Cn1nc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c(Cl)c1Cl	ZINC000036615077	569122375	/nfs/dbraw/zinc/12/23/75/569122375.db2.gz	JYVXBCCCGNODKD-UHFFFAOYSA-N	-2	3	433.100	3.210	50	0		IGAAHL
Cc1c([O-])ccc2c(C)c(CC(=O)N3CCC(C(=O)[O-])(c4ccccc4)CC3)c(=O)oc12	ZINC000002156935	569187593	/nfs/dbraw/zinc/18/75/93/569187593.db2.gz	BSISNVIAHSCOHQ-UHFFFAOYSA-N	-2	3	435.476	3.303	50	0		IGAAHL
CCNC(=O)N1CCc2ccc([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3[O-])cc21	ZINC000253424469	569267096	/nfs/dbraw/zinc/26/70/96/569267096.db2.gz	GRFFNNYGQGTKCL-UHFFFAOYSA-N	-2	3	429.420	3.304	50	0		IGAAHL
CCCN1CCN(c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2C(=O)[O-])CC1	ZINC000058009142	569444766	/nfs/dbraw/zinc/44/47/66/569444766.db2.gz	MCKUNMZSJWLMTK-UHFFFAOYSA-N	-2	3	443.978	3.433	50	0		IGAAHL
CCN1CCN(c2ccc([N-]S(=O)(=O)c3ccc(F)cc3Cl)c(C(=O)[O-])c2)CC1	ZINC000033260006	521699286	/nfs/dbraw/zinc/69/92/86/521699286.db2.gz	FRNZZIQFHIPRBW-UHFFFAOYSA-N	-2	3	441.912	3.120	50	0		IGAAHL
Cc1cc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)nc(C)n1	ZINC000013058969	556450148	/nfs/dbraw/zinc/45/01/48/556450148.db2.gz	KJDHMXBFBVOAIU-UHFFFAOYSA-N	-2	3	446.554	3.312	50	0		IGAAHL
CCOC(=O)[C@@H]1CCCN(c2ccc([N-]S(=O)(=O)c3ccccc3C)cc2C(=O)[O-])C1	ZINC000033253406	556893777	/nfs/dbraw/zinc/89/37/77/556893777.db2.gz	SXJVBKKRVMPKFM-MRXNPFEDSA-N	-2	3	446.525	3.274	50	0		IGAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)cc1	ZINC000000696109	557137495	/nfs/dbraw/zinc/13/74/95/557137495.db2.gz	KDXHPVYFTKEVNA-UHFFFAOYSA-N	-2	3	432.527	3.003	50	0		IGAAHL
COc1cc(Br)c(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])cc1OC	ZINC000083919948	568786126	/nfs/dbraw/zinc/78/61/26/568786126.db2.gz	DVKMQQONAGMISQ-UHFFFAOYSA-N	-2	3	434.239	3.104	50	0		IGAAHL
COc1ccc(-n2c([O-])c([C@@H]3OC(=O)c4c3ccc(OC)c4OC)c(=O)[n-]c2=S)cc1	ZINC000002119081	569182670	/nfs/dbraw/zinc/18/26/70/569182670.db2.gz	KDLXEDNOLRKPFB-MRXNPFEDSA-N	-2	3	442.449	3.299	50	0		IGAAHL
Cc1nn(CCC(=O)[O-])c(C)c1[C@@H]1SC(C)=Nc2c1c(=O)[n-]n2[C@H]1CCOC(C)(C)C1	ZINC000096118275	569384471	/nfs/dbraw/zinc/38/44/71/569384471.db2.gz	OPXBQHXVUWXFTB-KSSFIOAISA-N	-2	3	447.561	3.481	50	0		IGAAHL
CCOC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c([O-])n(-c3ccccc3Cl)c(=O)c1-2	ZINC000096247029	569387996	/nfs/dbraw/zinc/38/79/96/569387996.db2.gz	AASDWVXDTVGSHB-WBVHZDCISA-N	-2	3	432.263	3.291	50	0		IGAAHL
COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1c(=O)[n-]c(=S)n(Cc2ccccc2)c1[O-]	ZINC000008790648	569476127	/nfs/dbraw/zinc/47/61/27/569476127.db2.gz	NHYCTEIMCVWUKB-FQEVSTJZSA-N	-2	3	434.521	3.385	50	0		IGAAHL
COc1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000009125507	569504626	/nfs/dbraw/zinc/50/46/26/569504626.db2.gz	KXZIWYAAHYTRNR-UHFFFAOYSA-N	-2	3	436.486	3.436	50	0		IGAAHL
CC[C@H](C)NC(=O)c1c[n-]c2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2c1=O	ZINC000009680142	569560086	/nfs/dbraw/zinc/56/00/86/569560086.db2.gz	CRZSVVOATJWCKO-HNNXBMFYSA-N	-2	3	427.526	3.474	50	0		IGAAHL
CC[C@H](C)NC(=O)c1cnc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2c1[O-]	ZINC000009680142	569560087	/nfs/dbraw/zinc/56/00/87/569560087.db2.gz	CRZSVVOATJWCKO-HNNXBMFYSA-N	-2	3	427.526	3.474	50	0		IGAAHL
CCOC(=O)[C@@]([N-]c1cccc(F)c1)([N-]S(=O)(=O)c1ccc(C)cc1)C(F)(F)F	ZINC000003103629	555887371	/nfs/dbraw/zinc/88/73/71/555887371.db2.gz	URKLQXBCLHJGLL-QGZVFWFLSA-N	-2	3	434.411	3.346	50	0		IGAAHL
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1	ZINC000015244988	556513526	/nfs/dbraw/zinc/51/35/26/556513526.db2.gz	AQXQIQOIBXTNAR-UHFFFAOYSA-N	-2	3	446.506	3.075	50	0		IGAAHL
CCOC(=O)[C@@H]1CCCN(c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2C(=O)[O-])C1	ZINC000033253382	556893767	/nfs/dbraw/zinc/89/37/67/556893767.db2.gz	TZFNYJHUWVAHQD-MRXNPFEDSA-N	-2	3	446.525	3.274	50	0		IGAAHL
COc1cc(OC)cc(-n2c(=O)c3[n-][n-]n(-c4ccc(Br)c(C)c4)c=3c2=O)c1	ZINC000023125753	557007406	/nfs/dbraw/zinc/00/74/06/557007406.db2.gz	PGLSGQMDJCCVTH-SJORKVTESA-N	-2	3	445.273	3.273	50	0		IGAAHL
CCOC(=O)c1[n-]n(-c2cccc(C)c2)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000101138696	557261737	/nfs/dbraw/zinc/26/17/37/557261737.db2.gz	ZRHQREHRPPFCNI-IEBWSBKVSA-N	-2	3	425.872	3.254	50	0		IGAAHL
COC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000101253754	557265010	/nfs/dbraw/zinc/26/50/10/557265010.db2.gz	BZVUGXRRLDLHJB-WBVHZDCISA-N	-2	3	432.263	3.209	50	0		IGAAHL
Cc1ccc([O-])c(S(=O)(=O)[N-]c2cccnc2N2C(=O)O[C@@H](C(F)(F)F)[C@H]2C)c1	ZINC000089624163	569160092	/nfs/dbraw/zinc/16/00/92/569160092.db2.gz	FXMXOIKRCSSHEW-QMTHXVAHSA-N	-2	3	431.392	3.172	50	0		IGAAHL
COc1ccc(-c2n[n-]c(NC(=O)Cc3c(C)c4cc(Cl)c([O-])cc4oc3=O)n2)cc1	ZINC000009303811	569521075	/nfs/dbraw/zinc/52/10/75/569521075.db2.gz	ZITLGDFBEQNIIP-UHFFFAOYSA-N	-2	3	440.843	3.435	50	0		IGAAHL
O=C([N-]c1cc(F)ccc1F)c1ccc(S(=O)(=O)[N-]Cc2ccc3c(c2)OCO3)o1	ZINC000035597459	527127126	/nfs/dbraw/zinc/12/71/26/527127126.db2.gz	NWYHKYCATHYYBW-UHFFFAOYSA-N	-2	3	436.392	3.017	50	0		IGAAHL
COc1ccc(S(=O)(=O)[N-]c2cccc([N-]S(=O)(=O)c3ccc(OC)cc3)c2)cc1	ZINC000000694710	555542592	/nfs/dbraw/zinc/54/25/92/555542592.db2.gz	DIVNJCISTBBBBN-UHFFFAOYSA-N	-2	3	448.522	3.305	50	0		IGAAHL
CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)c(C(=O)[O-])c2)cc1	ZINC000064580548	568934576	/nfs/dbraw/zinc/93/45/76/568934576.db2.gz	ZIUCXSHIRDWMGD-UHFFFAOYSA-N	-2	3	431.558	3.136	50	0		IGAAHL
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)P(=O)([O-])[O-]	ZINC000027023868	568939260	/nfs/dbraw/zinc/93/92/60/568939260.db2.gz	YQRZKMTZQDZHMU-VQTJNVASSA-N	-2	3	448.456	3.190	50	0		IGAAHL
Cn1cc([C@@H](C(=O)[O-])N2CCN(C/C=C/c3ccccc3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036360859	569086694	/nfs/dbraw/zinc/08/66/94/569086694.db2.gz	XCXDIZSDLJDLRM-GPVJQRHHSA-N	-2	3	433.508	3.333	50	0		IGAAHL
COc1cc(Br)c(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])cc1OC	ZINC000089626553	569160003	/nfs/dbraw/zinc/16/00/03/569160003.db2.gz	STTFMDBHXSFHKL-UHFFFAOYSA-N	-2	3	448.266	3.413	50	0		IGAAHL
CCOC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000012436792	520545399	/nfs/dbraw/zinc/54/53/99/520545399.db2.gz	SKGVCCIEXDDZRR-RDJZCZTQSA-N	-2	3	432.263	3.291	50	0		IGAAHL
CCN(Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1)C(=O)C(F)(F)F	ZINC000032833767	556417774	/nfs/dbraw/zinc/41/77/74/556417774.db2.gz	YEASYTISXZKLHL-UHFFFAOYSA-N	-2	3	444.431	3.405	50	0		IGAAHL
CC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000018203786	557251509	/nfs/dbraw/zinc/25/15/09/557251509.db2.gz	AFWBWXQHEHEVKX-DOTOQJQBSA-N	-2	3	446.688	3.426	50	0		IGAAHL
Cn1cc([C@@H](C(=O)[O-])N2CCN(c3cccc(Cl)c3)CC2)c2ccc(C(=O)[O-])cc21	ZINC000036354735	569084201	/nfs/dbraw/zinc/08/42/01/569084201.db2.gz	AQQANWGKVHJTBF-FQEVSTJZSA-N	-2	3	427.888	3.478	50	0		IGAAHL
Cc1c([O-])ccc2c(C)c(CC(=O)N[C@@H](CSCc3ccccc3)C(=O)[O-])c(=O)oc12	ZINC000002100448	569179713	/nfs/dbraw/zinc/17/97/13/569179713.db2.gz	SJHIKMYEXXOZJT-SFHVURJKSA-N	-2	3	441.505	3.161	50	0		IGAAHL
COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2C(=O)[O-])cc1	ZINC000230036400	569418151	/nfs/dbraw/zinc/41/81/51/569418151.db2.gz	IJYVDSXEAORJEH-BHDDXSALSA-N	-2	3	444.443	3.445	50	0		IGAAHL
Cc1c(CC(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c(=O)oc2cc([O-])cc([O-])c12	ZINC000009419706	569532565	/nfs/dbraw/zinc/53/25/65/569532565.db2.gz	ACAAWHCCLAGTEH-UHFFFAOYSA-N	-2	3	443.883	3.219	50	0		IGAAHL
COc1cc2c(c(OC)c1[O-])-c1ccc(OC)c(=O)cc1[C@H]([N-]C(=O)C(F)(F)F)CC2	ZINC000001576494	555703990	/nfs/dbraw/zinc/70/39/90/555703990.db2.gz	BXGLTIXFXLUVOH-CYBMUJFWSA-N	-2	3	439.386	3.111	50	0		IGAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)c(Cl)c1	ZINC000025367721	557206018	/nfs/dbraw/zinc/20/60/18/557206018.db2.gz	UNZYSVILIOYWNW-UHFFFAOYSA-N	-2	3	442.868	3.290	50	0		IGAAHL
COC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000101130538	557261749	/nfs/dbraw/zinc/26/17/49/557261749.db2.gz	SCHNXELDNRZMGQ-WBVHZDCISA-N	-2	3	432.263	3.209	50	0		IGAAHL
Cc1c(CC(=O)NC[C@H](CC(=O)[O-])c2ccc(Cl)cc2)c(=O)oc2cc([O-])cc([O-])c12	ZINC000043746729	568896840	/nfs/dbraw/zinc/89/68/40/568896840.db2.gz	VWAVXMJQGMVOMG-ZDUSSCGKSA-N	-3	3	445.855	3.083	50	0		IGAAHL
Cn1cc([C@H](C(=O)[O-])N2CCN(c3cccc(Cl)c3)CC2)c2ccc(C(=O)[O-])cc21	ZINC000036354737	569084234	/nfs/dbraw/zinc/08/42/34/569084234.db2.gz	AQQANWGKVHJTBF-HXUWFJFHSA-N	-2	3	427.888	3.478	50	0		IGAAHL
O=C([O-])CCn1cc([C@H](C(=O)[O-])N2CCN(c3ccc(F)cc3)CC2)c2ccc(F)cc21	ZINC000036358591	569085306	/nfs/dbraw/zinc/08/53/06/569085306.db2.gz	GJBALVYIXNUDQK-JOCHJYFZSA-N	-2	3	443.450	3.342	50	0		IGAAHL
COc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)c([N-]S(=O)(=O)C(F)F)c1	ZINC000095445383	569367079	/nfs/dbraw/zinc/36/70/79/569367079.db2.gz	QHPBZBVVUVJTLU-UHFFFAOYSA-N	-2	3	426.850	3.114	50	0		IGAAHL
CCOC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3ccccc3Cl)c(=O)c1-2	ZINC000096247031	569387972	/nfs/dbraw/zinc/38/79/72/569387972.db2.gz	UJFAVKWSGGPLPF-NVXWUHKLSA-N	-2	3	432.263	3.291	50	0		IGAAHL
COC(=O)c1[n-]n(-c2ccccc2Cl)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000009157935	569508495	/nfs/dbraw/zinc/50/84/95/569508495.db2.gz	RTAWYOCWMFSMSA-DOTOQJQBSA-N	-2	3	432.263	3.209	50	0		IGAAHL
COc1ccccc1S(=O)(=O)[N-]c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1	ZINC000009224145	569513113	/nfs/dbraw/zinc/51/31/13/569513113.db2.gz	GNZLXIKVBGTSLM-UHFFFAOYSA-N	-2	3	436.486	3.436	50	0		IGAAHL
CCOC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c([O-])n(-c3ccccc3Cl)c(=O)c1-2	ZINC000012436785	520544858	/nfs/dbraw/zinc/54/48/58/520544858.db2.gz	AASDWVXDTVGSHB-DOTOQJQBSA-N	-2	3	432.263	3.291	50	0		IGAAHL
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])cc2)cc1	ZINC000001088069	555627031	/nfs/dbraw/zinc/62/70/31/555627031.db2.gz	IHZNEGNAWUEPCJ-MOPGFXCFSA-N	-2	3	432.498	3.326	50	0		IGAAHL
CCOC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000100737717	556659222	/nfs/dbraw/zinc/65/92/22/556659222.db2.gz	SKGVCCIEXDDZRR-NVXWUHKLSA-N	-2	3	432.263	3.291	50	0		IGAAHL
CCOC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3cccc(Cl)c3)c(=O)c1-2	ZINC000100741649	556659977	/nfs/dbraw/zinc/65/99/77/556659977.db2.gz	NOZYYINCPMRNJH-NVXWUHKLSA-N	-2	3	432.263	3.291	50	0		IGAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3OC)cc2)cc1	ZINC000019647365	556840887	/nfs/dbraw/zinc/84/08/87/556840887.db2.gz	FORKORSEQQKGKB-UHFFFAOYSA-N	-2	3	448.522	3.305	50	0		IGAAHL
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)P(=O)([O-])[O-]	ZINC000027023853	568939284	/nfs/dbraw/zinc/93/92/84/568939284.db2.gz	YQRZKMTZQDZHMU-UXHICEINSA-N	-2	3	448.456	3.190	50	0		IGAAHL
COc1ccc2c(c1OC)C(=O)O[C@H]2c1c(=O)[n-]c(=S)n(-c2ccc(C)cc2)c1[O-]	ZINC000008573491	569469189	/nfs/dbraw/zinc/46/91/89/569469189.db2.gz	RZUSSKFFHHTAOX-MRXNPFEDSA-N	-2	3	426.450	3.186	50	0		IGAAHL
O=C([O-])c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)cc1	ZINC000009427443	569533373	/nfs/dbraw/zinc/53/33/73/569533373.db2.gz	JCOYCMOSSRINSX-NJDAHSKKSA-N	-2	3	430.416	3.142	50	0		IGAAHL
Cc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)c(C)s1	ZINC000028809517	556461411	/nfs/dbraw/zinc/46/14/11/556461411.db2.gz	KQYWHVIMYOAMMD-UHFFFAOYSA-N	-2	3	428.479	3.006	50	0		IGAAHL
CCOC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000100563725	556620743	/nfs/dbraw/zinc/62/07/43/556620743.db2.gz	VCFSAPQHUUBITR-WBVHZDCISA-N	-2	3	432.263	3.291	50	0		IGAAHL
O=S(=O)([N-]c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1	ZINC000000802961	557220909	/nfs/dbraw/zinc/22/09/09/557220909.db2.gz	PPRUJQQBTCEJNY-UHFFFAOYSA-N	-2	3	446.506	3.059	50	0		IGAAHL
CCOC(=O)[C@@H]1CCCN(c2ccc([N-]S(=O)(=O)c3ccccc3C)c(C(=O)[O-])c2)C1	ZINC000033007352	557320644	/nfs/dbraw/zinc/32/06/44/557320644.db2.gz	UALYLIIJXHJAMJ-MRXNPFEDSA-N	-2	3	446.525	3.274	50	0		IGAAHL
Cc1c([O-])ccc2c(C)c(CCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])c(=O)oc12	ZINC000002102352	569179803	/nfs/dbraw/zinc/17/98/03/569179803.db2.gz	WOWPBVQNTGJSIH-FQEVSTJZSA-N	-2	3	448.475	3.341	50	0		IGAAHL
CC(C)Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(C)CC2)cc1	ZINC000058009247	569444705	/nfs/dbraw/zinc/44/47/05/569444705.db2.gz	YSCCKHDOTSFQGB-UHFFFAOYSA-N	-2	3	431.558	3.136	50	0		IGAAHL
CN1CCN(c2ccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2C(=O)[O-])CC1	ZINC000058009117	569444732	/nfs/dbraw/zinc/44/47/32/569444732.db2.gz	BMJOPZWWTHYWDT-UHFFFAOYSA-N	-2	3	444.340	3.244	50	0		IGAAHL