smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1sc2[n-]c(C(=Cc3ccc(C(=O)[O-])cc3)C(=O)N3CCCC3)nc(=O)c2c1C	ZINC000008745063	557804684	/nfs/dbraw/zinc/80/46/84/557804684.db2.gz	KJMUZHCZSVGSHZ-LFIBNONCSA-N	-2	3	423.494	3.463	50	0		HGAAHL
COC(=O)c1cccc(-c2ccc(C(c3c(C)[n-][nH]c3=O)c3c(C)[n-][nH]c3=O)o2)c1	ZINC000019974282	558317352	/nfs/dbraw/zinc/31/73/52/558317352.db2.gz	XHCYOXYTVCQWBK-UHFFFAOYSA-N	-2	3	408.414	3.388	50	0		HGAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC[C@H](C)C3)cc2C(=O)[O-])cc1	ZINC000033007155	558827960	/nfs/dbraw/zinc/82/79/60/558827960.db2.gz	BGRUTNZKPMDGKM-AWEZNQCLSA-N	-2	3	404.488	3.431	50	0		HGAAHL
CCN(CCN(C)C)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)cc(C)c1	ZINC000033253996	558922151	/nfs/dbraw/zinc/92/21/51/558922151.db2.gz	DHFGSGMZHQWOIZ-UHFFFAOYSA-N	-2	3	419.547	3.190	50	0		HGAAHL
CC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3ccccc3Cl)c(=O)c1-2	ZINC000100077704	559125273	/nfs/dbraw/zinc/12/52/73/559125273.db2.gz	KAXLLGBUNXXNSL-WBVHZDCISA-N	-2	3	402.237	3.317	50	0		HGAAHL
CCCCn1c([O-])c(C2=NN(C(C)=O)[C@@H](c3ccc(OC)cc3)C2)c(=O)[n-]c1=S	ZINC000101456285	560795317	/nfs/dbraw/zinc/79/53/17/560795317.db2.gz	YFDAALMWDKBKKS-MRXNPFEDSA-N	-2	3	416.503	3.118	50	0		HGAAHL
COc1ccc([N-]S(=O)(=O)c2ccc([O-])c(NC(=O)c3cccc(C)n3)c2)cc1	ZINC000012521151	568841725	/nfs/dbraw/zinc/84/17/25/568841725.db2.gz	YAIXJOPAXASFFG-UHFFFAOYSA-N	-2	3	413.455	3.157	50	0		HGAAHL
CC1CCC(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)(C(=O)[O-])CC1	ZINC000170592073	569240933	/nfs/dbraw/zinc/24/09/33/569240933.db2.gz	HCSCNAYSRUTSGT-UHFFFAOYSA-N	-2	3	407.264	3.054	50	0		HGAAHL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)NN=c2[n-]cc(C(F)(F)F)cc2Cl)c1C	ZINC000008851115	571126866	/nfs/dbraw/zinc/12/68/66/571126866.db2.gz	RTCUEXNAXOIXAJ-UHFFFAOYSA-N	-2	3	423.800	3.374	50	0		HGAAHL
CCN1CCc2c3ccccc3[nH]c2[C@H]1c1c([O-])nc([O-])n(-c2ccccc2C)c1=O	ZINC000008994702	571208455	/nfs/dbraw/zinc/20/84/55/571208455.db2.gz	DQYDWGPNRNFYTM-OAQYLSRUSA-N	-2	3	416.481	3.401	50	0	biogenic	HGAAHL
CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(N3C[C@@H](C(=O)[O-])CC3=O)cc2)cc1	ZINC000032081200	519038954	/nfs/dbraw/zinc/03/89/54/519038954.db2.gz	WSBGHVJCVDZJLE-AWEZNQCLSA-N	-2	3	416.499	3.222	50	0		HGAAHL
O=S(=O)([N-]c1ccc(F)c(C(F)(F)F)c1)c1ccc(Cl)c(-c2nnn[n-]2)c1	ZINC000072301309	558751320	/nfs/dbraw/zinc/75/13/20/558751320.db2.gz	BDCFRTLGMWXWEN-UHFFFAOYSA-N	-2	3	421.763	3.479	50	0		HGAAHL
O=S(=O)([N-]c1ccc(F)c(C(F)(F)F)c1)c1ccc(Cl)c(-c2nn[n-]n2)c1	ZINC000072301309	558751322	/nfs/dbraw/zinc/75/13/22/558751322.db2.gz	BDCFRTLGMWXWEN-UHFFFAOYSA-N	-2	3	421.763	3.479	50	0		HGAAHL
CCCCn1c([O-])c(C2=NN(C(=O)CC)[C@@H](c3ccccc3)C2)c(=O)[n-]c1=S	ZINC000101495277	560796319	/nfs/dbraw/zinc/79/63/19/560796319.db2.gz	IWEZOTWQYAZHNS-OAHLLOKOSA-N	-2	3	400.504	3.499	50	0		HGAAHL
COc1cc(F)c([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)cc1OC	ZINC000083919954	568926524	/nfs/dbraw/zinc/92/65/24/568926524.db2.gz	HLECTISUGBANME-UHFFFAOYSA-N	-2	3	407.778	3.134	50	0		HGAAHL
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1Br	ZINC000054294828	569070047	/nfs/dbraw/zinc/07/00/47/569070047.db2.gz	LTBDKSDDJJJOBL-UHFFFAOYSA-N	-2	3	414.277	3.194	50	0		HGAAHL
CCN1CCN([C@H](C(=O)[O-])c2cn(Cc3ccccc3)c3ccc(C(=O)[O-])cc23)CC1	ZINC000036353124	569147544	/nfs/dbraw/zinc/14/75/44/569147544.db2.gz	YYHIJXYAODLUGM-QFIPXVFZSA-N	-2	3	421.497	3.151	50	0		HGAAHL
CC1(C)CC(=O)c2c([O-])cc(OCC(=O)NCC3(CC(=O)[O-])CCCCC3)cc2O1	ZINC000012891577	569404570	/nfs/dbraw/zinc/40/45/70/569404570.db2.gz	UQOVIMOWIFBSSG-UHFFFAOYSA-N	-2	3	419.474	3.056	50	0	biogenic	HGAAHL
CCN(CCN(C)C)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)ccc1C	ZINC000033253992	558922259	/nfs/dbraw/zinc/92/22/59/558922259.db2.gz	FTQINYKBXHSXPQ-UHFFFAOYSA-N	-2	3	423.510	3.021	50	0		HGAAHL
CC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c([O-])n(-c3ccccc3Cl)c(=O)c1-2	ZINC000100746134	559261918	/nfs/dbraw/zinc/26/19/18/559261918.db2.gz	DQHHZDFTNOCULU-NVXWUHKLSA-N	-2	3	402.237	3.317	50	0		HGAAHL
Cc1cccc(N2CCN([C@@H](C(=O)[O-])c3cn(C)c4cc(C(=O)[O-])ccc34)CC2)c1C	ZINC000036353689	569147818	/nfs/dbraw/zinc/14/78/18/569147818.db2.gz	SQYJSHXOWHJEKY-JOCHJYFZSA-N	-2	3	421.497	3.441	50	0		HGAAHL
Cc1cccc(N2CCN([C@H](C(=O)[O-])c3cn(C)c4ccc(C(=O)[O-])cc34)CC2)c1C	ZINC000036366640	569152689	/nfs/dbraw/zinc/15/26/89/569152689.db2.gz	GKBRTDDJXFLSDX-QFIPXVFZSA-N	-2	3	421.497	3.441	50	0		HGAAHL
CCN1CCc2c3ccccc3[nH]c2[C@@H]1c1c([O-])nc([O-])n(-c2ccccc2C)c1=O	ZINC000008994699	571208492	/nfs/dbraw/zinc/20/84/92/571208492.db2.gz	DQYDWGPNRNFYTM-NRFANRHFSA-N	-2	3	416.481	3.401	50	0	biogenic	HGAAHL
O=C([O-])CCc1ccc(S(=O)(=O)NN=c2[n-]cc(C(F)(F)F)cc2Cl)cc1	ZINC000020627305	558394643	/nfs/dbraw/zinc/39/46/43/558394643.db2.gz	UJHZIMAKJRQECY-UHFFFAOYSA-N	-2	3	423.800	3.076	50	0		HGAAHL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCCCO2	ZINC000013278750	558528608	/nfs/dbraw/zinc/52/86/08/558528608.db2.gz	PWONGPVYXISYKA-UHFFFAOYSA-N	-2	3	413.835	3.009	50	0		HGAAHL
CCCCCCn1c([O-])c([C@@H]2NCCc3cc(OC)c(OC)cc32)c(=O)[n-]c1=S	ZINC000017196096	560703531	/nfs/dbraw/zinc/70/35/31/560703531.db2.gz	VVDLPTYJHPVLOF-GOSISDBHSA-N	-2	3	419.547	3.444	50	0		HGAAHL
COc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)cc1OC	ZINC000101260325	560789764	/nfs/dbraw/zinc/78/97/64/560789764.db2.gz	XHDUYLPRWODJIZ-DLBZAZTESA-N	-2	3	400.822	3.163	50	0		HGAAHL
CN(C)c1ccc2c3c1c(N(C)C)ccc3[C@@]([O-])(C(F)(F)F)O[C@@]2([O-])C(F)(F)F	ZINC000016034494	569028043	/nfs/dbraw/zinc/02/80/43/569028043.db2.gz	SXCCOVAVNCTXKR-IYBDPMFKSA-N	-2	3	424.341	3.417	50	0		HGAAHL
Cc1c([O-])ccc2c(C)c(CCC(=O)NCC3CCC(C(=O)[O-])CC3)c(=O)oc12	ZINC000002096750	569281015	/nfs/dbraw/zinc/28/10/15/569281015.db2.gz	CCOOPZMQWBKIGQ-UHFFFAOYSA-N	-2	3	401.459	3.055	50	0	biogenic	HGAAHL
Cc1c(CC(=O)N[C@@H](C)Cc2c[nH]c3ccccc23)c(=O)oc2cc([O-])cc([O-])c12	ZINC000008764571	571115096	/nfs/dbraw/zinc/11/50/96/571115096.db2.gz	WEKDSHIEBDHNIT-LBPRGKRZSA-N	-2	3	406.438	3.284	50	0	biogenic	HGAAHL
Cc1ccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)c(Br)c1	ZINC000058391574	558923396	/nfs/dbraw/zinc/92/33/96/558923396.db2.gz	BJDKCCDESHLBQH-UHFFFAOYSA-N	-2	3	400.250	3.271	50	0		HGAAHL
O=c1[n-]c(=S)n(-c2ccccc2F)c([O-])c1[C@H]1NCCc2c3ccccc3[nH]c21	ZINC000100755812	559263689	/nfs/dbraw/zinc/26/36/89/559263689.db2.gz	GDKSMCSVPZODQG-GOSISDBHSA-N	-2	3	408.458	3.456	50	0	biogenic	HGAAHL
CCCN1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccccc2C)CC1	ZINC000058009327	568875332	/nfs/dbraw/zinc/87/53/32/568875332.db2.gz	ULXPNSILJOVSTJ-UHFFFAOYSA-N	-2	3	417.531	3.026	50	0		HGAAHL
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ncccc3[O-])c2)cc1F	ZINC000036619911	569211832	/nfs/dbraw/zinc/21/18/32/569211832.db2.gz	WICONOWIUDXDNB-UHFFFAOYSA-N	-2	3	401.419	3.288	50	0		HGAAHL
COc1ccc(-c2n[n-]c(NC(=O)Cc3c(C)c4c([O-])cc(C)cc4oc3=O)n2)cc1	ZINC000009418586	557841801	/nfs/dbraw/zinc/84/18/01/557841801.db2.gz	MSGQUPOJGTUGLO-UHFFFAOYSA-N	-2	3	420.425	3.090	50	0		HGAAHL
O=C(c1cc2ccccc2cc1[O-])N1CCC([N-]S(=O)(=O)c2cccs2)CC1	ZINC000011450518	559076639	/nfs/dbraw/zinc/07/66/39/559076639.db2.gz	VHZVBOIZNSTZSW-UHFFFAOYSA-N	-2	3	416.524	3.190	50	0		HGAAHL
CCC(=O)N1N=C(c2c(=O)[n-]c(=S)n(C)c2[O-])C[C@@H]1c1ccc(C(C)C)cc1	ZINC000101765794	560799500	/nfs/dbraw/zinc/79/95/00/560799500.db2.gz	NEHBSKNGQSNHOQ-OAHLLOKOSA-N	-2	3	400.504	3.360	50	0		HGAAHL
COc1cc(OC)cc(-n2c(=O)c3[n-][n-]n(-c4ccc(C)c(Cl)c4)c=3c2=O)c1	ZINC000101260844	560851495	/nfs/dbraw/zinc/85/14/95/560851495.db2.gz	SQHSTPRZBMRPDB-IRXDYDNUSA-N	-2	3	400.822	3.163	50	0		HGAAHL
Cn1nccc1[C@@H](CC(=O)[O-])c1c([O-])ccc2c(=O)c(-c3ccc([O-])cc3)coc21	ZINC000096221784	568705328	/nfs/dbraw/zinc/70/53/28/568705328.db2.gz	BMBMWYUKUXZGSV-OAHLLOKOSA-N	-3	3	406.394	3.211	50	0	biogenic	HGAAHL
CC(=O)N1c2ccccc2N=C(c2c([O-])[n-]c(=O)sc2=O)C[C@@H]1c1ccc(C)o1	ZINC000035622688	569046614	/nfs/dbraw/zinc/04/66/14/569046614.db2.gz	FMEHZMQZCDMMHU-OAHLLOKOSA-N	-2	3	411.439	3.022	50	0		HGAAHL
Cc1cc(C)n(-c2nc3ccccc3[n-]c2=N[N-]S(=O)(=O)c2ccc(C)cc2)n1	ZINC000016310401	558785124	/nfs/dbraw/zinc/78/51/24/558785124.db2.gz	GVYWIGNNHBUMCT-UHFFFAOYSA-N	-2	3	408.487	3.046	50	0		HGAAHL
COc1cc(OC)cc(-n2[n-][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)c1	ZINC000023125656	559013732	/nfs/dbraw/zinc/01/37/32/559013732.db2.gz	XQSXTUQTFFYQMU-IAGOWNOFSA-N	-2	3	400.822	3.163	50	0		HGAAHL
O=S(=O)([N-]c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)c1ccccc1	ZINC000005602283	560629151	/nfs/dbraw/zinc/62/91/51/560629151.db2.gz	GKGUGTHOIQUYEO-UHFFFAOYSA-N	-2	3	406.460	3.427	50	0		HGAAHL
CCCCn1c([O-])c(C2=NN(C(C)=O)[C@H](c3ccc(OC)cc3)C2)c(=O)[n-]c1=S	ZINC000101456283	560795405	/nfs/dbraw/zinc/79/54/05/560795405.db2.gz	YFDAALMWDKBKKS-INIZCTEOSA-N	-2	3	416.503	3.118	50	0		HGAAHL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)ccc1Br	ZINC000013345777	560804759	/nfs/dbraw/zinc/80/47/59/560804759.db2.gz	HCQBEHRIXYJZDP-UHFFFAOYSA-N	-2	3	410.167	3.365	50	0		HGAAHL
COc1cc(OC)cc(-n2c(=O)c3[n-][n-]n(-c4cccc(C(F)(F)F)c4)c=3c2=O)c1	ZINC000102819497	560829492	/nfs/dbraw/zinc/82/94/92/560829492.db2.gz	OTSFNRCOYSYLBI-CVEARBPZSA-N	-2	3	420.347	3.220	50	0		HGAAHL
COc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)cc(Br)c1OC	ZINC000019886024	558302005	/nfs/dbraw/zinc/30/20/05/558302005.db2.gz	WVLQHCJHLDDHAS-UHFFFAOYSA-N	-2	3	423.267	3.121	50	0		HGAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC[C@@H](C)C3)cc2C(=O)[O-])cc1	ZINC000033007153	558827945	/nfs/dbraw/zinc/82/79/45/558827945.db2.gz	BGRUTNZKPMDGKM-CQSZACIVSA-N	-2	3	404.488	3.431	50	0		HGAAHL
CCN(CCN(C)C)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)c(C)c1	ZINC000033253983	558922305	/nfs/dbraw/zinc/92/23/05/558922305.db2.gz	VNNRQWPSWWQROS-UHFFFAOYSA-N	-2	3	419.547	3.190	50	0		HGAAHL
CC(=O)N1CCc2ccccc2[C@H]1c1c(=O)[n-]c(=S)n(Cc2ccccc2)c1[O-]	ZINC000100749947	559262469	/nfs/dbraw/zinc/26/24/69/559262469.db2.gz	YKUUXYWYCVWXNH-IBGZPJMESA-N	-2	3	407.495	3.154	50	0	biogenic	HGAAHL
O=c1[n-]c(=S)n(-c2ccc(F)cc2)c([O-])c1[C@@H]1NCCc2c3ccccc3[nH]c21	ZINC000100751532	559263227	/nfs/dbraw/zinc/26/32/27/559263227.db2.gz	YIABZRVLXBZQQX-SFHVURJKSA-N	-2	3	408.458	3.456	50	0	biogenic	HGAAHL
O=C([O-])c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2)cc1	ZINC000102762413	560826385	/nfs/dbraw/zinc/82/63/85/560826385.db2.gz	GGMRDPNNDBIXGV-NJDAHSKKSA-N	-2	3	414.417	3.436	50	0		HGAAHL
O=C([O-])CCCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1	ZINC000095970350	568671214	/nfs/dbraw/zinc/67/12/14/568671214.db2.gz	JRMJAUJKAGYSGP-UHFFFAOYSA-N	-2	3	408.451	3.001	50	0		HGAAHL
CCOC(=O)[C@]([N-]c1cccc(F)c1)([N-]S(=O)(=O)c1ccccc1)C(F)(F)F	ZINC000003028102	568841693	/nfs/dbraw/zinc/84/16/93/568841693.db2.gz	FMEDNYHANIYCGE-INIZCTEOSA-N	-2	3	420.384	3.038	50	0		HGAAHL
Cc1cccc(N2CCN(C(=O)Cc3c(C)c4c([O-])cc([O-])cc4oc3=O)CC2)c1C	ZINC000006660592	132312705	/nfs/dbraw/zinc/31/27/05/132312705.db2.gz	RVZSRJRAVHFVPQ-UHFFFAOYSA-N	-2	3	422.481	3.021	50	0		HGAAHL
CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(C(=O)[O-])c2)cc1	ZINC000032962220	519838722	/nfs/dbraw/zinc/83/87/22/519838722.db2.gz	UHYNRSKZYKGVNM-UHFFFAOYSA-N	-2	3	404.488	3.146	50	0		HGAAHL
COc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1	ZINC000001167279	557221921	/nfs/dbraw/zinc/22/19/21/557221921.db2.gz	PHYHBNBIYXWKGL-UHFFFAOYSA-N	-2	3	418.496	3.297	50	0		HGAAHL
COc1ccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc1	ZINC000002655734	557362696	/nfs/dbraw/zinc/36/26/96/557362696.db2.gz	GTIRTRWMHRGQSY-UHFFFAOYSA-N	-2	3	404.271	3.221	50	0		HGAAHL
COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2ccc3n[n-]nc3c2)c1	ZINC000022705515	557795753	/nfs/dbraw/zinc/79/57/53/557795753.db2.gz	KHVZBASNPUXFRW-UHFFFAOYSA-N	-2	3	423.454	3.020	50	0		HGAAHL
CCOc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)cc(Br)c1O	ZINC000019812094	558287212	/nfs/dbraw/zinc/28/72/12/558287212.db2.gz	YLKFFIGDKWMSKX-UHFFFAOYSA-N	-2	3	423.267	3.208	50	0		HGAAHL
COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)Cc2ccsc2)c1	ZINC000024926547	558621048	/nfs/dbraw/zinc/62/10/48/558621048.db2.gz	MJIQCILGVXXFPA-UHFFFAOYSA-N	-2	3	418.496	3.444	50	0		HGAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])cc2)cc1	ZINC000001083502	558775054	/nfs/dbraw/zinc/77/50/54/558775054.db2.gz	ZMGHLLPWDMAKED-MOPGFXCFSA-N	-2	3	414.483	3.401	50	0		HGAAHL
COc1cc(OC)cc(-n2c(=O)c3[n-][n-]n(-c4cccc(C(F)(F)F)c4)c=3c2=O)c1	ZINC000033114711	558876492	/nfs/dbraw/zinc/87/64/92/558876492.db2.gz	OTSFNRCOYSYLBI-JKSUJKDBSA-N	-2	3	420.347	3.220	50	0		HGAAHL
CC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c([O-])n(-c3ccccc3Cl)c(=O)c1-2	ZINC000004812493	559069564	/nfs/dbraw/zinc/06/95/64/559069564.db2.gz	DQHHZDFTNOCULU-WBVHZDCISA-N	-2	3	402.237	3.317	50	0		HGAAHL
CCOc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(C(F)(F)F)c2)cc1C(=O)[O-]	ZINC000079075855	559162307	/nfs/dbraw/zinc/16/23/07/559162307.db2.gz	OZCZPFAKCXECHO-UHFFFAOYSA-N	-3	3	405.350	3.309	50	0		HGAAHL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCSCC2)cc1C	ZINC000050534765	559187355	/nfs/dbraw/zinc/18/73/55/559187355.db2.gz	PEJAZMKQASAHLZ-UHFFFAOYSA-N	-2	3	406.529	3.356	50	0		HGAAHL
CCOc1c([O-])ccc(/C=C2\C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)c1[N+](=O)[O-]	ZINC000083292478	560691178	/nfs/dbraw/zinc/69/11/78/560691178.db2.gz	LHLONWXFDBTBPS-GDNBJRDFSA-N	-2	3	411.370	3.203	50	0		HGAAHL
O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)c1	ZINC000013278718	560804852	/nfs/dbraw/zinc/80/48/52/560804852.db2.gz	VKLGIENMZAJAKI-UHFFFAOYSA-N	-2	3	404.227	3.264	50	0		HGAAHL
COc1cc(OC)cc(-n2c(=O)c3[n-][n-]n(-c4cccc(C(F)(F)F)c4)c=3c2=O)c1	ZINC000102819498	560829509	/nfs/dbraw/zinc/82/95/09/560829509.db2.gz	OTSFNRCOYSYLBI-HZPDHXFCSA-N	-2	3	420.347	3.220	50	0		HGAAHL
CCN(CC)C(=O)c1c[n-]c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2c1=O	ZINC000004668612	558876929	/nfs/dbraw/zinc/87/69/29/558876929.db2.gz	CPBPMLOACMDTJE-UHFFFAOYSA-N	-2	3	413.499	3.119	50	0		HGAAHL
CCN(CC)C(=O)c1cnc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2c1[O-]	ZINC000004668612	558876930	/nfs/dbraw/zinc/87/69/30/558876930.db2.gz	CPBPMLOACMDTJE-UHFFFAOYSA-N	-2	3	413.499	3.119	50	0		HGAAHL
Cc1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)ccc1Br	ZINC000058377311	558922604	/nfs/dbraw/zinc/92/26/04/558922604.db2.gz	PJCMFQJHXPEORL-UHFFFAOYSA-N	-2	3	414.277	3.330	50	0		HGAAHL
CC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3cccc(Cl)c3)c(=O)c1-2	ZINC000100741301	559261255	/nfs/dbraw/zinc/26/12/55/559261255.db2.gz	KJWYRZHDCVSPKG-DOTOQJQBSA-N	-2	3	402.237	3.317	50	0		HGAAHL
CCCCn1c([O-])c([C@@H]2NCCc3c4cc(OC)ccc4[nH]c32)c(=O)[n-]c1=S	ZINC000003985165	568931153	/nfs/dbraw/zinc/93/11/53/568931153.db2.gz	XFYHOAUDFPRDPW-KRWDZBQOSA-N	-2	3	400.504	3.137	50	0	biogenic	HGAAHL
Cc1ccc(N2CCN([C@@H](C(=O)[O-])c3cn(CC(=O)[O-])c4ccccc34)CC2)c(C)c1	ZINC000036359069	569150398	/nfs/dbraw/zinc/15/03/98/569150398.db2.gz	QSEZSMOSDHMCON-HSZRJFAPSA-N	-2	3	421.497	3.291	50	0		HGAAHL
Cc1ccc(N2CCN([C@@H](C(=O)[O-])c3cn(C)c4cc(C(=O)[O-])ccc34)CC2)c(C)c1	ZINC000036367144	569152569	/nfs/dbraw/zinc/15/25/69/569152569.db2.gz	GKIBKBFCABJRAM-JOCHJYFZSA-N	-2	3	421.497	3.441	50	0		HGAAHL
Cc1c(CC(=O)N[C@H](C)Cc2c[nH]c3ccccc23)c(=O)oc2cc([O-])cc([O-])c12	ZINC000008764572	571114984	/nfs/dbraw/zinc/11/49/84/571114984.db2.gz	WEKDSHIEBDHNIT-GFCCVEGCSA-N	-2	3	406.438	3.284	50	0	biogenic	HGAAHL
COC(=O)c1ccccc1-c1ccc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)o1	ZINC000020027275	558322881	/nfs/dbraw/zinc/32/28/81/558322881.db2.gz	HHJADECMSYMEIJ-UHFFFAOYSA-N	-2	3	408.414	3.388	50	0		HGAAHL
O=C([O-])c1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(c1ccc([O-])cc1)C2=O	ZINC000012843289	558478652	/nfs/dbraw/zinc/47/86/52/558478652.db2.gz	WAEFRGQGIVESOV-UHFFFAOYSA-N	-2	3	402.362	3.143	50	0		HGAAHL
O=C(NCc1ccco1)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-]	ZINC000012995453	558498454	/nfs/dbraw/zinc/49/84/54/558498454.db2.gz	BKZMRZVOGDIYBY-UHFFFAOYSA-N	-2	3	406.847	3.369	50	0		HGAAHL
Cc1cc(N2CCSCC2)ccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC000060266497	558803760	/nfs/dbraw/zinc/80/37/60/558803760.db2.gz	ILVWRXGAVVXCNJ-UHFFFAOYSA-N	-2	3	420.556	3.366	50	0		HGAAHL
CC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3ccccc3Cl)c(=O)c1-2	ZINC000017782464	560728192	/nfs/dbraw/zinc/72/81/92/560728192.db2.gz	KAXLLGBUNXXNSL-DOTOQJQBSA-N	-2	3	402.237	3.317	50	0		HGAAHL
Cc1c(CC(=O)NCCc2c[nH]c3ccc(F)cc23)c(=O)oc2cc([O-])cc([O-])c12	ZINC000006759746	569113230	/nfs/dbraw/zinc/11/32/30/569113230.db2.gz	CAFSGNJIHWTWJR-UHFFFAOYSA-N	-2	3	410.401	3.034	50	0		HGAAHL
O=C1[N-]C(C(F)(F)F)(C(F)(F)F)c2c(=O)[n-]c(=S)n(Cc3ccccc3)c2N1	ZINC000001059932	569277093	/nfs/dbraw/zinc/27/70/93/569277093.db2.gz	OYOGXFCHDYFHRQ-UHFFFAOYSA-N	-2	3	424.326	3.409	50	0		HGAAHL
O=C1[N-]C(C(F)(F)F)(C(F)(F)F)c2c(=O)[n-]c(=S)n(-c3ccccc3)c2N1	ZINC000012377126	558392350	/nfs/dbraw/zinc/39/23/50/558392350.db2.gz	QSUSNUODLVWIRW-UHFFFAOYSA-N	-2	3	410.299	3.350	50	0		HGAAHL
Cc1cc(C(=O)Nc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)ccc2[O-])on1	ZINC000029698151	558719242	/nfs/dbraw/zinc/71/92/42/558719242.db2.gz	BRKURHIFTMDGNZ-UHFFFAOYSA-N	-2	3	407.835	3.395	50	0		HGAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])cc2)cc1	ZINC000001083500	558775121	/nfs/dbraw/zinc/77/51/21/558775121.db2.gz	ZMGHLLPWDMAKED-RTBURBONSA-N	-2	3	414.483	3.401	50	0		HGAAHL
CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(C(=O)[O-])c2)cc1	ZINC000033253664	558921970	/nfs/dbraw/zinc/92/19/70/558921970.db2.gz	YKGIOVOKIWRQDP-UHFFFAOYSA-N	-2	3	418.515	3.221	50	0		HGAAHL
O=c1[n-]c(=S)n(-c2ccccc2F)c([O-])c1[C@@H]1NCCc2c3ccccc3[nH]c21	ZINC000100755811	559263665	/nfs/dbraw/zinc/26/36/65/559263665.db2.gz	GDKSMCSVPZODQG-SFHVURJKSA-N	-2	3	408.458	3.456	50	0	biogenic	HGAAHL
Cc1cc(-n2[n-][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)ccc1Br	ZINC000101260629	560789992	/nfs/dbraw/zinc/78/99/92/560789992.db2.gz	ILDGNJMSYRLJCN-LSDHHAIUSA-N	-2	3	403.211	3.394	50	0		HGAAHL
COC(=O)C[C@H](c1cnn(C)c1)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21	ZINC000096115048	568694587	/nfs/dbraw/zinc/69/45/87/568694587.db2.gz	QPZFSZUCTXMANN-OAHLLOKOSA-N	-2	3	420.421	3.300	50	0	biogenic	HGAAHL
CCOC(=O)[C@@]([N-]c1cccc(F)c1)([N-]S(=O)(=O)c1ccccc1)C(F)(F)F	ZINC000003028100	568841590	/nfs/dbraw/zinc/84/15/90/568841590.db2.gz	FMEDNYHANIYCGE-MRXNPFEDSA-N	-2	3	420.384	3.038	50	0		HGAAHL
CCCN1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cccc(C)c2)CC1	ZINC000058009339	568875388	/nfs/dbraw/zinc/87/53/88/568875388.db2.gz	HRCRUEXQCQVOKW-UHFFFAOYSA-N	-2	3	417.531	3.026	50	0		HGAAHL
Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCC(C)CC2)cc1	ZINC000069516102	571228767	/nfs/dbraw/zinc/22/87/67/571228767.db2.gz	XVIWOMOGWGNZNB-UHFFFAOYSA-N	-2	3	404.488	3.436	50	0		HGAAHL
CC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3ccccc3Cl)c(=O)c1-2	ZINC000100077701	559125282	/nfs/dbraw/zinc/12/52/82/559125282.db2.gz	KAXLLGBUNXXNSL-NVXWUHKLSA-N	-2	3	402.237	3.317	50	0		HGAAHL
CC(=O)N1CCc2ccccc2[C@@H]1c1c(=O)[n-]c(=S)n(-c2ccccc2C)c1[O-]	ZINC000100925369	560763246	/nfs/dbraw/zinc/76/32/46/560763246.db2.gz	GCBKXCUUYWWXEB-LJQANCHMSA-N	-2	3	407.495	3.403	50	0		HGAAHL
Cc1cc(-n2[n-][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)ccc1Br	ZINC000101260637	560789936	/nfs/dbraw/zinc/78/99/36/560789936.db2.gz	ILDGNJMSYRLJCN-CABCVRRESA-N	-2	3	403.211	3.394	50	0		HGAAHL
CN(C)c1ccc2c3c(ccc(N(C)C)c13)[C@]([O-])(C(F)(F)F)O[C@@]2([O-])C(F)(F)F	ZINC000001410042	568929201	/nfs/dbraw/zinc/92/92/01/568929201.db2.gz	SXCCOVAVNCTXKR-HZPDHXFCSA-N	-2	3	424.341	3.417	50	0		HGAAHL
CC(=O)N1c2ccccc2N=C(c2c([O-])[n-]c(=O)sc2=O)C[C@H]1c1ccc(C)o1	ZINC000035622687	569046588	/nfs/dbraw/zinc/04/65/88/569046588.db2.gz	FMEHZMQZCDMMHU-HNNXBMFYSA-N	-2	3	411.439	3.022	50	0		HGAAHL
CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)c(C(=O)[O-])c2)cc1	ZINC000064580546	569068533	/nfs/dbraw/zinc/06/85/33/569068533.db2.gz	WCXOLKRNSRLYPC-UHFFFAOYSA-N	-2	3	417.531	3.061	50	0		HGAAHL
CCN1CCc2c3ccccc3[nH]c2[C@@H]1c1c([O-])nc([O-])n(-c2ccc(F)cc2)c1=O	ZINC000009013451	571210810	/nfs/dbraw/zinc/21/08/10/571210810.db2.gz	RBUQPRQQJVEJKH-FQEVSTJZSA-N	-2	3	420.444	3.232	50	0	biogenic	HGAAHL
O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(F)cc1	ZINC000001150308	557210642	/nfs/dbraw/zinc/21/06/42/557210642.db2.gz	JQXICUKFCUVLPZ-UHFFFAOYSA-N	-2	3	406.460	3.427	50	0		HGAAHL
CC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3cccc(Cl)c3)c(=O)c1-2	ZINC000004863241	559193338	/nfs/dbraw/zinc/19/33/38/559193338.db2.gz	KJWYRZHDCVSPKG-WBVHZDCISA-N	-2	3	402.237	3.317	50	0		HGAAHL
O=C([O-])c1cc(N2CCSCC2)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2	ZINC000095958212	568669615	/nfs/dbraw/zinc/66/96/15/568669615.db2.gz	OFXPIJIMNXHZOP-UHFFFAOYSA-N	-2	3	418.540	3.228	50	0		HGAAHL
CS(=O)(=O)[N-]c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1F	ZINC000012775099	568953882	/nfs/dbraw/zinc/95/38/82/568953882.db2.gz	IIPNSZRCBAMHRO-UHFFFAOYSA-N	-2	3	413.279	3.305	50	0		HGAAHL
Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1	ZINC000058432506	558926613	/nfs/dbraw/zinc/92/66/13/558926613.db2.gz	QFXMMXHQFVNLFH-UHFFFAOYSA-N	-2	3	414.277	3.330	50	0		HGAAHL
COc1cccc(-n2c(=O)c3[n-][n-]n(-c4ccc(Br)c(C)c4)c=3c2=O)c1	ZINC000023125737	559013769	/nfs/dbraw/zinc/01/37/69/559013769.db2.gz	QIUYJCCOYOOSHH-CVEARBPZSA-N	-2	3	415.247	3.264	50	0		HGAAHL
CCCCn1c([O-])c(C2=NN(C(C)=O)[C@@H](c3ccccc3OC)C2)c(=O)[n-]c1=S	ZINC000101456805	560795693	/nfs/dbraw/zinc/79/56/93/560795693.db2.gz	ZRVDZRQSMROLPV-OAHLLOKOSA-N	-2	3	416.503	3.118	50	0		HGAAHL
O=C([O-])c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2)cc1	ZINC000101521031	560796890	/nfs/dbraw/zinc/79/68/90/560796890.db2.gz	GGMRDPNNDBIXGV-PCCBWWKXSA-N	-2	3	414.417	3.436	50	0		HGAAHL
COC(=O)C[C@@H](c1cnn(C)c1)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21	ZINC000096115049	568694566	/nfs/dbraw/zinc/69/45/66/568694566.db2.gz	QPZFSZUCTXMANN-HNNXBMFYSA-N	-2	3	420.421	3.300	50	0	biogenic	HGAAHL
Cc1ccc(N2CCN([C@H](C(=O)[O-])c3cn(C)c4ccc(C(=O)[O-])cc34)CC2)c(C)c1	ZINC000036360900	569151988	/nfs/dbraw/zinc/15/19/88/569151988.db2.gz	JMWIKORZJCBYCP-QFIPXVFZSA-N	-2	3	421.497	3.441	50	0		HGAAHL
O=C([O-])c1cc(-c2ccc(C=N[N-]C(=O)c3ccc([N+](=O)[O-])cn3)o2)ccc1Cl	ZINC000008994573	571208326	/nfs/dbraw/zinc/20/83/26/571208326.db2.gz	WHZWJZZIRMQBLC-UHFFFAOYSA-N	-2	3	414.761	3.365	50	0		HGAAHL
COC(=O)c1ccc(-c2ccc(C(c3c(C)[n-][nH]c3=O)c3c(C)[n-][nH]c3=O)o2)cc1	ZINC000004540780	557565124	/nfs/dbraw/zinc/56/51/24/557565124.db2.gz	PBHGPBFYTOSLSJ-UHFFFAOYSA-N	-2	3	408.414	3.388	50	0		HGAAHL
COc1ccc([N-]S(=O)(=O)c2ccc([O-])c(NC(=O)c3ccc(C)nc3)c2)cc1	ZINC000029692273	558719002	/nfs/dbraw/zinc/71/90/02/558719002.db2.gz	LDMXZIMTCMNPBS-UHFFFAOYSA-N	-2	3	413.455	3.157	50	0		HGAAHL
O=C([O-])c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2)cc1	ZINC000102762411	560826283	/nfs/dbraw/zinc/82/62/83/560826283.db2.gz	GGMRDPNNDBIXGV-PWRODBHTSA-N	-2	3	414.417	3.436	50	0		HGAAHL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1Br	ZINC000046056019	568425721	/nfs/dbraw/zinc/42/57/21/568425721.db2.gz	YGUOCLSPDHOACW-UHFFFAOYSA-N	-2	3	404.213	3.096	50	0		HGAAHL
Cc1ccc([O-])c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N2CCOCC2)c1	ZINC000048231764	568433404	/nfs/dbraw/zinc/43/34/04/568433404.db2.gz	UBMKQAJMULORAT-UHFFFAOYSA-N	-2	3	416.421	3.357	50	0		HGAAHL
O=C([O-])c1sc(Cl)cc1S(=O)(=O)[N-]C1CCN(Cc2cccs2)CC1	ZINC000670454126	568929365	/nfs/dbraw/zinc/92/93/65/568929365.db2.gz	PORORPMQNCAABK-UHFFFAOYSA-N	-2	3	420.965	3.104	50	0		HGAAHL
CCCCn1c([O-])c([C@H]2NCCc3c4cc(OC)ccc4[nH]c32)c(=O)[n-]c1=S	ZINC000003985164	568931177	/nfs/dbraw/zinc/93/11/77/568931177.db2.gz	XFYHOAUDFPRDPW-QGZVFWFLSA-N	-2	3	400.504	3.137	50	0	biogenic	HGAAHL
Cc1ccc(N2CCN([C@@H](C(=O)[O-])c3cn(C)c4ccc(C(=O)[O-])cc34)CC2)c(C)c1	ZINC000036360901	569151969	/nfs/dbraw/zinc/15/19/69/569151969.db2.gz	JMWIKORZJCBYCP-JOCHJYFZSA-N	-2	3	421.497	3.441	50	0		HGAAHL
Cc1ncc2c(c1O)[C@@H](c1c([O-])n(-c3ccccc3Cl)c(=S)[n-]c1=O)OC2	ZINC000002146274	569289665	/nfs/dbraw/zinc/28/96/65/569289665.db2.gz	DQWWBZGSPQPTDP-HNNXBMFYSA-N	-2	3	403.847	3.283	50	0	biogenic	HGAAHL
Cc1ncc2c(c1[O-])[C@@H](c1c(=O)[n-]c(=S)n(-c3ccccc3Cl)c1[O-])OC2	ZINC000002146274	569289667	/nfs/dbraw/zinc/28/96/67/569289667.db2.gz	DQWWBZGSPQPTDP-HNNXBMFYSA-N	-3	3	403.847	3.283	50	0	biogenic	HGAAHL
CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(C(=O)[O-])c2)cc1	ZINC000032962230	519046228	/nfs/dbraw/zinc/04/62/28/519046228.db2.gz	XCIGTMLLZNMDOW-UHFFFAOYSA-N	-2	3	418.515	3.320	50	0		HGAAHL
CCCCn1c([O-])c(C2=NN(C(C)=O)[C@H](c3ccccc3OC)C2)c(=O)[n-]c1=S	ZINC000101456803	560795663	/nfs/dbraw/zinc/79/56/63/560795663.db2.gz	ZRVDZRQSMROLPV-HNNXBMFYSA-N	-2	3	416.503	3.118	50	0		HGAAHL
CCCCn1c([O-])c(C2=NN(C(=O)CC)[C@H](c3ccccc3)C2)c(=O)[n-]c1=S	ZINC000101495276	560796260	/nfs/dbraw/zinc/79/62/60/560796260.db2.gz	IWEZOTWQYAZHNS-HNNXBMFYSA-N	-2	3	400.504	3.499	50	0		HGAAHL
COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)cc1Br	ZINC000058419249	568699833	/nfs/dbraw/zinc/69/98/33/568699833.db2.gz	HHHUSBWBQQURAK-UHFFFAOYSA-N	-2	3	422.203	3.235	50	0		HGAAHL
Cn1nccc1[C@H](CC(=O)[O-])c1c([O-])ccc2c(=O)c(-c3ccc([O-])cc3)coc21	ZINC000096221785	568705244	/nfs/dbraw/zinc/70/52/44/568705244.db2.gz	BMBMWYUKUXZGSV-HNNXBMFYSA-N	-3	3	406.394	3.211	50	0	biogenic	HGAAHL
Cc1n[n-]c(=S)n1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1	ZINC000012605016	568870841	/nfs/dbraw/zinc/87/08/41/568870841.db2.gz	XZYMQHVLOAKMGJ-UHFFFAOYSA-N	-2	3	417.516	3.051	50	0		HGAAHL
CCN1CCN([C@@H](C(=O)[O-])c2cn(Cc3ccccc3)c3ccc(C(=O)[O-])cc23)CC1	ZINC000036353127	569147567	/nfs/dbraw/zinc/14/75/67/569147567.db2.gz	YYHIJXYAODLUGM-JOCHJYFZSA-N	-2	3	421.497	3.151	50	0		HGAAHL
COc1cc2c(cc1OC)[C@@H](c1c(=O)[n-]c(=S)n(C3CCCCC3)c1[O-])NCC2	ZINC000017197452	569276512	/nfs/dbraw/zinc/27/65/12/569276512.db2.gz	XJUKIFZZMNYBHQ-SFHVURJKSA-N	-2	3	417.531	3.369	50	0		HGAAHL
CCOc1ccc(-c2nc(NC(=O)CSc3nc([O-])cc(=O)[n-]3)sc2C)cc1	ZINC000003016781	569278494	/nfs/dbraw/zinc/27/84/94/569278494.db2.gz	ITFWWQWHZCMHMX-UHFFFAOYSA-N	-2	3	418.500	3.037	50	0		HGAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])cc2)cc1	ZINC000001083499	558775003	/nfs/dbraw/zinc/77/50/03/558775003.db2.gz	ZMGHLLPWDMAKED-RBUKOAKNSA-N	-2	3	414.483	3.401	50	0		HGAAHL
COc1ccccc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000017091441	558819943	/nfs/dbraw/zinc/81/99/43/558819943.db2.gz	SKESXQMZGOYZSR-UHFFFAOYSA-N	-2	3	418.496	3.297	50	0		HGAAHL
CC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000004862961	559193331	/nfs/dbraw/zinc/19/33/31/559193331.db2.gz	DFAQYSXEXHQLIA-RDJZCZTQSA-N	-2	3	402.237	3.317	50	0		HGAAHL
CC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c([O-])n(-c3ccccc3Cl)c(=O)c1-2	ZINC000100746137	559261953	/nfs/dbraw/zinc/26/19/53/559261953.db2.gz	DQHHZDFTNOCULU-DOTOQJQBSA-N	-2	3	402.237	3.317	50	0		HGAAHL
CCOc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cc(C)[nH]n3)cc2)cc1C(=O)[O-]	ZINC000079103115	560541332	/nfs/dbraw/zinc/54/13/32/560541332.db2.gz	YGIGRZUOLXJDMQ-UHFFFAOYSA-N	-2	3	417.443	3.408	50	0		HGAAHL
Cc1cc(-n2[n-][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)ccc1Br	ZINC000101260631	560789990	/nfs/dbraw/zinc/78/99/90/560789990.db2.gz	ILDGNJMSYRLJCN-GJZGRUSLSA-N	-2	3	403.211	3.394	50	0		HGAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1C(=O)[O-]	ZINC000013348838	560804887	/nfs/dbraw/zinc/80/48/87/560804887.db2.gz	CKVIWDSDVJCUJL-UHFFFAOYSA-N	-2	3	417.224	3.099	50	0		HGAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])cc1Br	ZINC000058357549	568699510	/nfs/dbraw/zinc/69/95/10/568699510.db2.gz	YEYWZKSQRGMOMP-UHFFFAOYSA-N	-2	3	404.213	3.096	50	0		HGAAHL
CCN1CCN([C@H](C(=O)[O-])c2cn(Cc3ccccc3)c3cc(C(=O)[O-])ccc23)CC1	ZINC000036360537	569151885	/nfs/dbraw/zinc/15/18/85/569151885.db2.gz	VQTACHHYRQJNRT-QFIPXVFZSA-N	-2	3	421.497	3.151	50	0		HGAAHL
O=C([O-])c1ccccc1[N-]N=C1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O	ZINC000096580659	568698315	/nfs/dbraw/zinc/69/83/15/568698315.db2.gz	QPKIZYTWJSSWCP-UHFFFAOYSA-N	-2	3	400.394	3.148	50	0		HGAAHL
O=C(Nc1ncccc1[O-])c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1	ZINC000012526910	568843474	/nfs/dbraw/zinc/84/34/74/568843474.db2.gz	BRWUMGMHOGWFDK-UHFFFAOYSA-N	-2	3	403.847	3.494	50	0		HGAAHL
CSc1ccccc1[N-]C(=O)c1ccc(S(=O)(=O)[N-]Cc2cccnc2)o1	ZINC000035597577	569045766	/nfs/dbraw/zinc/04/57/66/569045766.db2.gz	IGMQRHXSSSRCCE-UHFFFAOYSA-N	-2	3	403.485	3.127	50	0		HGAAHL
Cc1cccc(N2CCN([C@H](C(=O)[O-])c3cn(C)c4cc(C(=O)[O-])ccc34)CC2)c1C	ZINC000036353687	569147824	/nfs/dbraw/zinc/14/78/24/569147824.db2.gz	SQYJSHXOWHJEKY-QFIPXVFZSA-N	-2	3	421.497	3.441	50	0		HGAAHL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nc[nH]n3)c2)c1Cl	ZINC000253420320	569367832	/nfs/dbraw/zinc/36/78/32/569367832.db2.gz	HLBYQSFKMIGFMY-UHFFFAOYSA-N	-2	3	410.814	3.072	50	0		HGAAHL
CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ncccc3[O-])c2)cc1	ZINC000022265209	558475095	/nfs/dbraw/zinc/47/50/95/558475095.db2.gz	IZAYDFUAKNJGHW-UHFFFAOYSA-N	-2	3	413.455	3.239	50	0		HGAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC(C)CC3)c(C(=O)[O-])c2)cc1	ZINC000033253428	558921482	/nfs/dbraw/zinc/92/14/82/558921482.db2.gz	CIDNQPPQZGUSBM-UHFFFAOYSA-N	-2	3	404.488	3.431	50	0		HGAAHL
CC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000100738644	559260879	/nfs/dbraw/zinc/26/08/79/559260879.db2.gz	DFAQYSXEXHQLIA-DOTOQJQBSA-N	-2	3	402.237	3.317	50	0		HGAAHL
O=C(c1nn[n-]c1C(F)(F)F)c1cc(Br)cc(Br)c1[O-]	ZINC000101383570	560793733	/nfs/dbraw/zinc/79/37/33/560793733.db2.gz	QPCIJHPMQJUQTH-UHFFFAOYSA-N	-2	3	414.963	3.285	50	0		HGAAHL
O=C(c1[n-]nnc1C(F)(F)F)c1cc(Br)cc(Br)c1[O-]	ZINC000101383570	560793734	/nfs/dbraw/zinc/79/37/34/560793734.db2.gz	QPCIJHPMQJUQTH-UHFFFAOYSA-N	-2	3	414.963	3.285	50	0		HGAAHL
O=C(c1n[n-]nc1C(F)(F)F)c1cc(Br)cc(Br)c1[O-]	ZINC000101383570	560793736	/nfs/dbraw/zinc/79/37/36/560793736.db2.gz	QPCIJHPMQJUQTH-UHFFFAOYSA-N	-2	3	414.963	3.285	50	0		HGAAHL
O=C(Nc1ccccc1[O-])c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1	ZINC000028818059	568639302	/nfs/dbraw/zinc/63/93/02/568639302.db2.gz	NFXMMTLPENXMDY-UHFFFAOYSA-N	-2	3	412.423	3.174	50	0		HGAAHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccc(N(C)C)c(Br)c1	ZINC000004147362	568946675	/nfs/dbraw/zinc/94/66/75/568946675.db2.gz	UVAZRDCYPSZTOU-UHFFFAOYSA-N	-2	3	406.284	3.170	50	0		HGAAHL
CCN1CCc2c3ccccc3[nH]c2[C@H]1c1c([O-])nc([O-])n(-c2cccc(C)c2)c1=O	ZINC000008994392	571208297	/nfs/dbraw/zinc/20/82/97/571208297.db2.gz	LXTDJZNSAGXKHD-OAQYLSRUSA-N	-2	3	416.481	3.401	50	0	biogenic	HGAAHL
Cc1cc(S(=O)(=O)[N-]c2cccc(Br)c2)ccc1OCC(=O)[O-]	ZINC000058420355	558925652	/nfs/dbraw/zinc/92/56/52/558925652.db2.gz	PBEDODBZXPMHPW-UHFFFAOYSA-N	-2	3	400.250	3.022	50	0		HGAAHL
CC(=O)N1CCc2ccccc2[C@@H]1c1c(=O)[n-]c(=S)n(Cc2ccccc2)c1[O-]	ZINC000100749945	559262453	/nfs/dbraw/zinc/26/24/53/559262453.db2.gz	YKUUXYWYCVWXNH-LJQANCHMSA-N	-2	3	407.495	3.154	50	0	biogenic	HGAAHL
COc1cccc(-n2c(=O)c3[n-][n-]n(-c4ccc(Br)c(C)c4)c=3c2=O)c1	ZINC000101260710	560789925	/nfs/dbraw/zinc/78/99/25/560789925.db2.gz	QIUYJCCOYOOSHH-JKSUJKDBSA-N	-2	3	415.247	3.264	50	0		HGAAHL
COc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)cc1OC	ZINC000101260318	560851403	/nfs/dbraw/zinc/85/14/03/560851403.db2.gz	XHDUYLPRWODJIZ-IRXDYDNUSA-N	-2	3	400.822	3.163	50	0		HGAAHL
CCCCCCn1c([O-])c([C@H]2NCCc3cc(OC)c(OC)cc32)c(=O)[n-]c1=S	ZINC000017196099	569276414	/nfs/dbraw/zinc/27/64/14/569276414.db2.gz	VVDLPTYJHPVLOF-SFHVURJKSA-N	-2	3	419.547	3.444	50	0		HGAAHL
CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N(CC)CCN(C)C)cc1	ZINC000033253988	558922188	/nfs/dbraw/zinc/92/21/88/558922188.db2.gz	UMRHXTDDFLDIHC-UHFFFAOYSA-N	-2	3	419.547	3.136	50	0		HGAAHL
Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccc(F)cc2Br)c1	ZINC000058391604	558923536	/nfs/dbraw/zinc/92/35/36/558923536.db2.gz	MVHOICYNEQQOPX-UHFFFAOYSA-N	-2	3	404.213	3.101	50	0		HGAAHL
COc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)cc1OC	ZINC000023125652	559013687	/nfs/dbraw/zinc/01/36/87/559013687.db2.gz	XHDUYLPRWODJIZ-IAGOWNOFSA-N	-2	3	400.822	3.163	50	0		HGAAHL
O=c1[n-]c(=S)n(-c2ccc(F)cc2)c([O-])c1[C@H]1NCCc2c3ccccc3[nH]c21	ZINC000100751535	559263286	/nfs/dbraw/zinc/26/32/86/559263286.db2.gz	YIABZRVLXBZQQX-GOSISDBHSA-N	-2	3	408.458	3.456	50	0	biogenic	HGAAHL
O=C(C[N-]S(=O)(=O)c1cccs1)Nc1c([O-])c(Cl)cc(Cl)c1Cl	ZINC000095458540	568619056	/nfs/dbraw/zinc/61/90/56/568619056.db2.gz	INOZKZQWGLABKR-UHFFFAOYSA-N	-2	3	415.707	3.331	50	0		HGAAHL
CCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)C)cc2)cc1C(=O)[O-]	ZINC000069510427	571228738	/nfs/dbraw/zinc/22/87/38/571228738.db2.gz	XNUZKRAIHWDHPV-UHFFFAOYSA-N	-2	3	406.460	3.179	50	0		HGAAHL
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)c1cccc(Cl)c1Cl	ZINC000003279590	557467178	/nfs/dbraw/zinc/46/71/78/557467178.db2.gz	FVBHPTWWMGHESB-AWEZNQCLSA-N	-2	3	413.282	3.449	50	0		HGAAHL
CCCCN(C)c1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c(C(=O)[O-])c1	ZINC000033007177	558827909	/nfs/dbraw/zinc/82/79/09/558827909.db2.gz	DXDFBUWAKMCGBE-UHFFFAOYSA-N	-2	3	419.503	3.380	50	0		HGAAHL
COc1cc(OC)cc(-n2c(=O)c3[n-][n-]n(-c4ccc(C)c(Cl)c4)c=3c2=O)c1	ZINC000023125754	559013813	/nfs/dbraw/zinc/01/38/13/559013813.db2.gz	SQHSTPRZBMRPDB-SJORKVTESA-N	-2	3	400.822	3.163	50	0		HGAAHL
CCC(=O)N1N=C(c2c(=O)[n-]c(=S)n(C)c2[O-])C[C@H]1c1ccc(C(C)C)cc1	ZINC000101765789	560799514	/nfs/dbraw/zinc/79/95/14/560799514.db2.gz	NEHBSKNGQSNHOQ-HNNXBMFYSA-N	-2	3	400.504	3.360	50	0		HGAAHL
CCOC(=O)c1nc(-c2cccs2)[n-]c1[N-]S(=O)(=O)c1ccc(OC)cc1	ZINC000033435922	568514666	/nfs/dbraw/zinc/51/46/66/568514666.db2.gz	HSPUEUDBOBAXSB-UHFFFAOYSA-N	-2	3	407.473	3.124	50	0		HGAAHL
Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)c(C)c1CC(=O)[O-]	ZINC000096007265	568683033	/nfs/dbraw/zinc/68/30/33/568683033.db2.gz	IZLQZKUVHPWGRU-UHFFFAOYSA-N	-2	3	413.499	3.285	50	0		HGAAHL
CCN1CCN([C@@H](C(=O)[O-])c2cn(Cc3ccccc3)c3cc(C(=O)[O-])ccc23)CC1	ZINC000036360538	569151840	/nfs/dbraw/zinc/15/18/40/569151840.db2.gz	VQTACHHYRQJNRT-JOCHJYFZSA-N	-2	3	421.497	3.151	50	0		HGAAHL
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)c1cccc(Cl)c1Cl	ZINC000003279593	557467113	/nfs/dbraw/zinc/46/71/13/557467113.db2.gz	FVBHPTWWMGHESB-CQSZACIVSA-N	-2	3	413.282	3.449	50	0		HGAAHL
Cc1ccc(S(=O)(=O)[N-]c2nn[n-]c2C(=O)Nc2cccc3ccccc32)cc1	ZINC000004497830	558611872	/nfs/dbraw/zinc/61/18/72/558611872.db2.gz	HHOBMAWCYOMWGV-UHFFFAOYSA-N	-2	3	407.455	3.319	50	0		HGAAHL
COc1c(Br)cc2c(c(C(=O)[O-])c(CN(C(C)=O)C(C)C)n2C)c1[O-]	ZINC000022147367	558779298	/nfs/dbraw/zinc/77/92/98/558779298.db2.gz	MWSNTSUCMJKFBW-UHFFFAOYSA-N	-2	3	413.268	3.110	50	0		HGAAHL
CC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3cccc(Cl)c3)c(=O)c1-2	ZINC000004863240	559193318	/nfs/dbraw/zinc/19/33/18/559193318.db2.gz	KJWYRZHDCVSPKG-RDJZCZTQSA-N	-2	3	402.237	3.317	50	0		HGAAHL
COc1cc(OC)cc(-n2[n-][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)c1	ZINC000101260366	560851468	/nfs/dbraw/zinc/85/14/68/560851468.db2.gz	XQSXTUQTFFYQMU-DLBZAZTESA-N	-2	3	400.822	3.163	50	0		HGAAHL
CCN1CCc2c3ccccc3[nH]c2[C@@H]1c1c([O-])nc([O-])n(-c2cccc(C)c2)c1=O	ZINC000008994391	571208321	/nfs/dbraw/zinc/20/83/21/571208321.db2.gz	LXTDJZNSAGXKHD-NRFANRHFSA-N	-2	3	416.481	3.401	50	0	biogenic	HGAAHL
CCN1CCc2c3ccccc3[nH]c2[C@@H]1c1c([O-])nc([O-])n(-c2ccccc2)c1=O	ZINC000009058615	571217047	/nfs/dbraw/zinc/21/70/47/571217047.db2.gz	GIUBVIVPTHIAFT-FQEVSTJZSA-N	-2	3	402.454	3.092	50	0	biogenic	HGAAHL
COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)(C)C)c2)cc1C(=O)[O-]	ZINC000042122909	525087253	/nfs/dbraw/zinc/08/72/53/525087253.db2.gz	FVSXRGTVUPGIDA-UHFFFAOYSA-N	-2	3	406.460	3.179	50	0		HGAAHL
COc1cc(OC)cc(-n2[n-][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)c1	ZINC000101260364	560789810	/nfs/dbraw/zinc/78/98/10/560789810.db2.gz	XQSXTUQTFFYQMU-SJORKVTESA-N	-2	3	400.822	3.163	50	0		HGAAHL
COc1cccc(-n2c(=O)c3[n-][n-]n(-c4ccc(Br)c(C)c4)c=3c2=O)c1	ZINC000101260712	560789982	/nfs/dbraw/zinc/78/99/82/560789982.db2.gz	QIUYJCCOYOOSHH-HOTGVXAUSA-N	-2	3	415.247	3.264	50	0		HGAAHL
COc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C(=O)[O-])cc1OC	ZINC000095460458	568620200	/nfs/dbraw/zinc/62/02/00/568620200.db2.gz	BEBRHLRVRQXYRM-UHFFFAOYSA-N	-2	3	420.487	3.111	50	0		HGAAHL
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1Br	ZINC000057118591	568824335	/nfs/dbraw/zinc/82/43/35/568824335.db2.gz	HIKQTIJMMKBXJX-UHFFFAOYSA-N	-2	3	418.240	3.025	50	0		HGAAHL
CCCN1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000058009292	568875116	/nfs/dbraw/zinc/87/51/16/568875116.db2.gz	FYNARLTVVRNWHN-UHFFFAOYSA-N	-2	3	417.531	3.026	50	0		HGAAHL
Cc1cc(-n2[n-][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)ccc1Br	ZINC000023125730	559013778	/nfs/dbraw/zinc/01/37/78/559013778.db2.gz	ILDGNJMSYRLJCN-HUUCEWRRSA-N	-2	3	403.211	3.394	50	0		HGAAHL
CC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3cccc(Cl)c3)c(=O)c1-2	ZINC000100741299	559261270	/nfs/dbraw/zinc/26/12/70/559261270.db2.gz	KJWYRZHDCVSPKG-NVXWUHKLSA-N	-2	3	402.237	3.317	50	0		HGAAHL
CC(=O)N1CCc2ccccc2[C@@H]1c1c(=O)[n-]c(=S)n(-c2cccc(F)c2)c1[O-]	ZINC000100929982	560763257	/nfs/dbraw/zinc/76/32/57/560763257.db2.gz	CDJWEOOZUFNFIS-GOSISDBHSA-N	-2	3	411.458	3.234	50	0		HGAAHL
CCOc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)cc1	ZINC000013345415	560804799	/nfs/dbraw/zinc/80/47/99/560804799.db2.gz	BPSZQHRQGMYJGC-UHFFFAOYSA-N	-2	3	400.250	3.347	50	0		HGAAHL
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1	ZINC000008105735	568973813	/nfs/dbraw/zinc/97/38/13/568973813.db2.gz	SWWPRASYSLGRGU-UHFFFAOYSA-N	-2	3	402.241	3.406	50	0		HGAAHL
O=S(=O)([N-]c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1ccccc1	ZINC000007409743	569237094	/nfs/dbraw/zinc/23/70/94/569237094.db2.gz	RJJFKTXJQMGLFA-UHFFFAOYSA-N	-2	3	406.460	3.427	50	0		HGAAHL
O=C1CN(c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3[O-])cc2Cl)CCN1	ZINC000328589814	452922044	/nfs/dbraw/zinc/92/20/44/452922044.db2.gz	IGVUDKRVZKHOKL-UHFFFAOYSA-N	-2	3	416.286	3.276	50	0		HGAAHL
Cc1cccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)[N-]C(C)(C)C)c(F)cc2F)c1	ZINC000072301060	558751049	/nfs/dbraw/zinc/75/10/49/558751049.db2.gz	LLUFAAYROVCOOB-UHFFFAOYSA-N	-2	3	418.487	3.151	50	0		HGAAHL
CCCCN(C)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)cc1C(=O)[O-]	ZINC000033253359	558921447	/nfs/dbraw/zinc/92/14/47/558921447.db2.gz	CUKWMGRKFGPDCN-UHFFFAOYSA-N	-2	3	422.503	3.439	50	0		HGAAHL
O=C([O-])c1nn(CCCc2ccccc2)c2c1CN(C(=O)c1cccc([O-])c1)CC2	ZINC000067821053	558993351	/nfs/dbraw/zinc/99/33/51/558993351.db2.gz	GGMFPGJEAZPAEN-UHFFFAOYSA-N	-2	3	405.454	3.118	50	0		HGAAHL
CC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c([O-])n(-c3ccccc3Cl)c(=O)c1-2	ZINC000004812492	559069571	/nfs/dbraw/zinc/06/95/71/559069571.db2.gz	DQHHZDFTNOCULU-RDJZCZTQSA-N	-2	3	402.237	3.317	50	0		HGAAHL
COc1cc2c(cc1OC)[C@H](c1c(=O)[n-]c(=S)n(C3CCCCC3)c1[O-])NCC2	ZINC000017197448	560704242	/nfs/dbraw/zinc/70/42/42/560704242.db2.gz	XJUKIFZZMNYBHQ-GOSISDBHSA-N	-2	3	417.531	3.369	50	0		HGAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC(C)CC3)cc2C(=O)[O-])cc1	ZINC000033007144	568510189	/nfs/dbraw/zinc/51/01/89/568510189.db2.gz	IYVTUVAGDIXWEC-UHFFFAOYSA-N	-2	3	404.488	3.431	50	0		HGAAHL
CC(C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(C)CC2)cc1	ZINC000058009241	568875057	/nfs/dbraw/zinc/87/50/57/568875057.db2.gz	HZYWBOUODKYURX-UHFFFAOYSA-N	-2	3	417.531	3.061	50	0		HGAAHL
Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NC(=O)CC(C)C)cc1	ZINC000031668287	568929007	/nfs/dbraw/zinc/92/90/07/568929007.db2.gz	PCPPVAWHGOGOAK-UHFFFAOYSA-N	-2	3	406.460	3.184	50	0		HGAAHL
Cc1ccc(N2CCN([C@H](C(=O)[O-])c3cn(C)c4cc(C(=O)[O-])ccc34)CC2)c(C)c1	ZINC000036367142	569152524	/nfs/dbraw/zinc/15/25/24/569152524.db2.gz	GKIBKBFCABJRAM-QFIPXVFZSA-N	-2	3	421.497	3.441	50	0		HGAAHL
O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccccc1	ZINC000000980206	557130090	/nfs/dbraw/zinc/13/00/90/557130090.db2.gz	ZFSHFJZVJJPLHL-UHFFFAOYSA-N	-2	3	406.460	3.427	50	0		HGAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1	ZINC000001145436	557207515	/nfs/dbraw/zinc/20/75/15/557207515.db2.gz	NJDZLGNIAGGUMV-UHFFFAOYSA-N	-2	3	418.496	3.297	50	0		HGAAHL
O=C(Nc1cccc(I)c1)c1c([O-])[n-]c2ccccc2c1=O	ZINC000017015284	558811653	/nfs/dbraw/zinc/81/16/53/558811653.db2.gz	BAPXMURJDBJGEK-UHFFFAOYSA-N	-2	3	406.179	3.091	50	0		HGAAHL
CCCCNC(=O)c1c[n-]c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2c1=O	ZINC000004668610	558876949	/nfs/dbraw/zinc/87/69/49/558876949.db2.gz	RYKKVUNWEQXBIL-UHFFFAOYSA-N	-2	3	413.499	3.167	50	0		HGAAHL
CCCCNC(=O)c1cnc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2c1[O-]	ZINC000004668610	558876950	/nfs/dbraw/zinc/87/69/50/558876950.db2.gz	RYKKVUNWEQXBIL-UHFFFAOYSA-N	-2	3	413.499	3.167	50	0		HGAAHL
Cc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)ccc1OCC(=O)[O-]	ZINC000058377265	558922684	/nfs/dbraw/zinc/92/26/84/558922684.db2.gz	JCOKAWQCNAXMGB-UHFFFAOYSA-N	-2	3	400.250	3.022	50	0		HGAAHL
COc1cc(OC)cc(-n2c(=O)c3[n-][n-]n(-c4ccc(C)c(Cl)c4)c=3c2=O)c1	ZINC000101260846	560789988	/nfs/dbraw/zinc/78/99/88/560789988.db2.gz	SQHSTPRZBMRPDB-IAGOWNOFSA-N	-2	3	400.822	3.163	50	0		HGAAHL
CCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2C(=O)[O-])cc1	ZINC000095958213	568669660	/nfs/dbraw/zinc/66/96/60/568669660.db2.gz	JUVLNHKYWLHHMY-UHFFFAOYSA-N	-2	3	422.528	3.138	50	0		HGAAHL
Cc1cccc(N2CCN([C@@H](C(=O)[O-])c3cn(C)c4ccc(C(=O)[O-])cc34)CC2)c1C	ZINC000036366642	569152664	/nfs/dbraw/zinc/15/26/64/569152664.db2.gz	GKBRTDDJXFLSDX-JOCHJYFZSA-N	-2	3	421.497	3.441	50	0		HGAAHL
CCOC(=O)c1nc([N-]S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)c[n-]1	ZINC000170617390	569248138	/nfs/dbraw/zinc/24/81/38/569248138.db2.gz	MMSNKAGMEXLWBD-UHFFFAOYSA-N	-2	3	413.883	3.220	50	0		HGAAHL
CC(=O)c1cccc([N-]S(=O)(=O)c2csc(C(=O)[N-]c3cc(C)on3)c2)c1	ZINC000006681794	569280020	/nfs/dbraw/zinc/28/00/20/569280020.db2.gz	FFURBKIBDKZFFU-UHFFFAOYSA-N	-2	3	405.457	3.300	50	0		HGAAHL
Cc1ncc2c(c1O)[C@H](c1c([O-])n(-c3ccccc3Cl)c(=S)[n-]c1=O)OC2	ZINC000002146267	569289630	/nfs/dbraw/zinc/28/96/30/569289630.db2.gz	DQWWBZGSPQPTDP-OAHLLOKOSA-N	-2	3	403.847	3.283	50	0	biogenic	HGAAHL
Cc1ncc2c(c1[O-])[C@H](c1c(=O)[n-]c(=S)n(-c3ccccc3Cl)c1[O-])OC2	ZINC000002146267	569289631	/nfs/dbraw/zinc/28/96/31/569289631.db2.gz	DQWWBZGSPQPTDP-OAHLLOKOSA-N	-3	3	403.847	3.283	50	0	biogenic	HGAAHL
COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)cc1Br	ZINC000032798199	525076933	/nfs/dbraw/zinc/07/69/33/525076933.db2.gz	XNOCESUBVFUMNA-UHFFFAOYSA-N	-2	3	400.250	3.265	50	0		HGAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])cc2)cc1	ZINC000001083501	558775036	/nfs/dbraw/zinc/77/50/36/558775036.db2.gz	ZMGHLLPWDMAKED-OALUTQOASA-N	-2	3	414.483	3.401	50	0		HGAAHL
CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)cc1C(=O)[O-]	ZINC000033253642	558921621	/nfs/dbraw/zinc/92/16/21/558921621.db2.gz	HJSPWJULKKTYHG-UHFFFAOYSA-N	-2	3	408.476	3.049	50	0		HGAAHL
CC(=O)N1CCc2ccccc2[C@H]1c1c(=O)[n-]c(=S)n(-c2ccccc2C)c1[O-]	ZINC000100925365	560763181	/nfs/dbraw/zinc/76/31/81/560763181.db2.gz	GCBKXCUUYWWXEB-IBGZPJMESA-N	-2	3	407.495	3.403	50	0		HGAAHL
COc1cc(OC)cc(-n2[n-][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)c1	ZINC000101260360	560789819	/nfs/dbraw/zinc/78/98/19/560789819.db2.gz	XQSXTUQTFFYQMU-IRXDYDNUSA-N	-2	3	400.822	3.163	50	0		HGAAHL
COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1Br	ZINC000024433030	568511468	/nfs/dbraw/zinc/51/14/68/568511468.db2.gz	RKXKGFVFBZKSFR-UHFFFAOYSA-N	-2	3	404.213	3.096	50	0		HGAAHL
Cc1cc(Oc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc4c3CCC4)cc2)n[nH]1	ZINC000079103102	569427466	/nfs/dbraw/zinc/42/74/66/569427466.db2.gz	OLSRJULOEVXYKL-UHFFFAOYSA-N	-2	3	413.455	3.498	50	0		HGAAHL
O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1cccs1	ZINC000000812379	557088103	/nfs/dbraw/zinc/08/81/03/557088103.db2.gz	BBMSFOKXSFGWJV-UHFFFAOYSA-N	-2	3	412.489	3.489	50	0		HGAAHL
CC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3ccccc3Cl)c(=O)c1-2	ZINC000100077708	559125277	/nfs/dbraw/zinc/12/52/77/559125277.db2.gz	KAXLLGBUNXXNSL-RDJZCZTQSA-N	-2	3	402.237	3.317	50	0		HGAAHL
CC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000004862962	559193343	/nfs/dbraw/zinc/19/33/43/559193343.db2.gz	DFAQYSXEXHQLIA-WBVHZDCISA-N	-2	3	402.237	3.317	50	0		HGAAHL
COc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)cc1OC	ZINC000101260320	560789767	/nfs/dbraw/zinc/78/97/67/560789767.db2.gz	XHDUYLPRWODJIZ-SJORKVTESA-N	-2	3	400.822	3.163	50	0		HGAAHL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1Br	ZINC000013358964	560805913	/nfs/dbraw/zinc/80/59/13/560805913.db2.gz	YQARMQXMDCGPHN-UHFFFAOYSA-N	-2	3	400.250	3.265	50	0		HGAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])cc1Br	ZINC000058357599	568699408	/nfs/dbraw/zinc/69/94/08/568699408.db2.gz	BOGIOCUHJGYKBD-UHFFFAOYSA-N	-2	3	400.250	3.265	50	0		HGAAHL
O=c1[n-]c2c(c([O-])c1-c1ccccc1)c(=O)n(-c1ccccc1)c(=O)n2-c1ccccc1	ZINC000000704367	569048849	/nfs/dbraw/zinc/04/88/49/569048849.db2.gz	HLBWWKONOFXPNJ-UHFFFAOYSA-N	-2	3	423.428	3.203	50	0		HGAAHL
Cc1ncc(CO)c(C=NNc2c(Cl)c(Cl)nc(C(=O)[O-])c2Cl)c1[O-]	ZINC000254311236	569254326	/nfs/dbraw/zinc/25/43/26/569254326.db2.gz	XMXUANXEWGDGKV-UHFFFAOYSA-N	-2	3	405.625	3.087	50	0		HGAAHL
Cc1ncc(CO)c(CN=Nc2c(Cl)c(Cl)nc(C(=O)[O-])c2Cl)c1[O-]	ZINC000254311236	569254327	/nfs/dbraw/zinc/25/43/27/569254327.db2.gz	XMXUANXEWGDGKV-UHFFFAOYSA-N	-2	3	405.625	3.087	50	0		HGAAHL
CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(N3C[C@H](C(=O)[O-])CC3=O)cc2)cc1	ZINC000032081202	519038393	/nfs/dbraw/zinc/03/83/93/519038393.db2.gz	WSBGHVJCVDZJLE-CQSZACIVSA-N	-2	3	416.499	3.222	50	0		HGAAHL
COc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1	ZINC000000813919	557088776	/nfs/dbraw/zinc/08/87/76/557088776.db2.gz	JYUZNXUFXMUSGD-UHFFFAOYSA-N	-2	3	424.525	3.358	50	0		HGAAHL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)ccc1N1CCSCC1	ZINC000058366100	558922123	/nfs/dbraw/zinc/92/21/23/558922123.db2.gz	SWRYSZHWQKEPFW-UHFFFAOYSA-N	-2	3	414.455	3.017	50	0		HGAAHL
CC(=O)N1CCc2ccccc2[C@H]1c1c(=O)[n-]c(=S)n(-c2cccc(F)c2)c1[O-]	ZINC000100929986	560763261	/nfs/dbraw/zinc/76/32/61/560763261.db2.gz	CDJWEOOZUFNFIS-SFHVURJKSA-N	-2	3	411.458	3.234	50	0		HGAAHL
COc1cc(OC)cc(-n2c(=O)c3[n-][n-]n(-c4ccc(C)c(Cl)c4)c=3c2=O)c1	ZINC000101260842	560789950	/nfs/dbraw/zinc/78/99/50/560789950.db2.gz	SQHSTPRZBMRPDB-DLBZAZTESA-N	-2	3	400.822	3.163	50	0		HGAAHL
COc1cc(OC)cc(-n2c(=O)c3[n-][n-]n(-c4cccc(C(F)(F)F)c4)c=3c2=O)c1	ZINC000102819495	560829521	/nfs/dbraw/zinc/82/95/21/560829521.db2.gz	OTSFNRCOYSYLBI-HOTGVXAUSA-N	-2	3	420.347	3.220	50	0		HGAAHL
COc1cccc(-n2c(=O)c3[n-][n-]n(-c4ccc(Br)c(C)c4)c=3c2=O)c1	ZINC000101260714	560851471	/nfs/dbraw/zinc/85/14/71/560851471.db2.gz	QIUYJCCOYOOSHH-HZPDHXFCSA-N	-2	3	415.247	3.264	50	0		HGAAHL
Cc1ccc(N2CCN([C@H](C(=O)[O-])c3cn(CC(=O)[O-])c4ccccc34)CC2)c(C)c1	ZINC000036359068	569150416	/nfs/dbraw/zinc/15/04/16/569150416.db2.gz	QSEZSMOSDHMCON-QHCPKHFHSA-N	-2	3	421.497	3.291	50	0		HGAAHL
CCN1CCc2c3ccccc3[nH]c2[C@H]1c1c([O-])nc([O-])n(-c2ccc(F)cc2)c1=O	ZINC000009013453	571211015	/nfs/dbraw/zinc/21/10/15/571211015.db2.gz	RBUQPRQQJVEJKH-HXUWFJFHSA-N	-2	3	420.444	3.232	50	0	biogenic	HGAAHL
CCc1sc(C(=O)[N-]n2c(=O)c3ccccc3[n-]c2=S)cc1Br	ZINC000002789963	557759826	/nfs/dbraw/zinc/75/98/26/557759826.db2.gz	UVSOXWODNGZXTA-UHFFFAOYSA-N	-2	3	410.318	3.456	50	0		HGAAHL
CC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000100738643	559260923	/nfs/dbraw/zinc/26/09/23/559260923.db2.gz	DFAQYSXEXHQLIA-NVXWUHKLSA-N	-2	3	402.237	3.317	50	0		HGAAHL
O=C(CSc1nc([O-])c(-c2ccccc2)c(=O)[n-]1)Nc1cccc2ccccc21	ZINC000001436580	568955995	/nfs/dbraw/zinc/95/59/95/568955995.db2.gz	HLKDWDVGDZMBFW-UHFFFAOYSA-N	-2	3	403.463	3.308	50	0		HGAAHL