smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCC[C@@H](O)CN(CC[NH+]1CCOCC1)Cc1nc2sc(C(C)C)cc2c(=O)[nH]1	ZINC000036313090	518715975	/nfs/dbraw/zinc/71/59/75/518715975.db2.gz	DBZZCOIHBNKCIC-QGZVFWFLSA-N	1	2	434.606	2.569	50	30		IFEALO
C=CCC[C@@H](O)C[N@@H+](CCN1CCOCC1)Cc1nc2sc(C(C)C)cc2c(=O)[nH]1	ZINC000036313090	518715981	/nfs/dbraw/zinc/71/59/81/518715981.db2.gz	DBZZCOIHBNKCIC-QGZVFWFLSA-N	1	2	434.606	2.569	50	30		IFEALO
C=CCC[C@@H](O)C[N@H+](CCN1CCOCC1)Cc1nc2sc(C(C)C)cc2c(=O)[nH]1	ZINC000036313090	518715988	/nfs/dbraw/zinc/71/59/88/518715988.db2.gz	DBZZCOIHBNKCIC-QGZVFWFLSA-N	1	2	434.606	2.569	50	30		IFEALO
CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1	ZINC000013550887	521239400	/nfs/dbraw/zinc/23/94/00/521239400.db2.gz	RGTLMABTBDAONM-OAQYLSRUSA-N	1	2	440.496	2.979	50	30		IFEALO
COc1cccc([C@@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1	ZINC000013688579	524109472	/nfs/dbraw/zinc/10/94/72/524109472.db2.gz	JBTHSXUJAFFEFE-OAQYLSRUSA-N	1	2	449.511	2.911	50	30		IFEALO
Cc1cccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc([NH+](C)C)cc2)c1	ZINC000013176285	524335397	/nfs/dbraw/zinc/33/53/97/524335397.db2.gz	SRXUFPVRMLGELQ-MFHOCOOASA-N	1	2	443.594	2.905	50	30		IFEALO
COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC2CC[NH+](C)CC2)cc1	ZINC000039949074	524690351	/nfs/dbraw/zinc/69/03/51/524690351.db2.gz	LHXDJXXIDAXLTH-UHFFFAOYSA-N	1	2	433.490	2.898	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccncc1)c1ccc2c(c1)OCCO2	ZINC000095483298	527672391	/nfs/dbraw/zinc/67/23/91/527672391.db2.gz	IPEIATNXIVNDBJ-OAQYLSRUSA-N	1	2	446.463	2.718	50	30		IFEALO
C=CCNC(=O)N1CCc2[nH+]c(N3CCN(c4ccccc4)CC3)nc(N(C)C(C)C)c2C1	ZINC000034676901	555794954	/nfs/dbraw/zinc/79/49/54/555794954.db2.gz	PWBRSNVMQOYCIL-UHFFFAOYSA-N	1	2	449.603	2.902	50	30		IFEALO
CN(C)c1ccc(C=[NH+]NC(=N)S[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1	ZINC000006393211	556086596	/nfs/dbraw/zinc/08/65/96/556086596.db2.gz	YDAGEUJEFNCELU-QQZPLFJDSA-N	1	2	440.485	2.584	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccccn1)c1ccc(Cl)cc1	ZINC000008740801	556206572	/nfs/dbraw/zinc/20/65/72/556206572.db2.gz	KIDQIZLXNCKBRB-NHFXJNLRSA-N	1	2	441.915	2.879	50	30		IFEALO
CCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1	ZINC000019999646	556957402	/nfs/dbraw/zinc/95/74/02/556957402.db2.gz	PYFDCTLTTOMWQG-OAQYLSRUSA-N	1	2	440.496	2.979	50	30		IFEALO
COc1ccc(/C=N\OCc2nc3c4c5c(sc4ncn3n2)C[N@H+](C)CC5)cc1OC	ZINC000020025735	556967382	/nfs/dbraw/zinc/96/73/82/556967382.db2.gz	CUSIGYVYUJRRSY-AQHIEDMUSA-N	1	2	438.513	2.895	50	30		IFEALO
COc1ccc(/C=N\OCc2nc3c4c5c(sc4ncn3n2)C[N@@H+](C)CC5)cc1OC	ZINC000020025735	556967384	/nfs/dbraw/zinc/96/73/84/556967384.db2.gz	CUSIGYVYUJRRSY-AQHIEDMUSA-N	1	2	438.513	2.895	50	30		IFEALO
Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccncc2)c1	ZINC000020166812	556993990	/nfs/dbraw/zinc/99/39/90/556993990.db2.gz	AFQCJLDEGWNMLX-JOCHJYFZSA-N	1	2	435.524	2.999	50	30		IFEALO
COc1cc(OC)cc([C@H](NS(=O)(=O)Cc2ccc(C#N)cc2)c2[nH+]ccn2C)c1	ZINC000010749001	557023954	/nfs/dbraw/zinc/02/39/54/557023954.db2.gz	BXOBUVSOGOJHRC-FQEVSTJZSA-N	1	2	426.498	2.518	50	30		IFEALO
Cc1cc(Cl)ccc1NC(=NC(=O)c1ccc2c(c1)OCO2)NCC[NH+]1CCOCC1	ZINC000046140678	557041843	/nfs/dbraw/zinc/04/18/43/557041843.db2.gz	XFDQSPNRRWDQFG-UHFFFAOYSA-N	1	2	444.919	2.907	50	30		IFEALO
C#CCOc1cccc([C@H](CC(=O)OC)c2c(O)cc(C)n(CCc3c[nH+]c[nH]3)c2=O)c1	ZINC000604419328	557251465	/nfs/dbraw/zinc/25/14/65/557251465.db2.gz	TUROJCLNNMPNDM-FQEVSTJZSA-N	1	2	435.480	2.535	50	30		IFEALO
C#CCOc1cccc([C@H](CC(=O)OC)c2c(O)cc(C)n(CCc3c[nH]c[nH+]3)c2=O)c1	ZINC000604419328	557251469	/nfs/dbraw/zinc/25/14/69/557251469.db2.gz	TUROJCLNNMPNDM-FQEVSTJZSA-N	1	2	435.480	2.535	50	30		IFEALO
C[NH+](C)c1ccc(N2C(=NC(=O)Cc3ccc(F)cc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000101300083	557270890	/nfs/dbraw/zinc/27/08/90/557270890.db2.gz	BNUGARDWMKBROQ-RRQHQGNBSA-N	1	2	447.557	2.736	50	30		IFEALO
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1cccnc1	ZINC000102526483	557353760	/nfs/dbraw/zinc/35/37/60/557353760.db2.gz	MCLZQHRSRYWXFM-OBVHCKHUSA-N	1	2	442.479	2.746	50	30		IFEALO
Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1cccnc1	ZINC000102526483	557353763	/nfs/dbraw/zinc/35/37/63/557353763.db2.gz	MCLZQHRSRYWXFM-OBVHCKHUSA-N	1	2	442.479	2.746	50	30		IFEALO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cccc(F)c2)c(C)n1	ZINC000102743348	557376650	/nfs/dbraw/zinc/37/66/50/557376650.db2.gz	WTGMTJDHBUNOGP-NHFXJNLRSA-N	1	2	435.459	2.941	50	30		IFEALO
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccncc1	ZINC000102742672	557376779	/nfs/dbraw/zinc/37/67/79/557376779.db2.gz	BRTURXASRHZFJG-YDJIHCHBSA-N	1	2	436.443	2.938	50	30		IFEALO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccccc2F)c(C)n1	ZINC000102748343	557378806	/nfs/dbraw/zinc/37/88/06/557378806.db2.gz	FUQRZOAQEHDGDM-NHFXJNLRSA-N	1	2	435.459	2.941	50	30		IFEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccccn2)c(OC)c1	ZINC000102739388	557380196	/nfs/dbraw/zinc/38/01/96/557380196.db2.gz	WMGULATZGCWYNP-JBCNATCCSA-N	1	2	448.479	2.807	50	30		IFEALO
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccncc1	ZINC000102875686	557396791	/nfs/dbraw/zinc/39/67/91/557396791.db2.gz	SXFRYTMTIQVQRF-HOGKFDNTSA-N	1	2	447.491	2.972	50	30		IFEALO
COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1	ZINC000015449508	568780907	/nfs/dbraw/zinc/78/09/07/568780907.db2.gz	QPJZBDSLGVGJLB-LJQANCHMSA-N	1	2	443.544	2.851	50	30		IFEALO
COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1	ZINC000015449508	568780908	/nfs/dbraw/zinc/78/09/08/568780908.db2.gz	QPJZBDSLGVGJLB-LJQANCHMSA-N	1	2	443.544	2.851	50	30		IFEALO
C=CCN1C=C(OC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c2ccccc2S1(=O)=O	ZINC000015669474	568801972	/nfs/dbraw/zinc/80/19/72/568801972.db2.gz	PHPOKMLQYPXXSE-UHFFFAOYSA-N	1	2	440.521	2.865	50	30		IFEALO
C=CCNC(=O)C[NH+]1CCN(Cn2nc(-c3ccc(N(CC)CC)cc3)oc2=S)CC1	ZINC000022924470	568859047	/nfs/dbraw/zinc/85/90/47/568859047.db2.gz	KIHSHAPPGMWYIY-UHFFFAOYSA-N	1	2	444.605	2.596	50	30		IFEALO
CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3O)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000020309931	569359797	/nfs/dbraw/zinc/35/97/97/569359797.db2.gz	JBKVIWNGTOHPHG-OAQYLSRUSA-N	1	2	440.496	2.939	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccccn1)c1ccc2c(c1)OCCO2	ZINC000009461411	569537096	/nfs/dbraw/zinc/53/70/96/569537096.db2.gz	NTGSPIANPCAKRC-OAQYLSRUSA-N	1	2	446.463	2.718	50	30		IFEALO
C[NH+](C)c1ccc(N2C(=NC(=O)Cc3ccc(F)cc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000009580934	569548906	/nfs/dbraw/zinc/54/89/06/569548906.db2.gz	BNUGARDWMKBROQ-NPWLIUPYSA-N	1	2	447.557	2.736	50	30		IFEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccccn2)c(OC)c1	ZINC000013692161	523555429	/nfs/dbraw/zinc/55/54/29/523555429.db2.gz	XDAJOQOYXFMNMD-OAQYLSRUSA-N	1	2	448.479	2.964	50	30		IFEALO
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccccn1	ZINC000102750787	524295925	/nfs/dbraw/zinc/29/59/25/524295925.db2.gz	AYMMYVGEGAHADT-NHFXJNLRSA-N	1	2	436.443	2.938	50	30		IFEALO
COc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1	ZINC000012619372	525392141	/nfs/dbraw/zinc/39/21/41/525392141.db2.gz	UBWCBXSAHNUFGW-FQEVSTJZSA-N	1	2	426.469	2.589	50	30		IFEALO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1cccs1	ZINC000012322833	527605682	/nfs/dbraw/zinc/60/56/82/527605682.db2.gz	GRCWMAMCKVXXFM-SFHVURJKSA-N	1	2	425.514	2.964	50	30		IFEALO
COc1ccc(N2C(=O)C[C@H](SC(=N)N[NH+]=Cc3ccc(N(C)C)cc3)C2=O)cc1	ZINC000004046547	555955290	/nfs/dbraw/zinc/95/52/90/555955290.db2.gz	NHDFFRKHODCVLU-XNQWGTPPSA-N	1	2	425.514	2.685	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccccn1)c1ccc(Cl)cc1	ZINC000008740800	556206623	/nfs/dbraw/zinc/20/66/23/556206623.db2.gz	KIDQIZLXNCKBRB-YDJIHCHBSA-N	1	2	441.915	2.879	50	30		IFEALO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccco2)c1	ZINC000008858603	556227968	/nfs/dbraw/zinc/22/79/68/556227968.db2.gz	SFPXOWZMJMUKMW-HXUWFJFHSA-N	1	2	426.469	2.589	50	30		IFEALO
COc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1	ZINC000008871746	556229979	/nfs/dbraw/zinc/22/99/79/556229979.db2.gz	UBWCBXSAHNUFGW-HXUWFJFHSA-N	1	2	426.469	2.589	50	30		IFEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccccc2)cc1	ZINC000009370469	556286073	/nfs/dbraw/zinc/28/60/73/556286073.db2.gz	OLOWPCQQIOWHFM-JOCHJYFZSA-N	1	2	436.508	2.996	50	30		IFEALO
C=CCNS(=O)(=O)c1cccc(C(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)c1	ZINC000072303661	556547884	/nfs/dbraw/zinc/54/78/84/556547884.db2.gz	NSYKAHADBMIARR-UHFFFAOYSA-N	1	2	442.585	2.925	50	30		IFEALO
COc1ccccc1[C@@H]1C(C(=O)c2c(C)n[nH]c2C)=C(O)C(=O)N1CCCn1cc[nH+]c1	ZINC000013727391	556720597	/nfs/dbraw/zinc/72/05/97/556720597.db2.gz	ADEHNAQJNATPAX-HXUWFJFHSA-N	1	2	435.484	2.900	50	30		IFEALO
COc1ccccc1[C@H]1C(C(=O)c2c(C)nn(C)c2C)=C(O)C(=O)N1CCCn1cc[nH+]c1	ZINC000013733683	556722459	/nfs/dbraw/zinc/72/24/59/556722459.db2.gz	KLMNZGSQTSXNCK-NRFANRHFSA-N	1	2	449.511	2.911	50	30		IFEALO
O=C(c1cccs1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc(O)cc1	ZINC000020081928	556978605	/nfs/dbraw/zinc/97/86/05/556978605.db2.gz	DOGLQFPTBTXKFR-LJQANCHMSA-N	1	2	428.510	2.754	50	30		IFEALO
COc1cccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2ccc(OC)c(Cl)c2)c1	ZINC000046134514	557041202	/nfs/dbraw/zinc/04/12/02/557041202.db2.gz	QLXKBBXWGRNUSD-UHFFFAOYSA-N	1	2	446.935	2.887	50	30		IFEALO
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccncc2)cc1F	ZINC000008951546	557127757	/nfs/dbraw/zinc/12/77/57/557127757.db2.gz	LEOHYMLISDOMPQ-OAQYLSRUSA-N	1	2	439.487	2.830	50	30		IFEALO
CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccc(C#N)c3)c2)CC1	ZINC000014111245	557304313	/nfs/dbraw/zinc/30/43/13/557304313.db2.gz	VKVKZIJGHZEEBU-UHFFFAOYSA-N	1	2	432.933	2.790	50	30		IFEALO
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccnc1	ZINC000102498452	557336642	/nfs/dbraw/zinc/33/66/42/557336642.db2.gz	LTGUQXADUPIXLI-HOGKFDNTSA-N	1	2	447.491	2.972	50	30		IFEALO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccccc2)c1	ZINC000102501217	557338182	/nfs/dbraw/zinc/33/81/82/557338182.db2.gz	HOOVTMMSAFSJOT-HOGKFDNTSA-N	1	2	436.508	2.839	50	30		IFEALO
COc1ccc([C@@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1	ZINC000102741736	557376433	/nfs/dbraw/zinc/37/64/33/557376433.db2.gz	PWPRDWWORAHHCH-JBCNATCCSA-N	1	2	449.511	2.754	50	30		IFEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccccn2)cc1F	ZINC000102742785	557376765	/nfs/dbraw/zinc/37/67/65/557376765.db2.gz	GFINGEAUNYWPCQ-NHFXJNLRSA-N	1	2	436.443	2.938	50	30		IFEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccccn2)c(OC)c1	ZINC000102739383	557380282	/nfs/dbraw/zinc/38/02/82/557380282.db2.gz	WMGULATZGCWYNP-MRJHHRETSA-N	1	2	448.479	2.807	50	30		IFEALO
C=CCN1C(=O)c2ccc(C(=O)N[C@H](c3[nH+]ccn3C)c3cccc(OC)c3)cc2C1=O	ZINC000024019473	557390884	/nfs/dbraw/zinc/39/08/84/557390884.db2.gz	ARMJANFPAFOXOI-FQEVSTJZSA-N	1	2	430.464	2.730	50	30		IFEALO
COc1cccc(/C=C2\Oc3cc(OCC(=O)NCCn4cc[nH+]c4)ccc3C2=O)c1OC	ZINC000263584854	568758870	/nfs/dbraw/zinc/75/88/70/568758870.db2.gz	BPHAFLVESJQOKA-MTJSOVHGSA-N	1	2	449.463	2.712	50	30		IFEALO
CC[NH+]1CCN(c2nc3ccccc3nc2[C@@H](C#N)S(=O)(=O)c2cccs2)CC1	ZINC000002421593	569302115	/nfs/dbraw/zinc/30/21/15/569302115.db2.gz	ZAYJZVCBMZSHAM-QGZVFWFLSA-N	1	2	427.555	2.872	50	30		IFEALO
O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccnc1	ZINC000020189608	569355677	/nfs/dbraw/zinc/35/56/77/569355677.db2.gz	SAYVUDUVZUBFES-JJNABOQBSA-N	1	2	433.508	2.782	50	30		IFEALO
C=CCN1C(=O)[C@@H](CC(C)C)[NH2+]C12CCN(S(=O)(=O)c1cccc(Cl)c1)CC2	ZINC000096279817	569389454	/nfs/dbraw/zinc/38/94/54/569389454.db2.gz	AXNHDAUTKJAQDA-GOSISDBHSA-N	1	2	425.982	2.853	50	30		IFEALO
CC1CCN(c2cc(N3CCC(C)CC3)c([N+](=O)[O-])cc2C=[NH+]Nc2nncn2N)CC1	ZINC000008659855	569469752	/nfs/dbraw/zinc/46/97/52/569469752.db2.gz	ABKGGLNIWRSWJE-YDZHTSKRSA-N	1	2	441.540	2.819	50	30		IFEALO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccccc2)c1	ZINC000008858599	569479899	/nfs/dbraw/zinc/47/98/99/569479899.db2.gz	CZWKJABVXRAZCV-JOCHJYFZSA-N	1	2	436.508	2.996	50	30		IFEALO
C[NH+]1CCN(c2nc3ccccc3nc2[C@@H](C#N)S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000008871162	569480696	/nfs/dbraw/zinc/48/06/96/569480696.db2.gz	VGAISETXQCAKIB-LJQANCHMSA-N	1	2	425.489	2.559	50	30		IFEALO
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1	ZINC000008981578	569494485	/nfs/dbraw/zinc/49/44/85/569494485.db2.gz	CPCGWLFQLTYAHT-HOGKFDNTSA-N	1	2	436.508	2.839	50	30		IFEALO
Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)o1	ZINC000009186726	569510267	/nfs/dbraw/zinc/51/02/67/569510267.db2.gz	GTDSUVHGKREZPF-YDJIHCHBSA-N	1	2	428.460	2.871	50	30		IFEALO
COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1	ZINC000009274436	569518165	/nfs/dbraw/zinc/51/81/65/569518165.db2.gz	FWGVVEPHQDENLZ-YDJIHCHBSA-N	1	2	442.537	2.901	50	30		IFEALO
C#CCOC[C@@H](O)C[N@H+](Cc1ccc(F)cc1F)C[C@H]1CC(c2ccc(OC)cc2)=NO1	ZINC000036147054	518303181	/nfs/dbraw/zinc/30/31/81/518303181.db2.gz	OZTBLHYWLHGISL-RBBKRZOGSA-N	1	2	444.478	2.979	50	30		IFEALO
C#CCOC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1F)C[C@H]1CC(c2ccc(OC)cc2)=NO1	ZINC000036147054	518303187	/nfs/dbraw/zinc/30/31/87/518303187.db2.gz	OZTBLHYWLHGISL-RBBKRZOGSA-N	1	2	444.478	2.979	50	30		IFEALO
C=CCn1c(SCC(=O)N2CC[NH+](C)CC2)nc2sc3c(c2c1=O)CC[C@@H](C)C3	ZINC000057494381	519202612	/nfs/dbraw/zinc/20/26/12/519202612.db2.gz	VLBMMZBXOVGLRU-CQSZACIVSA-N	1	2	432.615	2.635	50	30		IFEALO
C=CCn1c(SCC(=O)N2CC[NH+](C)CC2)nc2sc3c(c2c1=O)CC[C@H](C)C3	ZINC000057494387	519202977	/nfs/dbraw/zinc/20/29/77/519202977.db2.gz	VLBMMZBXOVGLRU-AWEZNQCLSA-N	1	2	432.615	2.635	50	30		IFEALO
C[NH+](C)c1ccc(N2/C(=N/C(=O)CCc3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000013571684	522217584	/nfs/dbraw/zinc/21/75/84/522217584.db2.gz	RJGSQMPEAPIPQW-VMDIXPSDSA-N	1	2	443.594	2.987	50	30		IFEALO
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1	ZINC000013120461	525389339	/nfs/dbraw/zinc/38/93/39/525389339.db2.gz	FWPZQDZTLOPSID-QFIPXVFZSA-N	1	2	436.508	2.996	50	30		IFEALO
N#Cc1c(NC(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)sc2c1CCCC2	ZINC000020493969	526529999	/nfs/dbraw/zinc/52/99/99/526529999.db2.gz	DFCUGAMGSKZFQX-UHFFFAOYSA-N	1	2	438.553	2.984	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1cccnc1)c1ccc2c(c1)OCCO2	ZINC000090530617	527672336	/nfs/dbraw/zinc/67/23/36/527672336.db2.gz	HIZUAWHEKXEMSQ-OAQYLSRUSA-N	1	2	446.463	2.718	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccncc1)c1ccc(F)cc1	ZINC000008871734	556230068	/nfs/dbraw/zinc/23/00/68/556230068.db2.gz	IARIQUGALBKSSK-HXUWFJFHSA-N	1	2	425.460	2.521	50	30		IFEALO
O=C(c1cccs1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccc(O)c1	ZINC000020065305	556978201	/nfs/dbraw/zinc/97/82/01/556978201.db2.gz	YZZCKMFKMRNVOD-LJQANCHMSA-N	1	2	428.510	2.754	50	30		IFEALO
COc1cc(OC)cc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2cc(C)cc(C)c2)c1	ZINC000046134585	557041259	/nfs/dbraw/zinc/04/12/59/557041259.db2.gz	SRUPWRQRRJMISG-UHFFFAOYSA-N	1	2	440.544	2.851	50	30		IFEALO
COc1ccc(NC(=NC(=O)c2ccc(C)cc2)NCC[NH+]2CCOCC2)cc1OC	ZINC000046134983	557041601	/nfs/dbraw/zinc/04/16/01/557041601.db2.gz	YEHVTUSOJJLMKZ-UHFFFAOYSA-N	1	2	426.517	2.542	50	30		IFEALO
CCc1ccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2ccc3c(c2)OCCO3)cc1	ZINC000046135076	557041849	/nfs/dbraw/zinc/04/18/49/557041849.db2.gz	HCLAILZDOXYCGR-UHFFFAOYSA-N	1	2	438.528	2.550	50	30		IFEALO
COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(N[C@H]2C[NH+]3CCC2CC3)C[C@H]1C	ZINC000604404404	557247264	/nfs/dbraw/zinc/24/72/64/557247264.db2.gz	GLGROFBUNPJERR-KWDRZOKMSA-N	1	2	446.931	2.848	50	30		IFEALO
Cc1cccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc([NH+](C)C)cc2)c1	ZINC000101300137	557270783	/nfs/dbraw/zinc/27/07/83/557270783.db2.gz	SRXUFPVRMLGELQ-ANUZPMASSA-N	1	2	443.594	2.905	50	30		IFEALO
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccncc1	ZINC000102495391	557335657	/nfs/dbraw/zinc/33/56/57/557335657.db2.gz	ADZDURRKDMPRIO-PGVNHDJNSA-N	1	2	442.479	2.746	50	30		IFEALO
Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccncc1	ZINC000102495391	557335661	/nfs/dbraw/zinc/33/56/61/557335661.db2.gz	ADZDURRKDMPRIO-PGVNHDJNSA-N	1	2	442.479	2.746	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1	ZINC000102600185	557357781	/nfs/dbraw/zinc/35/77/81/557357781.db2.gz	UYQBRZKVAVGRDQ-JBCNATCCSA-N	1	2	440.471	2.675	50	30		IFEALO
NC(=[NH+]OCC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccccc1	ZINC000023656374	557370930	/nfs/dbraw/zinc/37/09/30/557370930.db2.gz	ABYLHQCSCDBMMI-UHFFFAOYSA-N	1	2	430.530	2.527	50	30		IFEALO
CCOc1ccccc1N1C[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1=O	ZINC000023805384	557375528	/nfs/dbraw/zinc/37/55/28/557375528.db2.gz	PJRMZOASMWOCKZ-NRFANRHFSA-N	1	2	432.524	2.654	50	30		IFEALO
CCOc1ccccc1N1C[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1=O	ZINC000023805386	557375664	/nfs/dbraw/zinc/37/56/64/557375664.db2.gz	PJRMZOASMWOCKZ-OAQYLSRUSA-N	1	2	432.524	2.654	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc(Cl)cc1)c1ccncc1	ZINC000102930667	557414004	/nfs/dbraw/zinc/41/40/04/557414004.db2.gz	HOZDJLGTBDWIEX-NHFXJNLRSA-N	1	2	441.915	2.879	50	30		IFEALO
C=CC[NH+]1CCN(C(=O)c2coc(CN3CCC(C(C)=O)(c4ccccc4)CC3)n2)CC1	ZINC000034685148	557848411	/nfs/dbraw/zinc/84/84/11/557848411.db2.gz	QFKUYSBWGWWJGI-UHFFFAOYSA-N	1	2	436.556	2.741	50	30		IFEALO
C=CCCOc1cccc(-c2nnc(CCC(=O)NCC[NH+]3CCCCC3)c(=O)[nH]2)c1	ZINC000034765856	568867265	/nfs/dbraw/zinc/86/72/65/568867265.db2.gz	FPXLLAOXSWSSIA-UHFFFAOYSA-N	1	2	425.533	2.734	50	30		IFEALO
CCCCc1nc(N2CC[NH+](CC(=O)N3CCCC3)CC2)c(C#N)c2c1COC(C)(C)C2	ZINC000095473655	569372510	/nfs/dbraw/zinc/37/25/10/569372510.db2.gz	ZWAAQMMPUYFEKJ-UHFFFAOYSA-N	1	2	439.604	2.892	50	30		IFEALO
CCOC(=O)c1ccc(S(=O)(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1	ZINC000057703650	569440999	/nfs/dbraw/zinc/44/09/99/569440999.db2.gz	KJDBZTRAZSKPCX-UHFFFAOYSA-N	1	2	427.526	2.632	50	30		IFEALO
CCOC(=O)c1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1	ZINC000057703650	569441000	/nfs/dbraw/zinc/44/10/00/569441000.db2.gz	KJDBZTRAZSKPCX-UHFFFAOYSA-N	1	2	427.526	2.632	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccccn1)c1ccc(F)cc1	ZINC000008860146	569479849	/nfs/dbraw/zinc/47/98/49/569479849.db2.gz	NYKRNBCIGVYNIF-FQEVSTJZSA-N	1	2	425.460	2.521	50	30		IFEALO
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1	ZINC000008981588	569494440	/nfs/dbraw/zinc/49/44/40/569494440.db2.gz	CPCGWLFQLTYAHT-MOBKVPTQSA-N	1	2	436.508	2.839	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccnc1)c1ccc(Cl)cc1	ZINC000009008788	569496353	/nfs/dbraw/zinc/49/63/53/569496353.db2.gz	MBVXHTOJQFZPNE-YDJIHCHBSA-N	1	2	441.915	2.879	50	30		IFEALO
C=CCn1c(C)nnc1SCC(=O)N1CC[NH+](Cc2cc(OC)c(OC)cc2C)CC1	ZINC000022091072	519172320	/nfs/dbraw/zinc/17/23/20/519172320.db2.gz	ZQIFEMSBLCMECE-UHFFFAOYSA-N	1	2	445.589	2.535	50	30		IFEALO
COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(C[NH+]2CCOCC2)c(C)cc1C	ZINC000066089574	522892931	/nfs/dbraw/zinc/89/29/31/522892931.db2.gz	CRJNPOYJKKAUBI-HXUWFJFHSA-N	1	2	426.513	2.600	50	30		IFEALO
COc1ccc(C(=O)/N=C2\S[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc([NH+](C)C)cc2)cc1	ZINC000008992989	523547114	/nfs/dbraw/zinc/54/71/14/523547114.db2.gz	ZLVRNZYYAMVVHS-ZPTLURPKSA-N	1	2	445.566	2.676	50	30		IFEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccncc2)c(OC)c1	ZINC000013692759	523556205	/nfs/dbraw/zinc/55/62/05/523556205.db2.gz	PDQRAPUNCHVUPF-OAQYLSRUSA-N	1	2	448.479	2.964	50	30		IFEALO
Cc1cccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc([NH+](C)C)cc2)c1	ZINC000013556383	524336788	/nfs/dbraw/zinc/33/67/88/524336788.db2.gz	SRXUFPVRMLGELQ-JGNZBCPXSA-N	1	2	443.594	2.905	50	30		IFEALO
COc1ccc(NC(=O)CO[NH+]=C(N)c2ccc(-n3nc(C)cc3C)nc2)cc1Cl	ZINC000058023039	524499721	/nfs/dbraw/zinc/49/97/21/524499721.db2.gz	QYUXRGNTYUXPAG-UHFFFAOYSA-N	1	2	428.880	2.822	50	30		IFEALO
Cc1cc(C)nc(NC(=NC(=O)NC2C3CC4CC(C3)CC2C4)NCCc2c[nH]c[nH+]2)n1	ZINC000012652019	524576552	/nfs/dbraw/zinc/57/65/52/524576552.db2.gz	HFEORSBCDLZJAV-UHFFFAOYSA-N	1	2	436.564	2.951	50	30		IFEALO
Cc1cc(C)nc(N=C(NCCc2c[nH]c[nH+]2)NC(=O)NC2C3CC4CC(C3)CC2C4)n1	ZINC000012652019	524576560	/nfs/dbraw/zinc/57/65/60/524576560.db2.gz	HFEORSBCDLZJAV-UHFFFAOYSA-N	1	2	436.564	2.951	50	30		IFEALO
COc1ccc([C@H]2C(C(=O)c3c(C)n[nH]c3C)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1	ZINC000013692052	525386255	/nfs/dbraw/zinc/38/62/55/525386255.db2.gz	XMYFJYLTNMUJFW-FQEVSTJZSA-N	1	2	435.484	2.900	50	30		IFEALO
Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[NH+](CC(=O)NC(C)(C)C)CC2)c1C#N	ZINC000021306754	525680058	/nfs/dbraw/zinc/68/00/58/525680058.db2.gz	RQIIEQPHDAWIES-UHFFFAOYSA-N	1	2	442.608	2.563	50	30		IFEALO
Cc1c(C)n(C[C@H]2CCCO2)c(NC(=O)CN2CC[NH+](Cc3ccsc3)CC2)c1C#N	ZINC000022790934	525683601	/nfs/dbraw/zinc/68/36/01/525683601.db2.gz	GAHOTMPMJKGACC-HXUWFJFHSA-N	1	2	441.601	2.973	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccco1)c1ccc2c(c1)OCCO2	ZINC000095483296	527672682	/nfs/dbraw/zinc/67/26/82/527672682.db2.gz	VIUJQTZMIZOEFE-HXUWFJFHSA-N	1	2	435.436	2.916	50	30		IFEALO
CC(=O)Nc1ccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2ccc(C)c(C)c2)cc1	ZINC000046133808	557040529	/nfs/dbraw/zinc/04/05/29/557040529.db2.gz	JWYDGFXHHPOPHT-UHFFFAOYSA-N	1	2	437.544	2.792	50	30		IFEALO
CC(=O)Nc1cccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2ccc(C)cc2C)c1	ZINC000046134010	557040893	/nfs/dbraw/zinc/04/08/93/557040893.db2.gz	HZNUSBWUMFTTOK-UHFFFAOYSA-N	1	2	437.544	2.792	50	30		IFEALO
O=C(CN1CC[NH+](CC(=O)N2CCCCCC2)CC1)NCCc1c[nH]c2ccccc12	ZINC000023247965	557125730	/nfs/dbraw/zinc/12/57/30/557125730.db2.gz	KAWARAGUFPKRJY-UHFFFAOYSA-N	1	2	425.577	2.687	50	30		IFEALO
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccncc2)cc1F	ZINC000008951547	557127729	/nfs/dbraw/zinc/12/77/29/557127729.db2.gz	LEOHYMLISDOMPQ-NRFANRHFSA-N	1	2	439.487	2.830	50	30		IFEALO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccccc2F)c(C)n1	ZINC000102748344	557378913	/nfs/dbraw/zinc/37/89/13/557378913.db2.gz	FUQRZOAQEHDGDM-YDJIHCHBSA-N	1	2	435.459	2.941	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccccn1)c1ccc2c(c1)OCCO2	ZINC000102895953	557406511	/nfs/dbraw/zinc/40/65/11/557406511.db2.gz	XWSIHZJGBZGANT-MRJHHRETSA-N	1	2	446.463	2.561	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccco1)c1ccc2c(c1)OCCO2	ZINC000102649955	568621390	/nfs/dbraw/zinc/62/13/90/568621390.db2.gz	HITBEZUBSJIQAV-YDJIHCHBSA-N	1	2	435.436	2.759	50	30		IFEALO
N#CCCN(CC[NH+]1CCOCC1)Cc1cc(Br)cc(Br)c1N	ZINC000170596328	569141915	/nfs/dbraw/zinc/14/19/15/569141915.db2.gz	DXFDEEGQPIIASK-UHFFFAOYSA-N	1	2	446.187	2.842	50	30		IFEALO
COc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1	ZINC000020057765	569332923	/nfs/dbraw/zinc/33/29/23/569332923.db2.gz	BGGWDOKFISSYPI-HXUWFJFHSA-N	1	2	426.469	2.589	50	30		IFEALO
COc1ccccc1[C@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1CCC[NH+]1CCOCC1	ZINC000020100525	569333992	/nfs/dbraw/zinc/33/39/92/569333992.db2.gz	RVKUNPHQTUWRGT-FQEVSTJZSA-N	1	2	426.469	2.589	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccc(O)c1)c1ccc(F)cc1	ZINC000020171752	569354419	/nfs/dbraw/zinc/35/44/19/569354419.db2.gz	KQQVMJXNBLSFTE-OAQYLSRUSA-N	1	2	440.471	2.832	50	30		IFEALO
O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccnc1	ZINC000020189612	569355614	/nfs/dbraw/zinc/35/56/14/569355614.db2.gz	SAYVUDUVZUBFES-ZUTVHTERSA-N	1	2	433.508	2.782	50	30		IFEALO
C=CCc1ccc(OC[C@@H](O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(OC)c1	ZINC000020347388	569361132	/nfs/dbraw/zinc/36/11/32/569361132.db2.gz	GQWDQVHRPTVHKR-NRFANRHFSA-N	1	2	440.540	2.710	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccc(O)c1)c1ccc(F)cc1	ZINC000009375052	569527201	/nfs/dbraw/zinc/52/72/01/569527201.db2.gz	DSYUUQGXLGSBKQ-JBCNATCCSA-N	1	2	440.471	2.675	50	30		IFEALO
CC(C)c1nc(N2CC[NH+](CC(=O)N3CCCC3)CC2)c(C#N)c2c1COC(C)(C)C2	ZINC000006764623	132278664	/nfs/dbraw/zinc/27/86/64/132278664.db2.gz	MUXDQXYJOGUTFY-UHFFFAOYSA-N	1	2	425.577	2.672	50	30		IFEALO
CC[N@@H+](CC(=O)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)C[C@@H](C)C#N	ZINC000040158307	520331864	/nfs/dbraw/zinc/33/18/64/520331864.db2.gz	QERDTFIBARRWAD-XGHPXPSOSA-N	1	2	434.949	2.974	50	30		IFEALO
CC[N@H+](CC(=O)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)C[C@@H](C)C#N	ZINC000040158307	520331874	/nfs/dbraw/zinc/33/18/74/520331874.db2.gz	QERDTFIBARRWAD-XGHPXPSOSA-N	1	2	434.949	2.974	50	30		IFEALO
COc1ccc(/C=N/n2cnc3c4cc(F)ccc4[nH]c3c2=O)cc1C[NH+]1CCOCC1	ZINC000020443545	523457673	/nfs/dbraw/zinc/45/76/73/523457673.db2.gz	GFJJIDOHGXHZNO-RPPGKUMJSA-N	1	2	435.459	2.740	50	30		IFEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccncc2)cc1OC	ZINC000096514187	523557058	/nfs/dbraw/zinc/55/70/58/523557058.db2.gz	BDRRYJYXVAFIPX-NRFANRHFSA-N	1	2	448.479	2.964	50	30		IFEALO
COCC[NH+](CCOC)Cc1c2c(ccc1O)C(=O)/C(=C/c1ccc3c(c1)OCO3)O2	ZINC000020503822	523718797	/nfs/dbraw/zinc/71/87/97/523718797.db2.gz	LEPNUQHRSFBRGV-MTJSOVHGSA-N	1	2	427.453	2.832	50	30		IFEALO
NC1=C(c2nc3ccccc3s2)C(=O)CN1CC[NH+]1CCN(c2ccccc2F)CC1	ZINC000064838169	527137329	/nfs/dbraw/zinc/13/73/29/527137329.db2.gz	BHMBWVYCMUPJHA-UHFFFAOYSA-N	1	2	437.544	2.770	50	30		IFEALO
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccncc1	ZINC000013127331	527176562	/nfs/dbraw/zinc/17/65/62/527176562.db2.gz	ARRXHMFQZZQUKN-OAQYLSRUSA-N	1	2	442.479	2.903	50	30		IFEALO
Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccncc1	ZINC000013127331	527176564	/nfs/dbraw/zinc/17/65/64/527176564.db2.gz	ARRXHMFQZZQUKN-OAQYLSRUSA-N	1	2	442.479	2.903	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccco1)c1ccc2c(c1)OCCO2	ZINC000095483297	527671685	/nfs/dbraw/zinc/67/16/85/527671685.db2.gz	VIUJQTZMIZOEFE-FQEVSTJZSA-N	1	2	435.436	2.916	50	30		IFEALO
CN(C)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1	ZINC000008438652	556174599	/nfs/dbraw/zinc/17/45/99/556174599.db2.gz	KBSLQWDAPGUWCK-NRFANRHFSA-N	1	2	439.512	2.646	50	30		IFEALO
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccco1	ZINC000013728751	556721256	/nfs/dbraw/zinc/72/12/56/556721256.db2.gz	DXHMHFNZGNANTM-HXUWFJFHSA-N	1	2	444.459	2.728	50	30		IFEALO
COCCN=C1Nc2ccccc2C[NH2+][C@]12CCN(C(=O)c1cc(-c3ccccc3)n[nH]1)C2	ZINC000097096904	556984652	/nfs/dbraw/zinc/98/46/52/556984652.db2.gz	RLWXZRVHXHZLKL-VWLOTQADSA-N	1	2	444.539	2.922	50	30		IFEALO
COc1cc(OC)cc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2cccc(C)c2)c1	ZINC000046134203	557040786	/nfs/dbraw/zinc/04/07/86/557040786.db2.gz	RWNKLZDIKSMHAL-UHFFFAOYSA-N	1	2	426.517	2.542	50	30		IFEALO
COC(=O)c1ccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2cc(C)cc(C)c2)cc1	ZINC000046134581	557041210	/nfs/dbraw/zinc/04/12/10/557041210.db2.gz	OOXLYBRTKYWAFF-UHFFFAOYSA-N	1	2	438.528	2.620	50	30		IFEALO
COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(N[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C	ZINC000604404405	557247257	/nfs/dbraw/zinc/24/72/57/557247257.db2.gz	GLGROFBUNPJERR-RBMQBQHJSA-N	1	2	446.931	2.848	50	30		IFEALO
C[NH+](C)c1ccc(N2C(=NC(=O)Cc3ccc(F)cc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000101300074	557270727	/nfs/dbraw/zinc/27/07/27/557270727.db2.gz	BNUGARDWMKBROQ-FZVFMAQTSA-N	1	2	447.557	2.736	50	30		IFEALO
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccccc2)s1	ZINC000102494003	557335525	/nfs/dbraw/zinc/33/55/25/557335525.db2.gz	FMMYVDNKCJPEEE-WOOAAIBNSA-N	1	2	441.553	2.904	50	30		IFEALO
COc1ccccc1[C@@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1CCC[NH+]1CCOCC1	ZINC000102500495	557337890	/nfs/dbraw/zinc/33/78/90/557337890.db2.gz	NWQDKDZAAUMLCQ-YDJIHCHBSA-N	1	2	442.537	2.901	50	30		IFEALO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccs2)c1	ZINC000102513839	557350349	/nfs/dbraw/zinc/35/03/49/557350349.db2.gz	HUASGRHZLIHGOR-YDJIHCHBSA-N	1	2	442.537	2.901	50	30		IFEALO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(F)cc2)c(C)n1	ZINC000102740719	557375986	/nfs/dbraw/zinc/37/59/86/557375986.db2.gz	NOOUNUUXRRBOBI-NHFXJNLRSA-N	1	2	435.459	2.941	50	30		IFEALO
COc1ccc([C@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1	ZINC000102741733	557376394	/nfs/dbraw/zinc/37/63/94/557376394.db2.gz	PWPRDWWORAHHCH-MRJHHRETSA-N	1	2	449.511	2.754	50	30		IFEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cccnc2)c(OC)c1	ZINC000102745026	557377683	/nfs/dbraw/zinc/37/76/83/557377683.db2.gz	MFBOUOXHIHQOCJ-JBCNATCCSA-N	1	2	448.479	2.807	50	30		IFEALO
COc1cccc([C@@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1	ZINC000102751955	557383141	/nfs/dbraw/zinc/38/31/41/557383141.db2.gz	KZBDPXOJPBPKGK-JBCNATCCSA-N	1	2	449.511	2.754	50	30		IFEALO
C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1	ZINC000015880102	568853937	/nfs/dbraw/zinc/85/39/37/568853937.db2.gz	QIYWUIITSNHXSG-UHFFFAOYSA-N	1	2	432.571	2.746	50	30		IFEALO
C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1	ZINC000015880102	568853938	/nfs/dbraw/zinc/85/39/38/568853938.db2.gz	QIYWUIITSNHXSG-UHFFFAOYSA-N	1	2	432.571	2.746	50	30		IFEALO
COc1ccccc1[C@@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1CCC[NH+]1CCOCC1	ZINC000020100528	569333920	/nfs/dbraw/zinc/33/39/20/569333920.db2.gz	RVKUNPHQTUWRGT-HXUWFJFHSA-N	1	2	426.469	2.589	50	30		IFEALO
COCC[NH+]=C1Nc2ccccc2N[C@]12CCCN(S(=O)(=O)c1cccc(OC)c1)C2	ZINC000097077644	569402924	/nfs/dbraw/zinc/40/29/24/569402924.db2.gz	NGJLUVFJMJNTEL-QFIPXVFZSA-N	1	2	444.557	2.801	50	30		IFEALO
COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1	ZINC000008996882	569495916	/nfs/dbraw/zinc/49/59/16/569495916.db2.gz	ORBHBZJOGFSICS-MOBKVPTQSA-N	1	2	436.508	2.839	50	30		IFEALO
Cc1cccc(N2C(=O)S[C@@H](SC(=[NH2+])Nc3ccc(S(N)(=O)=O)cc3)C2=O)c1	ZINC000009309435	569521560	/nfs/dbraw/zinc/52/15/60/569521560.db2.gz	PNCJJWLEHRCDSM-OAHLLOKOSA-N	1	2	436.540	2.548	50	30		IFEALO
CC[N@@H+](CC(=O)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)C[C@H](C)C#N	ZINC000040158308	520333729	/nfs/dbraw/zinc/33/37/29/520333729.db2.gz	QERDTFIBARRWAD-AYCSXLNKSA-N	1	2	434.949	2.974	50	30		IFEALO
CC[N@H+](CC(=O)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)C[C@H](C)C#N	ZINC000040158308	520333734	/nfs/dbraw/zinc/33/37/34/520333734.db2.gz	QERDTFIBARRWAD-AYCSXLNKSA-N	1	2	434.949	2.974	50	30		IFEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccncc2)c(OC)c1	ZINC000013692760	523558055	/nfs/dbraw/zinc/55/80/55/523558055.db2.gz	PDQRAPUNCHVUPF-NRFANRHFSA-N	1	2	448.479	2.964	50	30		IFEALO
Cc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc([NH+](C)C)cc2)cc1	ZINC000013176206	524243356	/nfs/dbraw/zinc/24/33/56/524243356.db2.gz	IGPVIQBUMPLRSZ-MFHOCOOASA-N	1	2	443.594	2.905	50	30		IFEALO
Cc1c(C)n(C[C@@H]2CCCO2)c(NC(=O)CN2CC[NH+](Cc3ccsc3)CC2)c1C#N	ZINC000022790927	525682199	/nfs/dbraw/zinc/68/21/99/525682199.db2.gz	GAHOTMPMJKGACC-FQEVSTJZSA-N	1	2	441.601	2.973	50	30		IFEALO
O=C(c1cccs1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccc(O)c1	ZINC000020065307	526832468	/nfs/dbraw/zinc/83/24/68/526832468.db2.gz	YZZCKMFKMRNVOD-IBGZPJMESA-N	1	2	428.510	2.754	50	30		IFEALO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cccc(F)c2)c(C)n1	ZINC000102743351	527219199	/nfs/dbraw/zinc/21/91/99/527219199.db2.gz	WTGMTJDHBUNOGP-YDJIHCHBSA-N	1	2	435.459	2.941	50	30		IFEALO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccco2)c1	ZINC000008858604	556228164	/nfs/dbraw/zinc/22/81/64/556228164.db2.gz	SFPXOWZMJMUKMW-FQEVSTJZSA-N	1	2	426.469	2.589	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccncc1)c1ccc(F)cc1	ZINC000008871735	556230028	/nfs/dbraw/zinc/23/00/28/556230028.db2.gz	IARIQUGALBKSSK-FQEVSTJZSA-N	1	2	425.460	2.521	50	30		IFEALO
COc1ccc(N2C(=O)C[C@H](SC(=N)N[NH+]=Cc3ccc(N(C)C)cc3)C2=O)cc1	ZINC000252621808	556692938	/nfs/dbraw/zinc/69/29/38/556692938.db2.gz	NHDFFRKHODCVLU-SFHVURJKSA-N	1	2	425.514	2.685	50	30		IFEALO
COCCN=C1Nc2ccccc2C[NH2+][C@@]12CCN(C(=O)c1cc(-c3ccccc3)n[nH]1)C2	ZINC000097096900	556984570	/nfs/dbraw/zinc/98/45/70/556984570.db2.gz	RLWXZRVHXHZLKL-RUZDIDTESA-N	1	2	444.539	2.922	50	30		IFEALO
Cc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc([NH+](C)C)cc2)cc1	ZINC000097968466	556989306	/nfs/dbraw/zinc/98/93/06/556989306.db2.gz	IGPVIQBUMPLRSZ-SBONIWPVSA-N	1	2	443.594	2.905	50	30		IFEALO
COc1cc(OC)cc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2ccccc2C)c1	ZINC000046133649	557040552	/nfs/dbraw/zinc/04/05/52/557040552.db2.gz	LMUDZOYOHCUSMM-UHFFFAOYSA-N	1	2	426.517	2.542	50	30		IFEALO
CC(=O)Nc1ccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2ccc(C)cc2C)cc1	ZINC000046133983	557040963	/nfs/dbraw/zinc/04/09/63/557040963.db2.gz	FSEGHVVPBFVUJR-UHFFFAOYSA-N	1	2	437.544	2.792	50	30		IFEALO
COc1cc(OC)cc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2cc(C)ccc2C)c1	ZINC000046134061	557041005	/nfs/dbraw/zinc/04/10/05/557041005.db2.gz	OPHOTKJOYQMNKG-UHFFFAOYSA-N	1	2	440.544	2.851	50	30		IFEALO
COC(=O)c1ccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2cccc(C)c2C)cc1	ZINC000046134648	557041266	/nfs/dbraw/zinc/04/12/66/557041266.db2.gz	KIENEEBDACSQSY-UHFFFAOYSA-N	1	2	438.528	2.620	50	30		IFEALO
C#CCOc1cccc([C@@H](CC(=O)OC)c2c(O)cc(C)n(CCc3c[nH+]c[nH]3)c2=O)c1	ZINC000604419329	557251594	/nfs/dbraw/zinc/25/15/94/557251594.db2.gz	TUROJCLNNMPNDM-HXUWFJFHSA-N	1	2	435.480	2.535	50	30		IFEALO
C#CCOc1cccc([C@@H](CC(=O)OC)c2c(O)cc(C)n(CCc3c[nH]c[nH+]3)c2=O)c1	ZINC000604419329	557251597	/nfs/dbraw/zinc/25/15/97/557251597.db2.gz	TUROJCLNNMPNDM-HXUWFJFHSA-N	1	2	435.480	2.535	50	30		IFEALO
Cc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc([NH+](C)C)cc2)cc1	ZINC000101300142	557270743	/nfs/dbraw/zinc/27/07/43/557270743.db2.gz	IGPVIQBUMPLRSZ-SFEJASTKSA-N	1	2	443.594	2.905	50	30		IFEALO
C[NH+](C)c1ccc(N2C(=NC(=O)Cc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000101299879	557270819	/nfs/dbraw/zinc/27/08/19/557270819.db2.gz	AVBSOGSGJRMHHK-QZDOXPCSSA-N	1	2	429.567	2.597	50	30		IFEALO
C[NH+](C)c1ccc(N2/C(=N\C(=O)CCc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000101300092	557270824	/nfs/dbraw/zinc/27/08/24/557270824.db2.gz	RJGSQMPEAPIPQW-SBONIWPVSA-N	1	2	443.594	2.987	50	30		IFEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccccc2)cc1	ZINC000102438568	557322967	/nfs/dbraw/zinc/32/29/67/557322967.db2.gz	BOKRSOQLMLCJBU-HOGKFDNTSA-N	1	2	436.508	2.839	50	30		IFEALO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1cccc(F)c1	ZINC000102746519	557378516	/nfs/dbraw/zinc/37/85/16/557378516.db2.gz	DGYAUFYVYZQPSH-NHFXJNLRSA-N	1	2	437.475	2.885	50	30		IFEALO
COc1ccccc1[C@@H]1C(C(=O)c2c(C)n[nH]c2C)=C(O)C(=O)N1CCCn1cc[nH+]c1	ZINC000102737416	557379486	/nfs/dbraw/zinc/37/94/86/557379486.db2.gz	BGUUKCBCIJRSSC-YDJIHCHBSA-N	1	2	435.484	2.744	50	30		IFEALO
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccccn1	ZINC000102750790	557382849	/nfs/dbraw/zinc/38/28/49/557382849.db2.gz	AYMMYVGEGAHADT-YDJIHCHBSA-N	1	2	436.443	2.938	50	30		IFEALO
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccncc1	ZINC000102875683	557396820	/nfs/dbraw/zinc/39/68/20/557396820.db2.gz	SXFRYTMTIQVQRF-MOBKVPTQSA-N	1	2	447.491	2.972	50	30		IFEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccs2)cc1	ZINC000102879372	557407396	/nfs/dbraw/zinc/40/73/96/557407396.db2.gz	NQMVJSIUNZXNNX-YDJIHCHBSA-N	1	2	442.537	2.901	50	30		IFEALO
Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccnc2)c1	ZINC000006530914	562947206	/nfs/dbraw/zinc/94/72/06/562947206.db2.gz	STUOVAWBURPGQZ-QFIPXVFZSA-N	1	2	435.524	2.999	50	30		IFEALO
N#Cc1cccc(S(=O)(=O)N2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)c1	ZINC000078958511	569320621	/nfs/dbraw/zinc/32/06/21/569320621.db2.gz	PHRNOTXFOCXEER-UHFFFAOYSA-N	1	2	443.554	2.609	50	30		IFEALO
C[NH+]1CCN(c2nc3ccccc3nc2[C@H](C#N)S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000008871163	569480707	/nfs/dbraw/zinc/48/07/07/569480707.db2.gz	VGAISETXQCAKIB-IBGZPJMESA-N	1	2	425.489	2.559	50	30		IFEALO
C=C(C)COc1cc2oc(=O)c(CC(=O)NCC[NH+]3CCOCC3)c(C)c2cc1Cl	ZINC000020590694	518611616	/nfs/dbraw/zinc/61/16/16/518611616.db2.gz	RFCZOTSTNRITMR-UHFFFAOYSA-N	1	2	434.920	2.701	50	30		IFEALO
COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc(O)c2CN2CC[NH+](C)CC2)C1=O	ZINC000020517741	522817060	/nfs/dbraw/zinc/81/70/60/522817060.db2.gz	QDQQRPQNTCZMMO-UUYOSTAYSA-N	1	2	440.496	2.782	50	30		IFEALO
COc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CC[NH+](C)CC3)C2=O)c(OC)c1OC	ZINC000020611247	523423109	/nfs/dbraw/zinc/42/31/09/523423109.db2.gz	KNUWKHZMKHXHJW-MOSHPQCFSA-N	1	2	440.496	2.782	50	30		IFEALO
COc1ccc(/C=N/c2cnn(C)c2C(=O)NCc2ccco2)cc1C[NH+]1CCOCC1	ZINC000022500717	523454841	/nfs/dbraw/zinc/45/48/41/523454841.db2.gz	ODTXAENNFXRWAB-ZMOGYAJESA-N	1	2	437.500	2.535	50	30		IFEALO
Cc1ccc(CNC(=O)c2nnc(CN3CC[NH+](Cc4ccc(C#N)cc4)CC3)s2)cc1	ZINC000023043019	524568519	/nfs/dbraw/zinc/56/85/19/524568519.db2.gz	GVFBKDMKPVOYEY-UHFFFAOYSA-N	1	2	446.580	2.966	50	30		IFEALO
N#Cc1ccccc1NC(=O)C(=O)NC[C@H](c1cccnc1)[N@@H+]1CCc2ccccc2C1	ZINC000020902073	526741823	/nfs/dbraw/zinc/74/18/23/526741823.db2.gz	CXXPFSDOKMTLMB-HSZRJFAPSA-N	1	2	425.492	2.808	50	30		IFEALO
N#Cc1ccccc1NC(=O)C(=O)NC[C@H](c1cccnc1)[N@H+]1CCc2ccccc2C1	ZINC000020902073	526741829	/nfs/dbraw/zinc/74/18/29/526741829.db2.gz	CXXPFSDOKMTLMB-HSZRJFAPSA-N	1	2	425.492	2.808	50	30		IFEALO
O=C(c1cccs1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc(O)cc1	ZINC000020081932	526831834	/nfs/dbraw/zinc/83/18/34/526831834.db2.gz	DOGLQFPTBTXKFR-IBGZPJMESA-N	1	2	428.510	2.754	50	30		IFEALO
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1cccnc1	ZINC000095483814	527176727	/nfs/dbraw/zinc/17/67/27/527176727.db2.gz	RSBNQZLFROQTHP-NRFANRHFSA-N	1	2	442.479	2.903	50	30		IFEALO
Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1cccnc1	ZINC000095483814	527176729	/nfs/dbraw/zinc/17/67/29/527176729.db2.gz	RSBNQZLFROQTHP-NRFANRHFSA-N	1	2	442.479	2.903	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccc(F)c1)c1ccncc1	ZINC000008827338	527670692	/nfs/dbraw/zinc/67/06/92/527670692.db2.gz	FOBARKVGJFOORI-HXUWFJFHSA-N	1	2	425.460	2.521	50	30		IFEALO
C=CCNC(=O)N1CCc2[nH+]c(N3CCN(c4ccccc4)CC3)nc(N(C)CC)c2C1	ZINC000034676906	555794995	/nfs/dbraw/zinc/79/49/95/555794995.db2.gz	BKVJBDQREFOLNS-UHFFFAOYSA-N	1	2	435.576	2.513	50	30		IFEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cccnc2)cc1OC	ZINC000096514188	556580407	/nfs/dbraw/zinc/58/04/07/556580407.db2.gz	RBOJEDRNYQBFCO-OAQYLSRUSA-N	1	2	448.479	2.964	50	30		IFEALO
N#Cc1cnn2c1[nH]c(C[NH+]1CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC1)cc2=O	ZINC000032932803	556676101	/nfs/dbraw/zinc/67/61/01/556676101.db2.gz	AENVPYUEVVZNKS-UHFFFAOYSA-N	1	2	447.377	2.556	50	30		IFEALO
COc1ccc(/C=N/n2cnc3c4cc(C)ccc4[nH]c3c2=O)cc1C[NH+]1CCOCC1	ZINC000019949437	556954437	/nfs/dbraw/zinc/95/44/37/556954437.db2.gz	OIWSRXZGDIGSIQ-LGJNPRDNSA-N	1	2	431.496	2.909	50	30		IFEALO
COc1cc(OC)cc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2ccc(C)c(C)c2)c1	ZINC000046133839	557040485	/nfs/dbraw/zinc/04/04/85/557040485.db2.gz	IHFKMZSYOAHXJW-UHFFFAOYSA-N	1	2	440.544	2.851	50	30		IFEALO
CC(=O)Nc1cccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2cccc(C)c2C)c1	ZINC000046134656	557041235	/nfs/dbraw/zinc/04/12/35/557041235.db2.gz	KEHCKOUEXAQUTB-UHFFFAOYSA-N	1	2	437.544	2.792	50	30		IFEALO
COc1ccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2cccc(C)c2C)cc1OC	ZINC000046134608	557041297	/nfs/dbraw/zinc/04/12/97/557041297.db2.gz	RTMCSKIYBJTXGP-UHFFFAOYSA-N	1	2	440.544	2.851	50	30		IFEALO
COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(NCCn2cc[nH+]c2)C[C@H]1C	ZINC000604405260	557248946	/nfs/dbraw/zinc/24/89/46/557248946.db2.gz	YELHQBSFTACFQZ-GTJPDFRWSA-N	1	2	431.876	2.650	50	30		IFEALO
C[NH+](C)c1ccc(N2C(=NC(=O)Cc3ccc(F)cc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000101300088	557270845	/nfs/dbraw/zinc/27/08/45/557270845.db2.gz	BNUGARDWMKBROQ-YMYHBSLRSA-N	1	2	447.557	2.736	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccncc1)c1ccc(Cl)cc1	ZINC000102527825	557354036	/nfs/dbraw/zinc/35/40/36/557354036.db2.gz	KHFACHTVVJFUEG-YDJIHCHBSA-N	1	2	441.915	2.879	50	30		IFEALO
O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccnc1	ZINC000102607864	557360747	/nfs/dbraw/zinc/36/07/47/557360747.db2.gz	IDRWPOYCXUOIHA-GMTFMRKUSA-N	1	2	433.508	2.782	50	30		IFEALO
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccccn1	ZINC000102708412	557367576	/nfs/dbraw/zinc/36/75/76/557367576.db2.gz	HLSOSYFKACLBSY-HOGKFDNTSA-N	1	2	447.491	2.972	50	30		IFEALO
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccccn1	ZINC000102708406	557367657	/nfs/dbraw/zinc/36/76/57/557367657.db2.gz	HLSOSYFKACLBSY-MOBKVPTQSA-N	1	2	447.491	2.972	50	30		IFEALO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc(F)cc1	ZINC000102740553	557380854	/nfs/dbraw/zinc/38/08/54/557380854.db2.gz	FZTYYTQAOWDVKC-NHFXJNLRSA-N	1	2	437.475	2.885	50	30		IFEALO
C=CCN1C(=O)c2ccc(C(=O)N[C@@H](c3[nH+]ccn3C)c3cccc(OC)c3)cc2C1=O	ZINC000024019470	557390803	/nfs/dbraw/zinc/39/08/03/557390803.db2.gz	ARMJANFPAFOXOI-HXUWFJFHSA-N	1	2	430.464	2.730	50	30		IFEALO
COc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3O)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000020309672	569359849	/nfs/dbraw/zinc/35/98/49/569359849.db2.gz	WSGWRGPPXQQXAW-HXUWFJFHSA-N	1	2	426.469	2.549	50	30		IFEALO
COCC[NH+]=C1Nc2ccccc2N[C@@]12CCCN(S(=O)(=O)c1ccc(OC)cc1)C2	ZINC000097077755	569403014	/nfs/dbraw/zinc/40/30/14/569403014.db2.gz	BWVJRWKDTJRUGN-JOCHJYFZSA-N	1	2	444.557	2.801	50	30		IFEALO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1	ZINC000095454669	521186220	/nfs/dbraw/zinc/18/62/20/521186220.db2.gz	GHTMAPMTXJSKCO-LPHOPBHVSA-N	1	2	432.366	2.640	50	30		IFEALO
COCC[NH+](CCOC)Cc1c2c(ccc1O)C(=O)/C(=C/c1ccc(C(=O)OC)cc1)O2	ZINC000020503763	523717764	/nfs/dbraw/zinc/71/77/64/523717764.db2.gz	GFNXWEFDFZKTAM-STZFKDTASA-N	1	2	441.480	2.890	50	30		IFEALO
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1cccnc1	ZINC000095483815	527176292	/nfs/dbraw/zinc/17/62/92/527176292.db2.gz	RSBNQZLFROQTHP-OAQYLSRUSA-N	1	2	442.479	2.903	50	30		IFEALO
Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1cccnc1	ZINC000095483815	527176298	/nfs/dbraw/zinc/17/62/98/527176298.db2.gz	RSBNQZLFROQTHP-OAQYLSRUSA-N	1	2	442.479	2.903	50	30		IFEALO
O=S(=O)(NCC#CC[N@@H+]1CCc2ccccc2C1)c1ccc(Br)s1	ZINC000077197681	527209445	/nfs/dbraw/zinc/20/94/45/527209445.db2.gz	SSWUQPJXPSTPBZ-UHFFFAOYSA-N	1	2	425.373	2.851	50	30		IFEALO
O=S(=O)(NCC#CC[N@H+]1CCc2ccccc2C1)c1ccc(Br)s1	ZINC000077197681	527209449	/nfs/dbraw/zinc/20/94/49/527209449.db2.gz	SSWUQPJXPSTPBZ-UHFFFAOYSA-N	1	2	425.373	2.851	50	30		IFEALO
CN(C)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1	ZINC000008438650	556174606	/nfs/dbraw/zinc/17/46/06/556174606.db2.gz	KBSLQWDAPGUWCK-OAQYLSRUSA-N	1	2	439.512	2.646	50	30		IFEALO
N#CCCc1c(=O)[nH]c(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)nc1-c1ccccc1	ZINC000010385524	556333794	/nfs/dbraw/zinc/33/37/94/556333794.db2.gz	CRXZEBINMFUECN-UHFFFAOYSA-N	1	2	443.507	2.944	50	30		IFEALO
COc1ccccc1[C@H]1C(C(=O)c2c(C)n[nH]c2C)=C(O)C(=O)N1CCCn1cc[nH+]c1	ZINC000013727388	556720472	/nfs/dbraw/zinc/72/04/72/556720472.db2.gz	ADEHNAQJNATPAX-FQEVSTJZSA-N	1	2	435.484	2.900	50	30		IFEALO
N#Cc1ccccc1NC(=O)C(=O)NC[C@@H](c1cccc2ccccc21)[NH+]1CCOCC1	ZINC000023107622	557002181	/nfs/dbraw/zinc/00/21/81/557002181.db2.gz	PMZHAIQQKJNCTJ-QHCPKHFHSA-N	1	2	428.492	2.840	50	30		IFEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2OC)c(O)c1	ZINC000020309610	557007114	/nfs/dbraw/zinc/00/71/14/557007114.db2.gz	NRSISNHIAAGCQN-FQEVSTJZSA-N	1	2	426.469	2.549	50	30		IFEALO
COC(=O)c1ccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2ccc(C)c(C)c2)cc1	ZINC000046133835	557040389	/nfs/dbraw/zinc/04/03/89/557040389.db2.gz	VXFQPYKSBASWJB-UHFFFAOYSA-N	1	2	438.528	2.620	50	30		IFEALO
COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1	ZINC000018198721	557250324	/nfs/dbraw/zinc/25/03/24/557250324.db2.gz	ZWOBWEIOFRSXBY-JOCHJYFZSA-N	1	2	436.508	2.996	50	30		IFEALO
COc1ccc(N2C(=O)C[C@@H](SC(=N)N[NH+]=Cc3ccc(N(C)C)cc3)C2=O)cc1	ZINC000100496364	557262391	/nfs/dbraw/zinc/26/23/91/557262391.db2.gz	NHDFFRKHODCVLU-ZMPUUUETSA-N	1	2	425.514	2.685	50	30		IFEALO
Cc1cccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccc([NH+](C)C)cc2)c1	ZINC000101300135	557270798	/nfs/dbraw/zinc/27/07/98/557270798.db2.gz	SRXUFPVRMLGELQ-LPDJZZSPSA-N	1	2	443.594	2.905	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccc(Cl)c1)c1ccncc1	ZINC000102488060	557331703	/nfs/dbraw/zinc/33/17/03/557331703.db2.gz	RSQKGQQVBWQHOW-YDJIHCHBSA-N	1	2	441.915	2.879	50	30		IFEALO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(F)cc2)c(C)n1	ZINC000102740726	557375896	/nfs/dbraw/zinc/37/58/96/557375896.db2.gz	NOOUNUUXRRBOBI-YDJIHCHBSA-N	1	2	435.459	2.941	50	30		IFEALO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1cccc(F)c1	ZINC000102746524	557378436	/nfs/dbraw/zinc/37/84/36/557378436.db2.gz	DGYAUFYVYZQPSH-YDJIHCHBSA-N	1	2	437.475	2.885	50	30		IFEALO
O=C(C#Cc1ccccc1)N1CCC[C@@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1	ZINC000023358744	568859705	/nfs/dbraw/zinc/85/97/05/568859705.db2.gz	ZLDKZAUTOZVJNK-HSZRJFAPSA-N	1	2	431.536	2.576	50	30		IFEALO
N#Cc1ccc(NC(=O)CC[NH+]2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1	ZINC000026227375	568875775	/nfs/dbraw/zinc/87/57/75/568875775.db2.gz	DFTYIGFPMPJCDX-UHFFFAOYSA-N	1	2	438.962	2.608	50	30		IFEALO
O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccnc1	ZINC000102674859	568888009	/nfs/dbraw/zinc/88/80/09/568888009.db2.gz	IDRWPOYCXUOIHA-OLGBENQWSA-N	1	2	433.508	2.782	50	30		IFEALO
CC1(C)CC(=O)C2=C(C1)Oc1ncn(CC[NH+]3CCOCC3)c(=N)c1[C@@H]2c1ccccc1	ZINC000002414156	569301310	/nfs/dbraw/zinc/30/13/10/569301310.db2.gz	HMUVWBQRHWAIOH-HXUWFJFHSA-N	1	2	434.540	2.862	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1cccnc1)c1ccc2c(c1)OCO2	ZINC000008845123	569478719	/nfs/dbraw/zinc/47/87/19/569478719.db2.gz	JITBZRJZSQUJCF-FQEVSTJZSA-N	1	2	432.436	2.675	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccccn1)c1ccc2c(c1)OCO2	ZINC000008845125	569478777	/nfs/dbraw/zinc/47/87/77/569478777.db2.gz	GJPCTCSOFDTHJE-FQEVSTJZSA-N	1	2	432.436	2.675	50	30		IFEALO
COc1ccc(C(=O)/N=C2\S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc([NH+](C)C)cc2)cc1	ZINC000008990932	569495236	/nfs/dbraw/zinc/49/52/36/569495236.db2.gz	ZLVRNZYYAMVVHS-DBWZVEGISA-N	1	2	445.566	2.676	50	30		IFEALO
C=C(C)CN1[NH+]=C(C)Cn2c1nc1c2c(=O)n(Cc2c(F)cccc2Cl)c(=O)n1C	ZINC000009060448	569499432	/nfs/dbraw/zinc/49/94/32/569499432.db2.gz	XFBCEXPSMIPRPC-UHFFFAOYSA-N	1	2	430.871	2.510	50	30		IFEALO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1	ZINC000095454671	521186464	/nfs/dbraw/zinc/18/64/64/521186464.db2.gz	GHTMAPMTXJSKCO-QFBILLFUSA-N	1	2	432.366	2.640	50	30		IFEALO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1	ZINC000095454672	521235420	/nfs/dbraw/zinc/23/54/20/521235420.db2.gz	GHTMAPMTXJSKCO-VQIMIIECSA-N	1	2	432.366	2.640	50	30		IFEALO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1	ZINC000095454670	521235791	/nfs/dbraw/zinc/23/57/91/521235791.db2.gz	GHTMAPMTXJSKCO-APWZRJJASA-N	1	2	432.366	2.640	50	30		IFEALO
C[NH+](C)c1ccc(N2/C(=N/C(=O)CCc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000013176205	522216900	/nfs/dbraw/zinc/21/69/00/522216900.db2.gz	RJGSQMPEAPIPQW-MFHOCOOASA-N	1	2	443.594	2.987	50	30		IFEALO
COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(C[NH+]2CCOCC2)c(C)cc1C	ZINC000066089576	522892330	/nfs/dbraw/zinc/89/23/30/522892330.db2.gz	CRJNPOYJKKAUBI-FQEVSTJZSA-N	1	2	426.513	2.600	50	30		IFEALO
COc1ccc2c(c1)[nH]c1c2ncn(/N=C/c2ccc(OC)c(C[NH+]3CCOCC3)c2)c1=O	ZINC000020331629	525596939	/nfs/dbraw/zinc/59/69/39/525596939.db2.gz	IACFGFOTOMSNPO-LGJNPRDNSA-N	1	2	447.495	2.609	50	30		IFEALO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1cccs1	ZINC000102753004	527603733	/nfs/dbraw/zinc/60/37/33/527603733.db2.gz	RBHXCBDNIKFUSQ-GHNGSUTGSA-N	1	2	425.514	2.807	50	30		IFEALO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C)o2)c1	ZINC000008858601	556227765	/nfs/dbraw/zinc/22/77/65/556227765.db2.gz	GZQUMOLSNVURTA-OAQYLSRUSA-N	1	2	440.496	2.897	50	30		IFEALO
C[NH+]=C(Nc1ccccc1OC)S[C@H]1CC(=O)N(c2ccc(C(=O)OC)cc2)C1=O	ZINC000018140570	556684670	/nfs/dbraw/zinc/68/46/70/556684670.db2.gz	MYOCWRMJHNNCNV-KRWDZBQOSA-N	1	2	427.482	2.754	50	30		IFEALO
COC(=O)c1ccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2ccc(C)cc2C)cc1	ZINC000046134002	557041010	/nfs/dbraw/zinc/04/10/10/557041010.db2.gz	LTALBWDIHSXPHW-UHFFFAOYSA-N	1	2	438.528	2.620	50	30		IFEALO
O=C(N=C(NCC[NH+]1CCOCC1)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1	ZINC000046135021	557041621	/nfs/dbraw/zinc/04/16/21/557041621.db2.gz	SDPCNLVXHAKUAB-UHFFFAOYSA-N	1	2	444.919	2.641	50	30		IFEALO
Cc1ccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2ccc3c(c2)OCCO3)cc1C	ZINC000046135034	557041673	/nfs/dbraw/zinc/04/16/73/557041673.db2.gz	QNYIQGKSIZVSPK-UHFFFAOYSA-N	1	2	438.528	2.605	50	30		IFEALO
C[NH+](C)c1ccc(N2/C(=N\C(=O)CCc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000101300104	557270774	/nfs/dbraw/zinc/27/07/74/557270774.db2.gz	RJGSQMPEAPIPQW-ANUZPMASSA-N	1	2	443.594	2.987	50	30		IFEALO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccs2)c1	ZINC000102513831	557350375	/nfs/dbraw/zinc/35/03/75/557350375.db2.gz	HUASGRHZLIHGOR-NHFXJNLRSA-N	1	2	442.537	2.901	50	30		IFEALO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C)o2)c1	ZINC000102518545	557350967	/nfs/dbraw/zinc/35/09/67/557350967.db2.gz	RPFVTAGCUVIVBU-JBCNATCCSA-N	1	2	440.496	2.741	50	30		IFEALO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccccc1F	ZINC000102736170	557373651	/nfs/dbraw/zinc/37/36/51/557373651.db2.gz	VLQFXBGQAHESDZ-NHFXJNLRSA-N	1	2	437.475	2.885	50	30		IFEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccncc2)c(OC)c1	ZINC000102738843	557380217	/nfs/dbraw/zinc/38/02/17/557380217.db2.gz	BXVCGTUEBUZGBR-JBCNATCCSA-N	1	2	448.479	2.807	50	30		IFEALO
COc1ccccc1[C@H]1C(C(=O)c2c(C)nn(C)c2C)=C(O)C(=O)N1CCCn1cc[nH+]c1	ZINC000102740352	557380833	/nfs/dbraw/zinc/38/08/33/557380833.db2.gz	RXRROVJSNDNJMC-MRJHHRETSA-N	1	2	449.511	2.754	50	30		IFEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccs2)cc1	ZINC000102879369	557407430	/nfs/dbraw/zinc/40/74/30/557407430.db2.gz	NQMVJSIUNZXNNX-NHFXJNLRSA-N	1	2	442.537	2.901	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc(Cl)cc1)c1ccncc1	ZINC000102930666	557414031	/nfs/dbraw/zinc/41/40/31/557414031.db2.gz	HOZDJLGTBDWIEX-YDJIHCHBSA-N	1	2	441.915	2.879	50	30		IFEALO
CCOc1ccc(N(C(C)=O)C2=C(N3CC[NH+](C)CC3)C(=O)c3ccccc3C2=O)cc1	ZINC000020060346	563023467	/nfs/dbraw/zinc/02/34/67/563023467.db2.gz	NIHCZHIORMNTKG-UHFFFAOYSA-N	1	2	433.508	2.976	50	30		IFEALO
Cc1nn(CC(=[NH2+])NOC(=O)c2ccc(F)cc2)c(=O)n1-c1ccc(C(C)(C)C)cc1	ZINC000008887698	569291890	/nfs/dbraw/zinc/29/18/90/569291890.db2.gz	VPCIGNGLPLXSRM-UHFFFAOYSA-N	1	2	425.464	2.908	50	30		IFEALO
COc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3O)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000020309670	569359745	/nfs/dbraw/zinc/35/97/45/569359745.db2.gz	WSGWRGPPXQQXAW-FQEVSTJZSA-N	1	2	426.469	2.549	50	30		IFEALO
COc1cc(OC)c(NC(=O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1Cl	ZINC000028972345	569423923	/nfs/dbraw/zinc/42/39/23/569423923.db2.gz	PVYAVPQUJHBMMD-UHFFFAOYSA-N	1	2	428.920	2.985	50	30		IFEALO
CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccco2)c1	ZINC000008951784	569489971	/nfs/dbraw/zinc/48/99/71/569489971.db2.gz	RROGGRTVFBLYJR-NRFANRHFSA-N	1	2	440.496	2.979	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccc(O)c1)c1ccc(F)cc1	ZINC000009375053	569527182	/nfs/dbraw/zinc/52/71/82/569527182.db2.gz	DSYUUQGXLGSBKQ-MRJHHRETSA-N	1	2	440.471	2.675	50	30		IFEALO
C=CC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)C[C@@H](O)COC(=O)CCC	ZINC000036205138	518800176	/nfs/dbraw/zinc/80/01/76/518800176.db2.gz	OXCITOQSJULHPL-HUUCEWRRSA-N	1	2	433.574	2.802	50	30		IFEALO
C=CC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)C[C@@H](O)COC(=O)CCC	ZINC000036205138	518800181	/nfs/dbraw/zinc/80/01/81/518800181.db2.gz	OXCITOQSJULHPL-HUUCEWRRSA-N	1	2	433.574	2.802	50	30		IFEALO
C=CC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)C[C@H](O)COC(=O)CCC	ZINC000036205141	518801092	/nfs/dbraw/zinc/80/10/92/518801092.db2.gz	OXCITOQSJULHPL-CABCVRRESA-N	1	2	433.574	2.802	50	30		IFEALO
C=CC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)C[C@H](O)COC(=O)CCC	ZINC000036205141	518801097	/nfs/dbraw/zinc/80/10/97/518801097.db2.gz	OXCITOQSJULHPL-CABCVRRESA-N	1	2	433.574	2.802	50	30		IFEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccccn2)c(OC)c1	ZINC000013692162	523556927	/nfs/dbraw/zinc/55/69/27/523556927.db2.gz	XDAJOQOYXFMNMD-NRFANRHFSA-N	1	2	448.479	2.964	50	30		IFEALO
N#Cc1ccccc1NC(=O)C(=O)NC[C@@H](c1cccnc1)[N@@H+]1CCc2ccccc2C1	ZINC000020902075	526741249	/nfs/dbraw/zinc/74/12/49/526741249.db2.gz	CXXPFSDOKMTLMB-QHCPKHFHSA-N	1	2	425.492	2.808	50	30		IFEALO
N#Cc1ccccc1NC(=O)C(=O)NC[C@@H](c1cccnc1)[N@H+]1CCc2ccccc2C1	ZINC000020902075	526741254	/nfs/dbraw/zinc/74/12/54/526741254.db2.gz	CXXPFSDOKMTLMB-QHCPKHFHSA-N	1	2	425.492	2.808	50	30		IFEALO
Cc1nc(CC(N)=[NH+]OCC(=O)Nc2cccc(I)c2)cs1	ZINC000040155647	526766929	/nfs/dbraw/zinc/76/69/29/526766929.db2.gz	DUMYXLMWKMLTFW-UHFFFAOYSA-N	1	2	430.271	2.526	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1cccnc1)c1ccc2c(c1)OCCO2	ZINC000102928484	526951685	/nfs/dbraw/zinc/95/16/85/526951685.db2.gz	AFVIDHPFQWTGFK-MRJHHRETSA-N	1	2	446.463	2.561	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1cccnc1)c1ccc2c(c1)OCCO2	ZINC000090530618	527671640	/nfs/dbraw/zinc/67/16/40/527671640.db2.gz	HIZUAWHEKXEMSQ-NRFANRHFSA-N	1	2	446.463	2.718	50	30		IFEALO
C[N@@H+]1CCc2c(C#N)c(SCC(=O)NCCc3ccccc3)nc(N3CCCC3)c2C1	ZINC000013692973	556711137	/nfs/dbraw/zinc/71/11/37/556711137.db2.gz	NNWOXVJIGPOPLA-UHFFFAOYSA-N	1	2	435.597	2.992	50	30		IFEALO
C[N@H+]1CCc2c(C#N)c(SCC(=O)NCCc3ccccc3)nc(N3CCCC3)c2C1	ZINC000013692973	556711138	/nfs/dbraw/zinc/71/11/38/556711138.db2.gz	NNWOXVJIGPOPLA-UHFFFAOYSA-N	1	2	435.597	2.992	50	30		IFEALO
Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccncc2)c1	ZINC000020166814	556993970	/nfs/dbraw/zinc/99/39/70/556993970.db2.gz	AFQCJLDEGWNMLX-QFIPXVFZSA-N	1	2	435.524	2.999	50	30		IFEALO
COc1ccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2ccc(C)c(C)c2)cc1OC	ZINC000046133788	557040473	/nfs/dbraw/zinc/04/04/73/557040473.db2.gz	SYKBXWKMHCCXHI-UHFFFAOYSA-N	1	2	440.544	2.851	50	30		IFEALO
COc1cc(OC)cc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2ccc(C)cc2)c1	ZINC000046134123	557040743	/nfs/dbraw/zinc/04/07/43/557040743.db2.gz	LNCMPQJBLHRMGD-UHFFFAOYSA-N	1	2	426.517	2.542	50	30		IFEALO
COc1ccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2cc(C)cc(C)c2)cc1OC	ZINC000046134535	557041196	/nfs/dbraw/zinc/04/11/96/557041196.db2.gz	BCECFDVNARVAMK-UHFFFAOYSA-N	1	2	440.544	2.851	50	30		IFEALO
CCc1[nH+]c2ccccc2n1CC(=O)Nc1cccc(S(=O)(=O)N=C2CCCN2)c1	ZINC000023908256	557124756	/nfs/dbraw/zinc/12/47/56/557124756.db2.gz	CIEQVUOXGJTMCC-UHFFFAOYSA-N	1	2	425.514	2.708	50	30		IFEALO
Cc1cccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc([NH+](C)C)cc2)c1	ZINC000101300127	557270804	/nfs/dbraw/zinc/27/08/04/557270804.db2.gz	SRXUFPVRMLGELQ-SBONIWPVSA-N	1	2	443.594	2.905	50	30		IFEALO
C[NH+](C)c1ccc(N2C(=NC(=O)Cc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000101299867	557270830	/nfs/dbraw/zinc/27/08/30/557270830.db2.gz	AVBSOGSGJRMHHK-NJOYMBDGSA-N	1	2	429.567	2.597	50	30		IFEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cccnc2)cc1F	ZINC000102743582	557376615	/nfs/dbraw/zinc/37/66/15/557376615.db2.gz	QNIYLFJEXCUPHY-YDJIHCHBSA-N	1	2	436.443	2.938	50	30		IFEALO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc(F)cc1	ZINC000102740556	557380934	/nfs/dbraw/zinc/38/09/34/557380934.db2.gz	FZTYYTQAOWDVKC-YDJIHCHBSA-N	1	2	437.475	2.885	50	30		IFEALO
COc1cccc([C@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1	ZINC000102751952	557383067	/nfs/dbraw/zinc/38/30/67/557383067.db2.gz	KZBDPXOJPBPKGK-MRJHHRETSA-N	1	2	449.511	2.754	50	30		IFEALO
N#CC1(NC(=O)c2ccc(S(=O)(=O)N3CCC(c4[nH]cc[nH+]4)CC3)cc2)CCCC1	ZINC000408520910	557413260	/nfs/dbraw/zinc/41/32/60/557413260.db2.gz	AVIFLOOXBITRAR-UHFFFAOYSA-N	1	2	427.530	2.544	50	30		IFEALO
N#CC1(NC(=O)c2cccc(S(=O)(=O)N3CCC(c4[nH]cc[nH+]4)CC3)c2)CCCC1	ZINC000408525083	557413820	/nfs/dbraw/zinc/41/38/20/557413820.db2.gz	KFEXWSQCBAHTDD-UHFFFAOYSA-N	1	2	427.530	2.544	50	30		IFEALO
C=CCn1c(SCC(=O)N2CC[NH+](C)CC2)nnc1-c1cc2cccc(OC)c2o1	ZINC000019852379	557509267	/nfs/dbraw/zinc/50/92/67/557509267.db2.gz	JDYBGJPEBJWKBM-UHFFFAOYSA-N	1	2	427.530	2.752	50	30		IFEALO
C=CCc1cc(OC)cc(C[NH+]2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1O	ZINC000089420763	568924304	/nfs/dbraw/zinc/92/43/04/568924304.db2.gz	ZFQKDBYOMHKZPP-UHFFFAOYSA-N	1	2	447.513	2.544	50	30		IFEALO
C#CCOC[C@H](O)C[N@H+](Cc1ccc(F)cc1F)C[C@@H]1CC(c2ccc(OC)cc2)=NO1	ZINC000169678407	568990552	/nfs/dbraw/zinc/99/05/52/568990552.db2.gz	OZTBLHYWLHGISL-IRLDBZIGSA-N	1	2	444.478	2.979	50	30		IFEALO
C#CCOC[C@H](O)C[N@@H+](Cc1ccc(F)cc1F)C[C@@H]1CC(c2ccc(OC)cc2)=NO1	ZINC000169678407	568990554	/nfs/dbraw/zinc/99/05/54/568990554.db2.gz	OZTBLHYWLHGISL-IRLDBZIGSA-N	1	2	444.478	2.979	50	30		IFEALO
C[C@H]1CCc2c(C#N)c(NC(=O)C[N@H+](C)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)sc2C1	ZINC000253417739	569266469	/nfs/dbraw/zinc/26/64/69/569266469.db2.gz	CVMUNJCEUORLFV-JQFCIGGWSA-N	1	2	448.589	2.595	50	30		IFEALO
C[C@H]1CCc2c(C#N)c(NC(=O)C[N@@H+](C)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)sc2C1	ZINC000253417739	569266471	/nfs/dbraw/zinc/26/64/71/569266471.db2.gz	CVMUNJCEUORLFV-JQFCIGGWSA-N	1	2	448.589	2.595	50	30		IFEALO
CC[NH+]1CCN(c2nc3ccccc3nc2[C@H](C#N)S(=O)(=O)c2cccs2)CC1	ZINC000002421594	569302093	/nfs/dbraw/zinc/30/20/93/569302093.db2.gz	ZAYJZVCBMZSHAM-KRWDZBQOSA-N	1	2	427.555	2.872	50	30		IFEALO
N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccco3)CC2)cc1	ZINC000013165226	569312336	/nfs/dbraw/zinc/31/23/36/569312336.db2.gz	NQLYKOOPDNWZGA-QHCPKHFHSA-N	1	2	442.519	2.837	50	30		IFEALO
CC[NH+]1CCN(C2=C(NS(=O)(=O)c3ccc(C)cc3)C(=O)c3ccccc3C2=O)CC1	ZINC000019949536	569332328	/nfs/dbraw/zinc/33/23/28/569332328.db2.gz	FKYZCHBCEJLYPW-GFMRDNFCSA-N	1	2	439.537	2.885	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1	ZINC000020190395	569355573	/nfs/dbraw/zinc/35/55/73/569355573.db2.gz	AHSIGFCQMCWQGT-OAQYLSRUSA-N	1	2	440.471	2.832	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccc(F)c1)c1ccncc1	ZINC000008827339	569477649	/nfs/dbraw/zinc/47/76/49/569477649.db2.gz	FOBARKVGJFOORI-FQEVSTJZSA-N	1	2	425.460	2.521	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1cccnc1)c1ccc2c(c1)OCO2	ZINC000008845122	569478705	/nfs/dbraw/zinc/47/87/05/569478705.db2.gz	JITBZRJZSQUJCF-HXUWFJFHSA-N	1	2	432.436	2.675	50	30		IFEALO
C[NH+](C)c1ccc(N2C(=NC(=O)Cc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000009452834	569536505	/nfs/dbraw/zinc/53/65/05/569536505.db2.gz	AVBSOGSGJRMHHK-DQBSXFRDSA-N	1	2	429.567	2.597	50	30		IFEALO
C[NH+](C)c1ccc(N2C(=NC(=O)Cc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000009452847	569536559	/nfs/dbraw/zinc/53/65/59/569536559.db2.gz	AVBSOGSGJRMHHK-DBWZVEGISA-N	1	2	429.567	2.597	50	30		IFEALO
C#CCOC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3	ZINC000036156922	518312303	/nfs/dbraw/zinc/31/23/03/518312303.db2.gz	FGPPLKFLPZDEKZ-GOSISDBHSA-N	1	2	437.565	2.876	50	30		IFEALO
C#CCOC[C@H](O)C[N@H+](Cc1ccccc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3	ZINC000036156922	518312308	/nfs/dbraw/zinc/31/23/08/518312308.db2.gz	FGPPLKFLPZDEKZ-GOSISDBHSA-N	1	2	437.565	2.876	50	30		IFEALO
C[NH+](C)c1ccc(N2/C(=N/C(=O)CCc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000013571687	522216856	/nfs/dbraw/zinc/21/68/56/522216856.db2.gz	RJGSQMPEAPIPQW-RXUIDFICSA-N	1	2	443.594	2.987	50	30		IFEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccco2)cc1F	ZINC000013692673	523553094	/nfs/dbraw/zinc/55/30/94/523553094.db2.gz	ABJISVFJBGWDLX-FQEVSTJZSA-N	1	2	444.459	2.728	50	30		IFEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cccnc2)c(OC)c1	ZINC000013690879	523555111	/nfs/dbraw/zinc/55/51/11/523555111.db2.gz	HPJWGNQPJKTYFH-NRFANRHFSA-N	1	2	448.479	2.964	50	30		IFEALO
C[NH+]=C(Nc1ccccc1OC)S[C@@H]1CC(=O)N(c2ccc(C(=O)OC)cc2)C1=O	ZINC000095546354	523668129	/nfs/dbraw/zinc/66/81/29/523668129.db2.gz	MYOCWRMJHNNCNV-QGZVFWFLSA-N	1	2	427.482	2.754	50	30		IFEALO
N#Cc1ccc(C[NH+]2CCN(CC(=O)Nc3ccccc3C(=O)NC3CCCC3)CC2)cc1	ZINC000022804560	526614725	/nfs/dbraw/zinc/61/47/25/526614725.db2.gz	DHIIONHRGXYHAW-UHFFFAOYSA-N	1	2	445.567	2.987	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccc(Cl)c1)c1ccncc1	ZINC000102488069	526951281	/nfs/dbraw/zinc/95/12/81/526951281.db2.gz	RSQKGQQVBWQHOW-NHFXJNLRSA-N	1	2	441.915	2.879	50	30		IFEALO
O=C(COc1coc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1=O)NC[C@@H]1CCCO1	ZINC000056949837	527477437	/nfs/dbraw/zinc/47/74/37/527477437.db2.gz	ZAOASJGWJGIVOJ-IBGZPJMESA-N	1	2	445.491	2.615	50	30		IFEALO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1cccs1	ZINC000102753006	527603109	/nfs/dbraw/zinc/60/31/09/527603109.db2.gz	RBHXCBDNIKFUSQ-SELCWUDQSA-N	1	2	425.514	2.807	50	30		IFEALO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C)o2)c1	ZINC000008858602	556228016	/nfs/dbraw/zinc/22/80/16/556228016.db2.gz	GZQUMOLSNVURTA-NRFANRHFSA-N	1	2	440.496	2.897	50	30		IFEALO
N#CCCN1CC[NH+]([C@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)CC1	ZINC000019770764	556576161	/nfs/dbraw/zinc/57/61/61/556576161.db2.gz	FHDVDIWXMYFFBW-OAQYLSRUSA-N	1	2	432.977	2.891	50	30		IFEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cccnc2)cc1OC	ZINC000096514189	556580456	/nfs/dbraw/zinc/58/04/56/556580456.db2.gz	RBOJEDRNYQBFCO-NRFANRHFSA-N	1	2	448.479	2.964	50	30		IFEALO
COc1cc(OC)cc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2ccc(C)cc2C)c1	ZINC000046134006	557040919	/nfs/dbraw/zinc/04/09/19/557040919.db2.gz	YZAFMTAEBGGIPR-UHFFFAOYSA-N	1	2	440.544	2.851	50	30		IFEALO
COc1cc(OC)cc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2cccc(C)c2C)c1	ZINC000046134652	557041192	/nfs/dbraw/zinc/04/11/92/557041192.db2.gz	RMVAWICRUZHRNJ-UHFFFAOYSA-N	1	2	440.544	2.851	50	30		IFEALO
COc1ccc(NC(=NC(=O)c2cccc(C)c2)NCC[NH+]2CCOCC2)cc1OC	ZINC000046134968	557041615	/nfs/dbraw/zinc/04/16/15/557041615.db2.gz	HWJMLSZDWBXJJX-UHFFFAOYSA-N	1	2	426.517	2.542	50	30		IFEALO
CSc1nc2ccccc2n1C[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1	ZINC000023409483	557090930	/nfs/dbraw/zinc/09/09/30/557090930.db2.gz	QEPWRBROYMMALK-UHFFFAOYSA-N	1	2	427.555	2.594	50	30		IFEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccncc2)cc1OC	ZINC000096514186	557202256	/nfs/dbraw/zinc/20/22/56/557202256.db2.gz	BDRRYJYXVAFIPX-OAQYLSRUSA-N	1	2	448.479	2.964	50	30		IFEALO
C[NH+](C)c1ccc(N2/C(=N\C(=O)CCc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000101300100	557270860	/nfs/dbraw/zinc/27/08/60/557270860.db2.gz	RJGSQMPEAPIPQW-LPDJZZSPSA-N	1	2	443.594	2.987	50	30		IFEALO
Cc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccc([NH+](C)C)cc2)cc1	ZINC000101300145	557270895	/nfs/dbraw/zinc/27/08/95/557270895.db2.gz	IGPVIQBUMPLRSZ-LPDJZZSPSA-N	1	2	443.594	2.905	50	30		IFEALO
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccccc2)s1	ZINC000102494014	557335518	/nfs/dbraw/zinc/33/55/18/557335518.db2.gz	FMMYVDNKCJPEEE-LFVOPCPISA-N	1	2	441.553	2.904	50	30		IFEALO
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1cccnc1	ZINC000102526476	557353816	/nfs/dbraw/zinc/35/38/16/557353816.db2.gz	MCLZQHRSRYWXFM-PGVNHDJNSA-N	1	2	442.479	2.746	50	30		IFEALO
Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1cccnc1	ZINC000102526476	557353818	/nfs/dbraw/zinc/35/38/18/557353818.db2.gz	MCLZQHRSRYWXFM-PGVNHDJNSA-N	1	2	442.479	2.746	50	30		IFEALO
COc1ccc([C@H]2C(C(=O)c3c(C)n[nH]c3C)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1	ZINC000102742042	557376422	/nfs/dbraw/zinc/37/64/22/557376422.db2.gz	ROMHJPPMRYTBIU-NHFXJNLRSA-N	1	2	435.484	2.744	50	30		IFEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccccn2)cc1F	ZINC000102742788	557376663	/nfs/dbraw/zinc/37/66/63/557376663.db2.gz	GFINGEAUNYWPCQ-YDJIHCHBSA-N	1	2	436.443	2.938	50	30		IFEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccncc2)c(OC)c1	ZINC000102738840	557380225	/nfs/dbraw/zinc/38/02/25/557380225.db2.gz	BXVCGTUEBUZGBR-MRJHHRETSA-N	1	2	448.479	2.807	50	30		IFEALO
COc1ccccc1[C@@H]1C(C(=O)c2c(C)nn(C)c2C)=C(O)C(=O)N1CCCn1cc[nH+]c1	ZINC000102740354	557380945	/nfs/dbraw/zinc/38/09/45/557380945.db2.gz	RXRROVJSNDNJMC-JBCNATCCSA-N	1	2	449.511	2.754	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1cccnc1)c1ccc2c(c1)OCCO2	ZINC000102928482	557410792	/nfs/dbraw/zinc/41/07/92/557410792.db2.gz	AFVIDHPFQWTGFK-JBCNATCCSA-N	1	2	446.463	2.561	50	30		IFEALO
Cc1c(NC(=[NH2+])NC(=N)Nc2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C	ZINC000018153339	563022286	/nfs/dbraw/zinc/02/22/86/563022286.db2.gz	OIXVRTRFPHZUEZ-UHFFFAOYSA-N	1	2	442.321	2.620	50	30		IFEALO
C#CCOC[C@H](O)C[N@H+](Cc1ccc(F)cc1F)C[C@H]1CC(c2ccc(OC)cc2)=NO1	ZINC000104984795	568623656	/nfs/dbraw/zinc/62/36/56/568623656.db2.gz	OZTBLHYWLHGISL-IFMALSPDSA-N	1	2	444.478	2.979	50	30		IFEALO
C#CCOC[C@H](O)C[N@@H+](Cc1ccc(F)cc1F)C[C@H]1CC(c2ccc(OC)cc2)=NO1	ZINC000104984795	568623658	/nfs/dbraw/zinc/62/36/58/568623658.db2.gz	OZTBLHYWLHGISL-IFMALSPDSA-N	1	2	444.478	2.979	50	30		IFEALO
O=C(C#Cc1ccccc1)N1CCC[C@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1	ZINC000023358748	568859648	/nfs/dbraw/zinc/85/96/48/568859648.db2.gz	ZLDKZAUTOZVJNK-QHCPKHFHSA-N	1	2	431.536	2.576	50	30		IFEALO
C#CC[C@@]1(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CCCN1C(=O)OC(C)(C)C	ZINC000390832956	568909610	/nfs/dbraw/zinc/90/96/10/568909610.db2.gz	DQIARHMJGLOLSF-OFVILXPXSA-N	1	2	441.572	2.969	50	30		IFEALO
CC[NH+]1CCN(C2=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc3C2=O)CC1	ZINC000019995712	569332246	/nfs/dbraw/zinc/33/22/46/569332246.db2.gz	MJQQDTMOOIKCNW-NMWGTECJSA-N	1	2	425.510	2.577	50	30		IFEALO
CCN(CC)C(=O)C[NH+]1CCN(c2nc(SC)c(C#N)c3c2COC(C)(C)C3)CC1	ZINC000095478190	569373502	/nfs/dbraw/zinc/37/35/02/569373502.db2.gz	OFYCRKGKEAZPMQ-UHFFFAOYSA-N	1	2	431.606	2.517	50	30		IFEALO
CC[NH+]1CCN(c2nc3ccccc3nc2[C@@H](C#N)S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000008871164	569480703	/nfs/dbraw/zinc/48/07/03/569480703.db2.gz	QULNJCVSEDSANK-HXUWFJFHSA-N	1	2	439.516	2.949	50	30		IFEALO
COc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1	ZINC000008905467	569484622	/nfs/dbraw/zinc/48/46/22/569484622.db2.gz	LGMCOUIHMJXMTR-NHFXJNLRSA-N	1	2	442.537	2.901	50	30		IFEALO
COc1ccc(C(=O)/N=C2\S[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc([NH+](C)C)cc2)cc1	ZINC000008990930	569495279	/nfs/dbraw/zinc/49/52/79/569495279.db2.gz	ZLVRNZYYAMVVHS-DQBSXFRDSA-N	1	2	445.566	2.676	50	30		IFEALO
C[NH+](C)c1ccc(N2C(=NC(=O)Cc3ccc(F)cc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000009580932	569548865	/nfs/dbraw/zinc/54/88/65/569548865.db2.gz	BNUGARDWMKBROQ-NCUQJHPUSA-N	1	2	447.557	2.736	50	30		IFEALO
Cc1nc(N2CC[NH+](CC(=O)N(C)c3ccccc3)CC2)c(C#N)c2c1COC(C)(C)C2	ZINC000009306080	132313119	/nfs/dbraw/zinc/31/31/19/132313119.db2.gz	SCLMUZWFCHNMEM-UHFFFAOYSA-N	1	2	433.556	2.898	50	30		IFEALO
C#CCOC[C@@H](O)C[N@H+](Cc1ccc(F)cc1F)C[C@@H]1CC(c2ccc(OC)cc2)=NO1	ZINC000036147052	518302949	/nfs/dbraw/zinc/30/29/49/518302949.db2.gz	OZTBLHYWLHGISL-UNMCSNQZSA-N	1	2	444.478	2.979	50	30		IFEALO
C#CCOC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1F)C[C@@H]1CC(c2ccc(OC)cc2)=NO1	ZINC000036147052	518302958	/nfs/dbraw/zinc/30/29/58/518302958.db2.gz	OZTBLHYWLHGISL-UNMCSNQZSA-N	1	2	444.478	2.979	50	30		IFEALO
C#CCOC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3	ZINC000036156925	518305572	/nfs/dbraw/zinc/30/55/72/518305572.db2.gz	FGPPLKFLPZDEKZ-SFHVURJKSA-N	1	2	437.565	2.876	50	30		IFEALO
C#CCOC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3	ZINC000036156925	518305579	/nfs/dbraw/zinc/30/55/79/518305579.db2.gz	FGPPLKFLPZDEKZ-SFHVURJKSA-N	1	2	437.565	2.876	50	30		IFEALO
CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccco2)c1	ZINC000008951524	521317118	/nfs/dbraw/zinc/31/71/18/521317118.db2.gz	RROGGRTVFBLYJR-OAQYLSRUSA-N	1	2	440.496	2.979	50	30		IFEALO
COc1cc(/C=C2\Oc3c(ccc(O)c3CN3CC[NH+](C)CC3)C2=O)cc(OC)c1OC	ZINC000020624440	521968043	/nfs/dbraw/zinc/96/80/43/521968043.db2.gz	XANKOWIKDOOSNF-ODLFYWEKSA-N	1	2	440.496	2.782	50	30		IFEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccco2)cc1F	ZINC000013692672	523553728	/nfs/dbraw/zinc/55/37/28/523553728.db2.gz	ABJISVFJBGWDLX-HXUWFJFHSA-N	1	2	444.459	2.728	50	30		IFEALO
Cc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccc([NH+](C)C)cc2)cc1	ZINC000013556942	524243330	/nfs/dbraw/zinc/24/33/30/524243330.db2.gz	IGPVIQBUMPLRSZ-RXUIDFICSA-N	1	2	443.594	2.905	50	30		IFEALO
Cc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc([NH+](C)C)cc2)cc1	ZINC000013556944	524243603	/nfs/dbraw/zinc/24/36/03/524243603.db2.gz	IGPVIQBUMPLRSZ-JGNZBCPXSA-N	1	2	443.594	2.905	50	30		IFEALO
COc1ccc([C@@H]2C(C(=O)c3c(C)n[nH]c3C)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1	ZINC000013692053	525218705	/nfs/dbraw/zinc/21/87/05/525218705.db2.gz	XMYFJYLTNMUJFW-HXUWFJFHSA-N	1	2	435.484	2.900	50	30		IFEALO
COc1ccc([C@@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1	ZINC000013730351	525219572	/nfs/dbraw/zinc/21/95/72/525219572.db2.gz	UTVDAURYNFCNTC-OAQYLSRUSA-N	1	2	449.511	2.911	50	30		IFEALO
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1	ZINC000013120462	525224976	/nfs/dbraw/zinc/22/49/76/525224976.db2.gz	FWPZQDZTLOPSID-JOCHJYFZSA-N	1	2	436.508	2.996	50	30		IFEALO
O=C(CNC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1nnc(Cc2ccccc2)s1	ZINC000049545622	527467703	/nfs/dbraw/zinc/46/77/03/527467703.db2.gz	NGKSTYYEAZLUFC-UHFFFAOYSA-N	1	2	437.529	2.644	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccnc1)c1ccc(F)cc1	ZINC000019884297	556938235	/nfs/dbraw/zinc/93/82/35/556938235.db2.gz	BLZUDLHRDQQRAQ-FQEVSTJZSA-N	1	2	425.460	2.521	50	30		IFEALO
N#Cc1ccccc1NC(=O)C(=O)NC[C@H](c1cccc2ccccc21)[NH+]1CCOCC1	ZINC000023107619	557002164	/nfs/dbraw/zinc/00/21/64/557002164.db2.gz	PMZHAIQQKJNCTJ-HSZRJFAPSA-N	1	2	428.492	2.840	50	30		IFEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2OC)c(O)c1	ZINC000020309608	557007175	/nfs/dbraw/zinc/00/71/75/557007175.db2.gz	NRSISNHIAAGCQN-HXUWFJFHSA-N	1	2	426.469	2.549	50	30		IFEALO
COc1cc(OC)cc([C@@H](NS(=O)(=O)Cc2ccc(C#N)cc2)c2[nH+]ccn2C)c1	ZINC000010748992	557024027	/nfs/dbraw/zinc/02/40/27/557024027.db2.gz	BXOBUVSOGOJHRC-HXUWFJFHSA-N	1	2	426.498	2.518	50	30		IFEALO
Cc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc([NH+](C)C)cc2)cc1	ZINC000101300148	557270752	/nfs/dbraw/zinc/27/07/52/557270752.db2.gz	IGPVIQBUMPLRSZ-ANUZPMASSA-N	1	2	443.594	2.905	50	30		IFEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cccnc2)c(OC)c1	ZINC000102745023	557377625	/nfs/dbraw/zinc/37/76/25/557377625.db2.gz	MFBOUOXHIHQOCJ-MRJHHRETSA-N	1	2	448.479	2.807	50	30		IFEALO
N#Cc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)oc1NCCCn1cc[nH+]c1	ZINC000012421165	557837791	/nfs/dbraw/zinc/83/77/91/557837791.db2.gz	NTSOONDVHQDMKL-UHFFFAOYSA-N	1	2	426.502	2.696	50	30		IFEALO
CSc1nc(N2CC[NH+](CC(=O)N3CCCCC3)CC2)c2c(c1C#N)CC(C)(C)OC2	ZINC000095476683	569373032	/nfs/dbraw/zinc/37/30/32/569373032.db2.gz	XGGLCMQOZHBTDX-UHFFFAOYSA-N	1	2	443.617	2.661	50	30		IFEALO
C=CCN1C(=O)[C@H](CC(C)C)[NH2+]C12CCN(S(=O)(=O)c1cccc(Cl)c1)CC2	ZINC000096279818	569389426	/nfs/dbraw/zinc/38/94/26/569389426.db2.gz	AXNHDAUTKJAQDA-SFHVURJKSA-N	1	2	425.982	2.853	50	30		IFEALO
COCC[NH+]=C1Nc2ccccc2N[C@@]12CCCN(S(=O)(=O)c1cccc(OC)c1)C2	ZINC000097077642	569402909	/nfs/dbraw/zinc/40/29/09/569402909.db2.gz	NGJLUVFJMJNTEL-JOCHJYFZSA-N	1	2	444.557	2.801	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccnc1)c1ccc(Cl)cc1	ZINC000009008789	569496288	/nfs/dbraw/zinc/49/62/88/569496288.db2.gz	MBVXHTOJQFZPNE-NHFXJNLRSA-N	1	2	441.915	2.879	50	30		IFEALO
C[NH+](C)CCN(C(=O)c1ccc(C#N)cc1)c1nc2ccc(S(C)(=O)=O)cc2s1	ZINC000010337347	569581283	/nfs/dbraw/zinc/58/12/83/569581283.db2.gz	XVOAVSVJYSSCHL-UHFFFAOYSA-N	1	2	428.539	2.780	50	30		IFEALO
CC(C)Cc1nc(N2CC[NH+](CC(=O)N3CCCC3)CC2)c(C#N)c2c1COC(C)(C)C2	ZINC000013608453	132351597	/nfs/dbraw/zinc/35/15/97/132351597.db2.gz	SDZCRPUVJBLLPE-UHFFFAOYSA-N	1	2	439.604	2.747	50	30		IFEALO
CCc1nnc(NC(=O)c2cn(CC)c3cc(N4CC[NH+](C)CC4)c(F)cc3c2=O)s1	ZINC000020841000	522721218	/nfs/dbraw/zinc/72/12/18/522721218.db2.gz	WMWJWFSTLGHDSA-UHFFFAOYSA-N	1	2	444.536	2.963	50	30		IFEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cccnc2)c(OC)c1	ZINC000013690878	523556488	/nfs/dbraw/zinc/55/64/88/523556488.db2.gz	HPJWGNQPJKTYFH-OAQYLSRUSA-N	1	2	448.479	2.964	50	30		IFEALO
COc1cccc([C@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1	ZINC000013688577	524171669	/nfs/dbraw/zinc/17/16/69/524171669.db2.gz	JBTHSXUJAFFEFE-NRFANRHFSA-N	1	2	449.511	2.911	50	30		IFEALO
Cc1cccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc([NH+](C)C)cc2)c1	ZINC000013176286	524335558	/nfs/dbraw/zinc/33/55/58/524335558.db2.gz	SRXUFPVRMLGELQ-VMDIXPSDSA-N	1	2	443.594	2.905	50	30		IFEALO
Cc1cccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccc([NH+](C)C)cc2)c1	ZINC000013556381	524336153	/nfs/dbraw/zinc/33/61/53/524336153.db2.gz	SRXUFPVRMLGELQ-RXUIDFICSA-N	1	2	443.594	2.905	50	30		IFEALO
CCN(CC)C(=O)C[NH+]1CCN(c2nc(C(C)C)c3c(c2C#N)CC(C)(C)OC3)CC1	ZINC000006760283	535433423	/nfs/dbraw/zinc/43/34/23/535433423.db2.gz	WBWMJICBDLKXQN-UHFFFAOYSA-N	1	2	427.593	2.918	50	30		IFEALO
C=CC[NH+]1CCN(C(=O)c2csc(CN3CCN(c4ccc(F)cc4)CC3)n2)CC1	ZINC000034682451	555816400	/nfs/dbraw/zinc/81/64/00/555816400.db2.gz	FPGWOIWLMNOMDL-UHFFFAOYSA-N	1	2	429.565	2.548	50	30		IFEALO
CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1	ZINC000008779535	556214593	/nfs/dbraw/zinc/21/45/93/556214593.db2.gz	RGTLMABTBDAONM-NRFANRHFSA-N	1	2	440.496	2.979	50	30		IFEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccccc2)cc1	ZINC000009370471	556286177	/nfs/dbraw/zinc/28/61/77/556286177.db2.gz	OLOWPCQQIOWHFM-QFIPXVFZSA-N	1	2	436.508	2.996	50	30		IFEALO
N#CCCN1CC[NH+]([C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)CC1	ZINC000019770765	556576105	/nfs/dbraw/zinc/57/61/05/556576105.db2.gz	FHDVDIWXMYFFBW-NRFANRHFSA-N	1	2	432.977	2.891	50	30		IFEALO
C=CCn1c(CCCc2ccccc2)nnc1N1CCN(c2[nH+]cnc3c2cnn3C)CC1	ZINC000239667356	556682091	/nfs/dbraw/zinc/68/20/91/556682091.db2.gz	BPSOBRXXTDWPLT-UHFFFAOYSA-N	1	2	443.559	2.643	50	30		IFEALO
COc1ccc([C@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1	ZINC000013730348	556720566	/nfs/dbraw/zinc/72/05/66/556720566.db2.gz	UTVDAURYNFCNTC-NRFANRHFSA-N	1	2	449.511	2.911	50	30		IFEALO
COc1ccccc1[C@@H]1C(C(=O)c2c(C)nn(C)c2C)=C(O)C(=O)N1CCCn1cc[nH+]c1	ZINC000013733686	556722443	/nfs/dbraw/zinc/72/24/43/556722443.db2.gz	KLMNZGSQTSXNCK-OAQYLSRUSA-N	1	2	449.511	2.911	50	30		IFEALO
COc1ccc(OC)c(C[NH+]2CCN(C(=O)C3CCN(c4ccc(C#N)cn4)CC3)CC2)c1	ZINC000023150130	557027724	/nfs/dbraw/zinc/02/77/24/557027724.db2.gz	SWJJUCQQULHUPK-UHFFFAOYSA-N	1	2	449.555	2.531	50	30		IFEALO
CC(=O)Nc1cccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2ccc(C)c(C)c2)c1	ZINC000046133842	557040507	/nfs/dbraw/zinc/04/05/07/557040507.db2.gz	FDMZQHIXJVLSRI-UHFFFAOYSA-N	1	2	437.544	2.792	50	30		IFEALO
CC(=O)Nc1cccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2cc(C)cc(C)c2)c1	ZINC000046134588	557041222	/nfs/dbraw/zinc/04/12/22/557041222.db2.gz	SUPOFLBTWGENTF-UHFFFAOYSA-N	1	2	437.544	2.792	50	30		IFEALO
C[NH+](C)c1ccc(N2C(=NC(=O)Cc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000101299875	557270865	/nfs/dbraw/zinc/27/08/65/557270865.db2.gz	AVBSOGSGJRMHHK-QSDHIIRHSA-N	1	2	429.567	2.597	50	30		IFEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccccc2)cc1	ZINC000102438563	557322909	/nfs/dbraw/zinc/32/29/09/557322909.db2.gz	BOKRSOQLMLCJBU-MOBKVPTQSA-N	1	2	436.508	2.839	50	30		IFEALO
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccncc1	ZINC000102495399	557335627	/nfs/dbraw/zinc/33/56/27/557335627.db2.gz	ADZDURRKDMPRIO-OBVHCKHUSA-N	1	2	442.479	2.746	50	30		IFEALO
Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccncc1	ZINC000102495399	557335632	/nfs/dbraw/zinc/33/56/32/557335632.db2.gz	ADZDURRKDMPRIO-OBVHCKHUSA-N	1	2	442.479	2.746	50	30		IFEALO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C)o2)c1	ZINC000102518553	557351105	/nfs/dbraw/zinc/35/11/05/557351105.db2.gz	RPFVTAGCUVIVBU-MRJHHRETSA-N	1	2	440.496	2.741	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccncc1)c1ccc(Cl)cc1	ZINC000102527815	557354057	/nfs/dbraw/zinc/35/40/57/557354057.db2.gz	KHFACHTVVJFUEG-NHFXJNLRSA-N	1	2	441.915	2.879	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc(O)cc1)c1ccc(F)cc1	ZINC000102600190	557357854	/nfs/dbraw/zinc/35/78/54/557357854.db2.gz	UYQBRZKVAVGRDQ-MRJHHRETSA-N	1	2	440.471	2.675	50	30		IFEALO
COc1ccccc1[C@H]1C(C(=O)c2c(C)n[nH]c2C)=C(O)C(=O)N1CCCn1cc[nH+]c1	ZINC000102737414	557379522	/nfs/dbraw/zinc/37/95/22/557379522.db2.gz	BGUUKCBCIJRSSC-NHFXJNLRSA-N	1	2	435.484	2.744	50	30		IFEALO
C=CC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)C[C@H](O)COC(=O)CCC	ZINC000104989610	568623919	/nfs/dbraw/zinc/62/39/19/568623919.db2.gz	OXCITOQSJULHPL-GJZGRUSLSA-N	1	2	433.574	2.802	50	30		IFEALO
C=CC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)C[C@H](O)COC(=O)CCC	ZINC000104989610	568623921	/nfs/dbraw/zinc/62/39/21/568623921.db2.gz	OXCITOQSJULHPL-GJZGRUSLSA-N	1	2	433.574	2.802	50	30		IFEALO
COc1ccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2cc(C)ccc2C)cc1OC	ZINC000015828189	568841280	/nfs/dbraw/zinc/84/12/80/568841280.db2.gz	VMVNUINIZUTEHE-UHFFFAOYSA-N	1	2	440.544	2.851	50	30		IFEALO
C=CCNC(=O)CN1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)CC1	ZINC000027559658	569272589	/nfs/dbraw/zinc/27/25/89/569272589.db2.gz	ONSKJFDICLUECG-UHFFFAOYSA-N	1	2	445.567	2.968	50	30		IFEALO
COc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1	ZINC000020057764	569332886	/nfs/dbraw/zinc/33/28/86/569332886.db2.gz	BGGWDOKFISSYPI-FQEVSTJZSA-N	1	2	426.469	2.589	50	30		IFEALO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2O)[C@H]1c1cccnc1	ZINC000020310097	569360025	/nfs/dbraw/zinc/36/00/25/569360025.db2.gz	HNEHCBCHOZJXAT-QGZVFWFLSA-N	1	2	446.301	2.690	50	30		IFEALO
C[NH+](C)c1ccc(N2C(=NC(=O)Cc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000009452841	569536561	/nfs/dbraw/zinc/53/65/61/569536561.db2.gz	AVBSOGSGJRMHHK-ZSBAHVMLSA-N	1	2	429.567	2.597	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccccn1)c1ccc2c(c1)OCCO2	ZINC000009461412	569537086	/nfs/dbraw/zinc/53/70/86/569537086.db2.gz	NTGSPIANPCAKRC-NRFANRHFSA-N	1	2	446.463	2.718	50	30		IFEALO
C[NH+](C)c1ccc(N2C(=NC(=O)Cc3ccc(F)cc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000009580929	569548854	/nfs/dbraw/zinc/54/88/54/569548854.db2.gz	BNUGARDWMKBROQ-MMCXBBQTSA-N	1	2	447.557	2.736	50	30		IFEALO
CCCc1nc(N2CC[NH+](CC(=O)NCCc3ccccc3)CC2)c(C#N)c2c1CCC2	ZINC000006764307	132278668	/nfs/dbraw/zinc/27/86/68/132278668.db2.gz	NPUYXHFCNPFVIB-UHFFFAOYSA-N	1	2	431.584	2.875	50	30		IFEALO
C[NH+](C)c1ccc(N2/C(=N/C(=O)CCc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000013571690	522217499	/nfs/dbraw/zinc/21/74/99/522217499.db2.gz	RJGSQMPEAPIPQW-JGNZBCPXSA-N	1	2	443.594	2.987	50	30		IFEALO
CCn1cc(C(=O)Nc2nnc(C)s2)c(=O)c2cc(F)c(N3CC[NH+](C)CC3)cc21	ZINC000020840551	523302674	/nfs/dbraw/zinc/30/26/74/523302674.db2.gz	IMMJBOBYZWHJOU-UHFFFAOYSA-N	1	2	430.509	2.709	50	30		IFEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccco2)cc1F	ZINC000102752637	523373240	/nfs/dbraw/zinc/37/32/40/523373240.db2.gz	NNNIXMKVNLVDFB-YDJIHCHBSA-N	1	2	444.459	2.571	50	30		IFEALO
COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1	ZINC000008996881	524106249	/nfs/dbraw/zinc/10/62/49/524106249.db2.gz	ORBHBZJOGFSICS-HOGKFDNTSA-N	1	2	436.508	2.839	50	30		IFEALO
Cc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc([NH+](C)C)cc2)cc1	ZINC000013556940	524243396	/nfs/dbraw/zinc/24/33/96/524243396.db2.gz	IGPVIQBUMPLRSZ-VMDIXPSDSA-N	1	2	443.594	2.905	50	30		IFEALO
COc1ccccc1[C@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1CCC[NH+]1CCOCC1	ZINC000102500504	524803853	/nfs/dbraw/zinc/80/38/53/524803853.db2.gz	NWQDKDZAAUMLCQ-NHFXJNLRSA-N	1	2	442.537	2.901	50	30		IFEALO
N#Cc1c(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)sc2c1CCCCC2	ZINC000023821807	526528528	/nfs/dbraw/zinc/52/85/28/526528528.db2.gz	QCQACLCQSITINL-GOSISDBHSA-N	1	2	430.574	2.540	50	30		IFEALO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccccc1F	ZINC000102736174	527603080	/nfs/dbraw/zinc/60/30/80/527603080.db2.gz	VLQFXBGQAHESDZ-YDJIHCHBSA-N	1	2	437.475	2.885	50	30		IFEALO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1cccs1	ZINC000012322832	527605710	/nfs/dbraw/zinc/60/57/10/527605710.db2.gz	GRCWMAMCKVXXFM-GOSISDBHSA-N	1	2	425.514	2.964	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccncc1)c1ccc2c(c1)OCCO2	ZINC000095483299	527671905	/nfs/dbraw/zinc/67/19/05/527671905.db2.gz	IPEIATNXIVNDBJ-NRFANRHFSA-N	1	2	446.463	2.718	50	30		IFEALO
CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1	ZINC000008739619	556205937	/nfs/dbraw/zinc/20/59/37/556205937.db2.gz	GPABCHINUIKWBU-JBCNATCCSA-N	1	2	440.496	2.822	50	30		IFEALO
COc1ccc2[nH]c3c(ncn(/N=C/c4ccc(OC)c(C[NH+]5CCOCC5)c4)c3=O)c2c1	ZINC000019706613	556864899	/nfs/dbraw/zinc/86/48/99/556864899.db2.gz	VIUXOXMZWFYSID-LGJNPRDNSA-N	1	2	447.495	2.609	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccnc1)c1ccc(F)cc1	ZINC000019884295	556938218	/nfs/dbraw/zinc/93/82/18/556938218.db2.gz	BLZUDLHRDQQRAQ-HXUWFJFHSA-N	1	2	425.460	2.521	50	30		IFEALO
CCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1	ZINC000019999643	556957447	/nfs/dbraw/zinc/95/74/47/556957447.db2.gz	PYFDCTLTTOMWQG-NRFANRHFSA-N	1	2	440.496	2.979	50	30		IFEALO
CC(=O)Nc1cc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2ccc(C)cc2)ccc1C	ZINC000046134130	557040806	/nfs/dbraw/zinc/04/08/06/557040806.db2.gz	MHQVSGMMXHRBEK-UHFFFAOYSA-N	1	2	437.544	2.792	50	30		IFEALO
COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1	ZINC000018198719	557250431	/nfs/dbraw/zinc/25/04/31/557250431.db2.gz	ZWOBWEIOFRSXBY-QFIPXVFZSA-N	1	2	436.508	2.996	50	30		IFEALO
CN(C)c1ccc(C=[NH+]NC(=N)S[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1	ZINC000100445222	557261421	/nfs/dbraw/zinc/26/14/21/557261421.db2.gz	YDAGEUJEFNCELU-ORWNMUSCSA-N	1	2	440.485	2.584	50	30		IFEALO
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccnc1	ZINC000102498442	557336691	/nfs/dbraw/zinc/33/66/91/557336691.db2.gz	LTGUQXADUPIXLI-MOBKVPTQSA-N	1	2	447.491	2.972	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccco1)c1ccc2c(c1)OCCO2	ZINC000102649957	557361371	/nfs/dbraw/zinc/36/13/71/557361371.db2.gz	HITBEZUBSJIQAV-NHFXJNLRSA-N	1	2	435.436	2.759	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccncc1)c1ccc2c(c1)OCCO2	ZINC000102731109	557371484	/nfs/dbraw/zinc/37/14/84/557371484.db2.gz	XFJFGMFENVTVNF-MRJHHRETSA-N	1	2	446.463	2.561	50	30		IFEALO
CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1	ZINC000102711415	557373662	/nfs/dbraw/zinc/37/36/62/557373662.db2.gz	GPABCHINUIKWBU-MRJHHRETSA-N	1	2	440.496	2.822	50	30		IFEALO
N#Cc1ccc(C[NH+]2CCN(C(=O)CNC(=O)Cc3cccc4ccccc43)CC2)cc1	ZINC000023866017	557376389	/nfs/dbraw/zinc/37/63/89/557376389.db2.gz	YUKOPQLLVVGDSM-UHFFFAOYSA-N	1	2	426.520	2.715	50	30		IFEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cccnc2)cc1F	ZINC000102743579	557376730	/nfs/dbraw/zinc/37/67/30/557376730.db2.gz	QNIYLFJEXCUPHY-NHFXJNLRSA-N	1	2	436.443	2.938	50	30		IFEALO
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccco1	ZINC000102744706	557377464	/nfs/dbraw/zinc/37/74/64/557377464.db2.gz	BEFPGQMFFAURMZ-NHFXJNLRSA-N	1	2	444.459	2.571	50	30		IFEALO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccco2)cc1F	ZINC000102752635	557383437	/nfs/dbraw/zinc/38/34/37/557383437.db2.gz	NNNIXMKVNLVDFB-NHFXJNLRSA-N	1	2	444.459	2.571	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccccn1)c1ccc2c(c1)OCCO2	ZINC000102895950	557406402	/nfs/dbraw/zinc/40/64/02/557406402.db2.gz	XWSIHZJGBZGANT-JBCNATCCSA-N	1	2	446.463	2.561	50	30		IFEALO
Cc1cc(N2CCN(C(=O)CCc3c(C)nc4c(C#N)cnn4c3C)CC2)nc(C(C)C)[nH+]1	ZINC000025079183	568635550	/nfs/dbraw/zinc/63/55/50/568635550.db2.gz	HMPDOOXFFQHDDN-UHFFFAOYSA-N	1	2	446.559	2.721	50	30		IFEALO
COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1	ZINC000015449507	568780840	/nfs/dbraw/zinc/78/08/40/568780840.db2.gz	QPJZBDSLGVGJLB-IBGZPJMESA-N	1	2	443.544	2.851	50	30		IFEALO
COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1	ZINC000015449507	568780842	/nfs/dbraw/zinc/78/08/42/568780842.db2.gz	QPJZBDSLGVGJLB-IBGZPJMESA-N	1	2	443.544	2.851	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc(O)cc1)c1ccc(F)cc1	ZINC000020190400	569355671	/nfs/dbraw/zinc/35/56/71/569355671.db2.gz	AHSIGFCQMCWQGT-NRFANRHFSA-N	1	2	440.471	2.832	50	30		IFEALO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2O)[C@@H]1c1cccnc1	ZINC000020310094	569360099	/nfs/dbraw/zinc/36/00/99/569360099.db2.gz	HNEHCBCHOZJXAT-KRWDZBQOSA-N	1	2	446.301	2.690	50	30		IFEALO
COCC[NH+]=C1Nc2ccccc2N[C@]12CCCN(S(=O)(=O)c1ccc(OC)cc1)C2	ZINC000097077757	569403007	/nfs/dbraw/zinc/40/30/07/569403007.db2.gz	BWVJRWKDTJRUGN-QFIPXVFZSA-N	1	2	444.557	2.801	50	30		IFEALO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccccc2)c1	ZINC000008858600	569479873	/nfs/dbraw/zinc/47/98/73/569479873.db2.gz	CZWKJABVXRAZCV-QFIPXVFZSA-N	1	2	436.508	2.996	50	30		IFEALO
C[NH+](C)c1ccc(N2C(=NC(=O)Cc3ccc(F)cc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000009510544	569542769	/nfs/dbraw/zinc/54/27/69/569542769.db2.gz	BNUGARDWMKBROQ-NCCQTLTRSA-N	1	2	447.557	2.736	50	30		IFEALO
C=CCC[C@H](O)CN(CC[NH+]1CCOCC1)Cc1nc2sc(C(C)C)cc2c(=O)[nH]1	ZINC000036313091	518723748	/nfs/dbraw/zinc/72/37/48/518723748.db2.gz	DBZZCOIHBNKCIC-KRWDZBQOSA-N	1	2	434.606	2.569	50	30		IFEALO
C=CCC[C@H](O)C[N@@H+](CCN1CCOCC1)Cc1nc2sc(C(C)C)cc2c(=O)[nH]1	ZINC000036313091	518723753	/nfs/dbraw/zinc/72/37/53/518723753.db2.gz	DBZZCOIHBNKCIC-KRWDZBQOSA-N	1	2	434.606	2.569	50	30		IFEALO
C=CCC[C@H](O)C[N@H+](CCN1CCOCC1)Cc1nc2sc(C(C)C)cc2c(=O)[nH]1	ZINC000036313091	518723760	/nfs/dbraw/zinc/72/37/60/518723760.db2.gz	DBZZCOIHBNKCIC-KRWDZBQOSA-N	1	2	434.606	2.569	50	30		IFEALO
N#Cc1ccc(C[NH+]2CCN(CC(=O)Nc3cc(Cl)ccc3-n3cncn3)CC2)cc1	ZINC000022788817	526615837	/nfs/dbraw/zinc/61/58/37/526615837.db2.gz	SVZZVLIWJYBJGE-UHFFFAOYSA-N	1	2	435.919	2.549	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccccn1)c1ccc(F)cc1	ZINC000012416276	527670761	/nfs/dbraw/zinc/67/07/61/527670761.db2.gz	NYKRNBCIGVYNIF-HXUWFJFHSA-N	1	2	425.460	2.521	50	30		IFEALO
CC(=O)Nc1ccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2cc(C)ccc2C)cc1	ZINC000046134041	557040997	/nfs/dbraw/zinc/04/09/97/557040997.db2.gz	MKXMYLAPTHZXRN-UHFFFAOYSA-N	1	2	437.544	2.792	50	30		IFEALO
C[NH+](C)c1ccc(N2C(=NC(=O)Cc3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000101299871	557270709	/nfs/dbraw/zinc/27/07/09/557270709.db2.gz	AVBSOGSGJRMHHK-YTCPRFGJSA-N	1	2	429.567	2.597	50	30		IFEALO
Cc1cccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc([NH+](C)C)cc2)c1	ZINC000101300132	557270873	/nfs/dbraw/zinc/27/08/73/557270873.db2.gz	SRXUFPVRMLGELQ-SFEJASTKSA-N	1	2	443.594	2.905	50	30		IFEALO
C[NH+](C)c1ccc(N2C(=NC(=O)Cc3ccc(F)cc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000101300079	557270880	/nfs/dbraw/zinc/27/08/80/557270880.db2.gz	BNUGARDWMKBROQ-SJYAKKJOSA-N	1	2	447.557	2.736	50	30		IFEALO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccccc2)c1	ZINC000102501210	557338155	/nfs/dbraw/zinc/33/81/55/557338155.db2.gz	HOOVTMMSAFSJOT-MOBKVPTQSA-N	1	2	436.508	2.839	50	30		IFEALO
COc1ccc([C@@H]2C(C(=O)c3c(C)n[nH]c3C)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1	ZINC000102742047	557376238	/nfs/dbraw/zinc/37/62/38/557376238.db2.gz	ROMHJPPMRYTBIU-YDJIHCHBSA-N	1	2	435.484	2.744	50	30		IFEALO
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccncc1	ZINC000102742670	557376726	/nfs/dbraw/zinc/37/67/26/557376726.db2.gz	BRTURXASRHZFJG-NHFXJNLRSA-N	1	2	436.443	2.938	50	30		IFEALO
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1cccnc1	ZINC000102750299	557382553	/nfs/dbraw/zinc/38/25/53/557382553.db2.gz	QUUUPNLAWLZHHW-NHFXJNLRSA-N	1	2	436.443	2.938	50	30		IFEALO
Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccnc2)c1	ZINC000006530911	562947184	/nfs/dbraw/zinc/94/71/84/562947184.db2.gz	STUOVAWBURPGQZ-JOCHJYFZSA-N	1	2	435.524	2.999	50	30		IFEALO
C#CC[C@@]1(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CCCN1C(=O)OC(C)(C)C	ZINC000390832955	568909576	/nfs/dbraw/zinc/90/95/76/568909576.db2.gz	DQIARHMJGLOLSF-BWKNWUBXSA-N	1	2	441.572	2.969	50	30		IFEALO
C=CC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)C[C@@H](O)COC(=O)CCC	ZINC000169679036	568990375	/nfs/dbraw/zinc/99/03/75/568990375.db2.gz	OXCITOQSJULHPL-LSDHHAIUSA-N	1	2	433.574	2.802	50	30		IFEALO
C=CC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)C[C@@H](O)COC(=O)CCC	ZINC000169679036	568990376	/nfs/dbraw/zinc/99/03/76/568990376.db2.gz	OXCITOQSJULHPL-LSDHHAIUSA-N	1	2	433.574	2.802	50	30		IFEALO
C[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+](C)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)sc2C1	ZINC000253417728	569266433	/nfs/dbraw/zinc/26/64/33/569266433.db2.gz	CVMUNJCEUORLFV-COXVUDFISA-N	1	2	448.589	2.595	50	30		IFEALO
C[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+](C)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)sc2C1	ZINC000253417728	569266435	/nfs/dbraw/zinc/26/64/35/569266435.db2.gz	CVMUNJCEUORLFV-COXVUDFISA-N	1	2	448.589	2.595	50	30		IFEALO
Cc1cc[nH+]c(C)c1NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc21	ZINC000328595121	569317721	/nfs/dbraw/zinc/31/77/21/569317721.db2.gz	LKBVOQTYSGUFFS-UHFFFAOYSA-N	1	2	442.497	2.609	50	30		IFEALO
CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3O)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000020309927	569359835	/nfs/dbraw/zinc/35/98/35/569359835.db2.gz	JBKVIWNGTOHPHG-NRFANRHFSA-N	1	2	440.496	2.939	50	30		IFEALO
N#Cc1ccc(S(=O)(=O)N2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)cc1	ZINC000029188996	569428637	/nfs/dbraw/zinc/42/86/37/569428637.db2.gz	ATBMONXUDFPHSB-UHFFFAOYSA-N	1	2	443.554	2.609	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccccn1)c1ccc2c(c1)OCO2	ZINC000008845124	569478781	/nfs/dbraw/zinc/47/87/81/569478781.db2.gz	GJPCTCSOFDTHJE-HXUWFJFHSA-N	1	2	432.436	2.675	50	30		IFEALO
CC(C)(C)NC(=O)C[N@@H+]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1	ZINC000039935358	569482033	/nfs/dbraw/zinc/48/20/33/569482033.db2.gz	XGXDBGRLJNQSPU-UHFFFAOYSA-N	1	2	445.633	2.750	50	30		IFEALO
CC(C)(C)NC(=O)C[N@H+]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1	ZINC000039935358	569482034	/nfs/dbraw/zinc/48/20/34/569482034.db2.gz	XGXDBGRLJNQSPU-UHFFFAOYSA-N	1	2	445.633	2.750	50	30		IFEALO
COc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1	ZINC000008905462	569484624	/nfs/dbraw/zinc/48/46/24/569484624.db2.gz	LGMCOUIHMJXMTR-YDJIHCHBSA-N	1	2	442.537	2.901	50	30		IFEALO
Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)o1	ZINC000009186727	569510269	/nfs/dbraw/zinc/51/02/69/569510269.db2.gz	GTDSUVHGKREZPF-NHFXJNLRSA-N	1	2	428.460	2.871	50	30		IFEALO
COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1	ZINC000009274441	569518191	/nfs/dbraw/zinc/51/81/91/569518191.db2.gz	FWGVVEPHQDENLZ-NHFXJNLRSA-N	1	2	442.537	2.901	50	30		IFEALO
Cc1cccc(N2C(=O)S[C@H](SC(=[NH2+])Nc3ccc(S(N)(=O)=O)cc3)C2=O)c1	ZINC000009309436	569521606	/nfs/dbraw/zinc/52/16/06/569521606.db2.gz	PNCJJWLEHRCDSM-HNNXBMFYSA-N	1	2	436.540	2.548	50	30		IFEALO
C[NH+](C)c1ccc(N2C(=NC(=O)Cc3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000009452840	569536527	/nfs/dbraw/zinc/53/65/27/569536527.db2.gz	AVBSOGSGJRMHHK-ZPTLURPKSA-N	1	2	429.567	2.597	50	30		IFEALO
C=CCOc1ccc2nc(C)n(-c3cccc(C(=O)NCCc4c[nH+]c[nH]4)c3)c(=O)c2c1	ZINC000020724284	519051535	/nfs/dbraw/zinc/05/15/35/519051535.db2.gz	VSGHMOUJUZUGAY-UHFFFAOYSA-N	1	2	429.480	2.955	50	30		IFEALO
C=CCOc1ccc2nc(C)n(-c3cccc(C(=O)NCCc4c[nH]c[nH+]4)c3)c(=O)c2c1	ZINC000020724284	519051539	/nfs/dbraw/zinc/05/15/39/519051539.db2.gz	VSGHMOUJUZUGAY-UHFFFAOYSA-N	1	2	429.480	2.955	50	30		IFEALO
C=CCOc1ccccc1C[N@H+]1C[C@@H](n2cnnn2)C[C@H]1C(=O)NCc1ccc(C)cc1	ZINC000064166340	519070464	/nfs/dbraw/zinc/07/04/64/519070464.db2.gz	HEPJEEJPLAUNSN-VXKWHMMOSA-N	1	2	432.528	2.678	50	30		IFEALO
C=CCOc1ccccc1C[N@@H+]1C[C@@H](n2cnnn2)C[C@H]1C(=O)NCc1ccc(C)cc1	ZINC000064166340	519070467	/nfs/dbraw/zinc/07/04/67/519070467.db2.gz	HEPJEEJPLAUNSN-VXKWHMMOSA-N	1	2	432.528	2.678	50	30		IFEALO
C=CCn1c(C[NH+](Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000056918678	519180375	/nfs/dbraw/zinc/18/03/75/519180375.db2.gz	WCRIMEJQXUEERZ-UHFFFAOYSA-N	1	2	429.524	2.822	50	30		IFEALO
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccco1	ZINC000102744710	524296965	/nfs/dbraw/zinc/29/69/65/524296965.db2.gz	BEFPGQMFFAURMZ-YDJIHCHBSA-N	1	2	444.459	2.571	50	30		IFEALO
O=C(COc1coc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1=O)NC[C@H]1CCCO1	ZINC000056949838	527478555	/nfs/dbraw/zinc/47/85/55/527478555.db2.gz	ZAOASJGWJGIVOJ-LJQANCHMSA-N	1	2	445.491	2.615	50	30		IFEALO
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccco1	ZINC000013728754	556721176	/nfs/dbraw/zinc/72/11/76/556721176.db2.gz	DXHMHFNZGNANTM-FQEVSTJZSA-N	1	2	444.459	2.728	50	30		IFEALO
CC(=O)Nc1cccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2cc(C)ccc2C)c1	ZINC000046134065	557040859	/nfs/dbraw/zinc/04/08/59/557040859.db2.gz	GXFNRKUPUALSRW-UHFFFAOYSA-N	1	2	437.544	2.792	50	30		IFEALO
COc1ccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2cccc(C)c2)cc1OC	ZINC000046134151	557040873	/nfs/dbraw/zinc/04/08/73/557040873.db2.gz	NTZLDDHKIUPGTO-UHFFFAOYSA-N	1	2	426.517	2.542	50	30		IFEALO
CC(=O)Nc1cc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2cccc(C)c2)ccc1C	ZINC000046134211	557041014	/nfs/dbraw/zinc/04/10/14/557041014.db2.gz	PENYPGGOMDSNSQ-UHFFFAOYSA-N	1	2	437.544	2.792	50	30		IFEALO
COc1ccc(NC(=NC(=O)c2ccc(C)c(C)c2)NCC[NH+]2CCOCC2)cc1OC	ZINC000046134960	557041679	/nfs/dbraw/zinc/04/16/79/557041679.db2.gz	NCXZBUUULHLGMS-UHFFFAOYSA-N	1	2	440.544	2.851	50	30		IFEALO
N#Cc1ccc(NC(=S)NCC[NH+]2CCN(C(=S)Nc3ccc(C#N)cc3)CC2)cc1	ZINC000033367330	557135160	/nfs/dbraw/zinc/13/51/60/557135160.db2.gz	DYGSOWKGTJBOEX-UHFFFAOYSA-N	1	2	449.609	2.731	50	30		IFEALO
C=CC[NH+]1CCN(C(=O)c2c(OCc3c(C)noc3C)cc(=O)n3c2CCCCC3)CC1	ZINC000583648805	557241698	/nfs/dbraw/zinc/24/16/98/557241698.db2.gz	SCBBPIWUAYFGIA-UHFFFAOYSA-N	1	2	440.544	2.702	50	30		IFEALO
C[NH+](C)c1ccc(N2/C(=N\C(=O)CCc3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000101300096	557270837	/nfs/dbraw/zinc/27/08/37/557270837.db2.gz	RJGSQMPEAPIPQW-SFEJASTKSA-N	1	2	443.594	2.987	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccncc1)c1ccc2c(c1)OCCO2	ZINC000102731111	557371420	/nfs/dbraw/zinc/37/14/20/557371420.db2.gz	XFJFGMFENVTVNF-JBCNATCCSA-N	1	2	446.463	2.561	50	30		IFEALO
N#Cc1c(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)sc2c1CCCCC2	ZINC000023821804	557375967	/nfs/dbraw/zinc/37/59/67/557375967.db2.gz	QCQACLCQSITINL-SFHVURJKSA-N	1	2	430.574	2.540	50	30		IFEALO
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1cccnc1	ZINC000102750302	557382524	/nfs/dbraw/zinc/38/25/24/557382524.db2.gz	QUUUPNLAWLZHHW-YDJIHCHBSA-N	1	2	436.443	2.938	50	30		IFEALO
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccncc1	ZINC000006498883	562946955	/nfs/dbraw/zinc/94/69/55/562946955.db2.gz	ARRXHMFQZZQUKN-NRFANRHFSA-N	1	2	442.479	2.903	50	30		IFEALO
Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccncc1	ZINC000006498883	562946957	/nfs/dbraw/zinc/94/69/57/562946957.db2.gz	ARRXHMFQZZQUKN-NRFANRHFSA-N	1	2	442.479	2.903	50	30		IFEALO
COc1ccc(N2C(=O)C[C@@H](SC(=N)N[NH+]=Cc3ccc(N(C)C)cc3)C2=O)cc1	ZINC000002065894	568941503	/nfs/dbraw/zinc/94/15/03/568941503.db2.gz	NHDFFRKHODCVLU-GOSISDBHSA-N	1	2	425.514	2.685	50	30		IFEALO
COc1cc(/C=C/c2nc(C#N)c(NCCC[NH+]3CCOCC3)o2)cc(OC)c1OC	ZINC000016768473	569161431	/nfs/dbraw/zinc/16/14/31/569161431.db2.gz	HOXMOJDGZWNHBO-AATRIKPKSA-N	1	2	428.489	2.877	50	30		IFEALO
CC1(C)CC(=O)C2=C(C1)Oc1ncn(CC[NH+]3CCOCC3)c(=N)c1[C@H]2c1ccccc1	ZINC000002414157	569301273	/nfs/dbraw/zinc/30/12/73/569301273.db2.gz	HMUVWBQRHWAIOH-FQEVSTJZSA-N	1	2	434.540	2.862	50	30		IFEALO
O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccc(O)c1)c1ccc(F)cc1	ZINC000020171754	569354431	/nfs/dbraw/zinc/35/44/31/569354431.db2.gz	KQQVMJXNBLSFTE-NRFANRHFSA-N	1	2	440.471	2.832	50	30		IFEALO
CCc1ccc2oc(=O)cc(C[NH+]3CCN(CC(=O)Nc4cccc(C#N)c4)CC3)c2c1	ZINC000020213167	569356073	/nfs/dbraw/zinc/35/60/73/569356073.db2.gz	GMQSDURBZYDODA-UHFFFAOYSA-N	1	2	430.508	2.983	50	30		IFEALO
C=CCc1ccc(OC[C@H](O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(OC)c1	ZINC000020347390	569361060	/nfs/dbraw/zinc/36/10/60/569361060.db2.gz	GQWDQVHRPTVHKR-OAQYLSRUSA-N	1	2	440.540	2.710	50	30		IFEALO
CC[NH+]1CCN(c2nc3ccccc3nc2[C@H](C#N)S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000008871165	569480739	/nfs/dbraw/zinc/48/07/39/569480739.db2.gz	QULNJCVSEDSANK-FQEVSTJZSA-N	1	2	439.516	2.949	50	30		IFEALO
COc1ccc(C(=O)/N=C2\S[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccc([NH+](C)C)cc2)cc1	ZINC000008990931	569495288	/nfs/dbraw/zinc/49/52/88/569495288.db2.gz	ZLVRNZYYAMVVHS-ZSBAHVMLSA-N	1	2	445.566	2.676	50	30		IFEALO