smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+](CCCc1ccccc1)CCC(O)(P(=O)([O-])O)P(=O)([O-])O	ZINC000001551162	204012778	/nfs/dbraw/zinc/01/27/78/204012778.db2.gz	CCUVTLJATBXQHJ-UHFFFAOYSA-N	-1	2	367.275	0.943	10	0		FCAELM
C[N@@H+](CCCc1ccccc1)CCC(O)(P(=O)([O-])O)P(=O)([O-])O	ZINC000001551162	204012780	/nfs/dbraw/zinc/01/27/80/204012780.db2.gz	CCUVTLJATBXQHJ-UHFFFAOYSA-N	-1	2	367.275	0.943	10	0		FCAELM
C[NH+](CCCc1ccccc1)CCC(O)(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000001551162	204012784	/nfs/dbraw/zinc/01/27/84/204012784.db2.gz	CCUVTLJATBXQHJ-UHFFFAOYSA-N	-1	2	367.275	0.943	10	0		FCAELM
C[NH+](CCCc1ccccc1)CCC(O)(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000001551162	204012787	/nfs/dbraw/zinc/01/27/87/204012787.db2.gz	CCUVTLJATBXQHJ-UHFFFAOYSA-N	-1	2	367.275	0.943	10	0		FCAELM
COc1cc(NS(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)nn1C	ZINC000548149976	490430159	/nfs/dbraw/zinc/43/01/59/490430159.db2.gz	GHSPTZRPVAAMLD-UHFFFAOYSA-N	-1	2	359.335	0.832	10	0		FCAELM
C[N@@H+]1CCO[C@@H](CS(=O)(=O)NC[C@@]2(C)COc3ccccc3O2)C1	ZINC000632589782	493038275	/nfs/dbraw/zinc/03/82/75/493038275.db2.gz	XUYFFEBPDKCJLK-CJNGLKHVSA-N	-1	2	356.444	0.467	10	0		FCAELM
C[C@H](NC(=O)N=c1ncn(CC(=O)N(C)C)[nH]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000653539943	493157057	/nfs/dbraw/zinc/15/70/57/493157057.db2.gz	RBAGLCNEJXDOQK-GARJFASQSA-N	-1	2	366.422	0.045	10	0		FCAELM
COc1ccc2c(c1)[nH]cc(C(=O)N1C[C@@H]3COC[C@]3(C(=O)[O-])C1)c2=O	ZINC000659779470	493289376	/nfs/dbraw/zinc/28/93/76/493289376.db2.gz	NEYIROVHBYFRCJ-MLCYQJTMSA-N	-1	2	358.350	0.710	10	0		FCAELM
CCn1c(=O)c2ccc(C(=O)N3CC[C@@H](c4nn[nH]n4)C3)cc2[n-]c1=S	ZINC001643387820	1290883932	/nfs/dbraw/zinc/88/39/32/1290883932.db2.gz	VZKHOMOFBRRDCM-SNVBAGLBSA-N	-1	2	371.426	0.848	10	0		FCAELM
Cn1cc([C@H](CO)NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)cn1	ZINC000443021269	248303550	/nfs/dbraw/zinc/30/35/50/248303550.db2.gz	DFSBWBZKBICERE-HNNXBMFYSA-N	-1	2	361.427	0.677	10	0		FCAELM
COC(=O)c1c(C)oc(C)c1S(=O)(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000589225183	491757732	/nfs/dbraw/zinc/75/77/32/491757732.db2.gz	MIJGUFXQDITYCL-BXKDBHETSA-N	-1	2	360.432	0.680	10	0		FCAELM
C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1)C(=O)[O-]	ZINC000656002795	492511410	/nfs/dbraw/zinc/51/14/10/492511410.db2.gz	JZLPFVPFVGWQFE-WCQYABFASA-N	-1	2	371.397	0.972	10	0		FCAELM
C[C@H](CNC(=O)C(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1)C(=O)[O-]	ZINC000656002796	492511852	/nfs/dbraw/zinc/51/18/52/492511852.db2.gz	JZLPFVPFVGWQFE-YPMHNXCESA-N	-1	2	371.397	0.972	10	0		FCAELM
O=C([O-])[C@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3cnoc3)cc2)C1	ZINC000623946452	492608273	/nfs/dbraw/zinc/60/82/73/492608273.db2.gz	HGYUWBUYYLDSBA-VIFPVBQESA-N	-1	2	351.340	0.913	10	0		FCAELM
CC[C@H](NC(=O)CCc1nn[nH]n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000631806032	492855930	/nfs/dbraw/zinc/85/59/30/492855930.db2.gz	ZNDMWDHCTOXLDT-JKSUJKDBSA-N	-1	2	358.446	0.928	10	0		FCAELM
Cc1c(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])coc1C(=O)N(C)C	ZINC000647129532	493169767	/nfs/dbraw/zinc/16/97/67/493169767.db2.gz	FOQCDZMHHGSFTG-UHFFFAOYSA-N	-1	2	356.360	0.522	10	0		FCAELM
O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cnns1	ZINC000851704178	671462084	/nfs/dbraw/zinc/46/20/84/671462084.db2.gz	TVZGCKMSSWJXEM-IYSWYEEDSA-N	-1	2	352.294	0.274	10	0		FCAELM
O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cnns1	ZINC000851704177	671462193	/nfs/dbraw/zinc/46/21/93/671462193.db2.gz	TVZGCKMSSWJXEM-FSPLSTOPSA-N	-1	2	352.294	0.274	10	0		FCAELM
COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(CNC(=O)C(F)(F)F)o1	ZINC000860546153	671896128	/nfs/dbraw/zinc/89/61/28/671896128.db2.gz	IZJDHUWMCNYIGZ-ZETCQYMHSA-N	-1	2	372.321	0.553	10	0		FCAELM
CC(C)(NC(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1	ZINC000861139280	671938704	/nfs/dbraw/zinc/93/87/04/671938704.db2.gz	RHVHDWJNMSNSHS-SSDOTTSWSA-N	-1	2	360.354	0.457	10	0		FCAELM
CS(=O)(=O)Cc1nnc(CNC(=O)c2s[n-]c(=O)c2Cl)[nH]1	ZINC001558550309	1269108875	/nfs/dbraw/zinc/10/88/75/1269108875.db2.gz	AXEAPBCFUPOBQA-UHFFFAOYSA-N	-1	2	351.797	0.095	10	0		FCAELM
CCOC(=O)c1n[nH]nc1[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](CC)CCO1	ZINC001637909425	1282640427	/nfs/dbraw/zinc/64/04/27/1282640427.db2.gz	GMJLLSATTNRQHV-NWDGAFQWSA-N	-1	2	351.407	0.366	10	0		FCAELM
Cc1c(O)ccc2c(C[N@@H+]3CC[C@@H](NS(C)(=O)=O)C3)cc(=O)oc12	ZINC000116891833	208335965	/nfs/dbraw/zinc/33/59/65/208335965.db2.gz	ZOFUYPHQLRCEGL-GFCCVEGCSA-N	-1	2	352.412	0.931	10	0		FCAELM
C[C@@H]1CCN(C(=O)C(=O)N=c2nc(C(C)(C)C)[nH]s2)C[C@@H]1C(=O)[O-]	ZINC000563132882	491218476	/nfs/dbraw/zinc/21/84/76/491218476.db2.gz	BCRGBKWNEGOABO-BDAKNGLRSA-N	-1	2	354.432	0.765	10	0		FCAELM
C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(NS(C)(=O)=O)cc3)C[C@@H]21	ZINC000408021473	490210991	/nfs/dbraw/zinc/21/09/91/490210991.db2.gz	IDWAGXAROCVGTG-LSDHHAIUSA-N	-1	2	353.444	0.603	10	0		FCAELM
COc1cc(NS(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)nn1C	ZINC000548149824	490430341	/nfs/dbraw/zinc/43/03/41/490430341.db2.gz	YCFWKDSGHYATKN-UHFFFAOYSA-N	-1	2	369.355	0.699	10	0		FCAELM
O=C([O-])CNC(=O)c1ccc(NS(=O)(=O)c2cnc3n2CCC3)cc1	ZINC000484562119	490441761	/nfs/dbraw/zinc/44/17/61/490441761.db2.gz	GPAXDRZLWJKMAL-UHFFFAOYSA-N	-1	2	364.383	0.445	10	0		FCAELM
Cc1ncc(NS(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)cn1	ZINC000485044206	490496482	/nfs/dbraw/zinc/49/64/82/490496482.db2.gz	UKQHOKSPVAIKOY-UHFFFAOYSA-N	-1	2	350.356	0.400	10	0		FCAELM
CC[C@@H](C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[nH]1)[N@@H+]1CCO[C@H](CC)C1	ZINC000582909207	491831791	/nfs/dbraw/zinc/83/17/91/491831791.db2.gz	IMWIOTIHDRTQRK-HZSPNIEDSA-N	-1	2	350.467	0.781	10	0		FCAELM
C[N@@H+]1CCO[C@H](CS(=O)(=O)NC[C@H](n2cccn2)C(F)(F)F)C1	ZINC000632589725	493038035	/nfs/dbraw/zinc/03/80/35/493038035.db2.gz	WLZFLXVTMWVZLJ-QWRGUYRKSA-N	-1	2	356.370	0.237	10	0		FCAELM
C[N@@H+]1CCO[C@@H](CS(=O)(=O)NC[C@H](n2cccn2)C(F)(F)F)C1	ZINC000632589724	493038218	/nfs/dbraw/zinc/03/82/18/493038218.db2.gz	WLZFLXVTMWVZLJ-MNOVXSKESA-N	-1	2	356.370	0.237	10	0		FCAELM
O=C(NCCCc1n[nH]c(=O)[n-]1)c1ccc(CNC(=O)C(F)(F)F)o1	ZINC000863893307	672160703	/nfs/dbraw/zinc/16/07/03/672160703.db2.gz	NFOYNUIPUFDBRY-UHFFFAOYSA-N	-1	2	361.280	0.644	10	0		FCAELM
O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000842759279	1222852736	/nfs/dbraw/zinc/85/27/36/1222852736.db2.gz	UEUDWMHLKZDESQ-CYBMUJFWSA-N	-1	2	369.381	0.664	10	0		FCAELM
O=C(CCc1cnn[nH]1)Nc1cc(S(=O)(=O)NC2CC2)ccc1O	ZINC001632596172	1282189249	/nfs/dbraw/zinc/18/92/49/1282189249.db2.gz	WBSCKEJJTITKST-UHFFFAOYSA-N	-1	2	351.388	0.522	10	0		FCAELM
C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1)c1ccccc1	ZINC000289503030	489071805	/nfs/dbraw/zinc/07/18/05/489071805.db2.gz	UJCYQHGVGPLDMT-JKSUJKDBSA-N	-1	2	372.473	0.697	10	0		FCAELM
C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(NS(C)(=O)=O)cc3)C[C@@H]21	ZINC000408021471	490210814	/nfs/dbraw/zinc/21/08/14/490210814.db2.gz	IDWAGXAROCVGTG-GJZGRUSLSA-N	-1	2	353.444	0.603	10	0		FCAELM
Cc1ccc(S(=O)(=O)Nc2cnn(CCO)c2)c(C)c1OCC(=O)[O-]	ZINC000586811966	491733067	/nfs/dbraw/zinc/73/30/67/491733067.db2.gz	BGJHXICXTRNZHW-UHFFFAOYSA-N	-1	2	369.399	0.756	10	0		FCAELM
C[N@@H+]1CCO[C@H](CS(=O)(=O)NC[C@@]2(C)COc3ccccc3O2)C1	ZINC000632589781	493038299	/nfs/dbraw/zinc/03/82/99/493038299.db2.gz	XUYFFEBPDKCJLK-BBRMVZONSA-N	-1	2	356.444	0.467	10	0		FCAELM
COc1cccc(-c2nc(=NC(=O)c3cnc([O-])n(C)c3=O)s[nH]2)c1	ZINC000435140927	489983811	/nfs/dbraw/zinc/98/38/11/489983811.db2.gz	LFZLBBZWYHASGZ-UHFFFAOYSA-N	-1	2	359.367	0.687	10	0		FCAELM
O=C(CC[C@@H]1NC(=O)NC1=O)NCC[N@H+]1CCc2c(Cl)cccc2C1	ZINC000188777757	547407253	/nfs/dbraw/zinc/40/72/53/547407253.db2.gz	LUZQFEHBCJNFAD-AWEZNQCLSA-N	-1	2	364.833	0.803	10	0		FCAELM
CCOC(=O)c1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)o1	ZINC000921908580	667537483	/nfs/dbraw/zinc/53/74/83/667537483.db2.gz	POWQHRSXHIATBY-CYBMUJFWSA-N	-1	2	372.443	0.988	10	0		FCAELM
CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)Cc1cnn(C)c1	ZINC000847847827	671229380	/nfs/dbraw/zinc/22/93/80/671229380.db2.gz	WLVHDWPBJDISBW-VIFPVBQESA-N	-1	2	370.353	0.069	10	0		FCAELM
C[NH+]1CCN(c2cccc(C(=O)N3CCSC[C@H]3c3nn[nH]n3)n2)CC1	ZINC000907477830	1195695978	/nfs/dbraw/zinc/69/59/78/1195695978.db2.gz	UZZJOJKHHPYSAF-ZDUSSCGKSA-N	-1	2	374.474	0.277	10	0		FCAELM
C[NH+]1CCN(c2cccc(C(=O)N3CCSC[C@H]3c3nn[n-]n3)n2)CC1	ZINC000907477830	1195695985	/nfs/dbraw/zinc/69/59/85/1195695985.db2.gz	UZZJOJKHHPYSAF-ZDUSSCGKSA-N	-1	2	374.474	0.277	10	0		FCAELM
O=C(Nn1c(=O)[n-][nH]c1=O)c1cnnn1-c1cccc(Cl)c1Cl	ZINC001628804982	1290556698	/nfs/dbraw/zinc/55/66/98/1290556698.db2.gz	DKVQNMVKNPQWOQ-UHFFFAOYSA-N	-1	2	356.129	0.961	10	0		FCAELM
Cn1c(=O)c2ccc(C(=O)N3CCC(c4nn[nH]n4)CC3)cc2[n-]c1=S	ZINC001644045151	1290937203	/nfs/dbraw/zinc/93/72/03/1290937203.db2.gz	GLZVUGWJHPIDTD-UHFFFAOYSA-N	-1	2	371.426	0.755	10	0		FCAELM
CCOC(=O)c1n[nH]c(CNC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])n1	ZINC001654490188	1291414541	/nfs/dbraw/zinc/41/45/41/1291414541.db2.gz	GTNIHHSRZOXSOX-UHFFFAOYSA-N	-1	2	374.332	0.942	10	0		FCAELM
O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1C[C@H]1CCS(=O)(=O)C1	ZINC001327913828	871136045	/nfs/dbraw/zinc/13/60/45/871136045.db2.gz	SDDGIUCQABJWRN-UTLUCORTSA-N	-1	2	372.365	0.017	10	0		FCAELM
O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1C[C@H]1CCS(=O)(=O)C1	ZINC001327913828	871136047	/nfs/dbraw/zinc/13/60/47/871136047.db2.gz	SDDGIUCQABJWRN-UTLUCORTSA-N	-1	2	372.365	0.017	10	0		FCAELM
CC[C@H](NC(=O)CCc1nn[nH]n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000631806030	492856489	/nfs/dbraw/zinc/85/64/89/492856489.db2.gz	ZNDMWDHCTOXLDT-HOTGVXAUSA-N	-1	2	358.446	0.928	10	0		FCAELM
C[C@H]1CCN(S(=O)(=O)c2ncc[nH]2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F	ZINC000867269593	670607592	/nfs/dbraw/zinc/60/75/92/670607592.db2.gz	JVWYEWSDOKPRSP-CIUDSAMLSA-N	-1	2	354.354	0.876	10	0		FCAELM
c1ccc(Cn2c(-c3nn[nH]n3)nnc2N2CC[NH+](C3CC3)CC2)cc1	ZINC001122159157	1222245362	/nfs/dbraw/zinc/24/53/62/1222245362.db2.gz	AAYSBGCRACXEIA-UHFFFAOYSA-N	-1	2	351.418	0.791	10	0		FCAELM
c1ccc(Cn2c(-c3nn[nH]n3)nnc2N2CCN(C3CC3)CC2)cc1	ZINC001122159157	1222245367	/nfs/dbraw/zinc/24/53/67/1222245367.db2.gz	AAYSBGCRACXEIA-UHFFFAOYSA-N	-1	2	351.418	0.791	10	0		FCAELM
CC[C@@H]1C[C@H]1C(=O)NCc1cc(=O)[nH]c(CNC(=O)Cc2[nH]cc[nH+]2)n1	ZINC001739982987	1290458338	/nfs/dbraw/zinc/45/83/38/1290458338.db2.gz	MXNYWSGBPSWYHH-ZYHUDNBSSA-N	-1	2	358.402	0.427	10	0		FCAELM
CCn1cc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2-n2cnnc2)cn1	ZINC000548264657	490452587	/nfs/dbraw/zinc/45/25/87/490452587.db2.gz	UBKSYFBEELNKEH-UHFFFAOYSA-N	-1	2	362.371	0.983	10	0		FCAELM
COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)[C@@H](C)C(=O)N(C)C	ZINC000650407355	492638256	/nfs/dbraw/zinc/63/82/56/492638256.db2.gz	DTHRFVUPTICJDQ-JTQLQIEISA-N	-1	2	358.416	0.931	10	0		FCAELM
Cn1[nH]c([C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccc3c(c2)OCO3)nc1=N	ZINC000450907900	490497462	/nfs/dbraw/zinc/49/74/62/490497462.db2.gz	GSHWBSYLFNANAN-AAEUAGOBSA-N	-1	2	361.402	0.533	10	0		FCAELM
Cc1cc(=NC(=O)[C@H]2C(C)[C@@H]2C(=O)N=c2cc(C)c(C)n[nH]2)[n-]nc1C	ZINC000622803813	492489111	/nfs/dbraw/zinc/48/91/11/492489111.db2.gz	VUKBWOINCOLASH-HOTGVXAUSA-N	-1	2	354.414	0.803	10	0		FCAELM
C[N@@H+]1CCO[C@@H](CS(=O)(=O)N[C@H]2CCN(c3ccccc3)C2=O)C1	ZINC000631935155	492891546	/nfs/dbraw/zinc/89/15/46/492891546.db2.gz	QIMJUTRPRRUGNZ-CABCVRRESA-N	-1	2	353.444	0.042	10	0		FCAELM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(CNC(=O)C(F)(F)F)o1	ZINC000860546151	671896356	/nfs/dbraw/zinc/89/63/56/671896356.db2.gz	IZJDHUWMCNYIGZ-SSDOTTSWSA-N	-1	2	372.321	0.553	10	0		FCAELM
COC(=O)c1ccc(F)cc1S(=O)(=O)NC[C@H]1C[N@H+]2CCN1CCC2	ZINC000394675162	836063675	/nfs/dbraw/zinc/06/36/75/836063675.db2.gz	RNDNQHAJNPLHFN-ZDUSSCGKSA-N	-1	2	371.434	0.281	10	0		FCAELM
Cc1cc(N2CCC[C@H](NC(=O)c3cccc4[nH]nnc43)C2=O)n(C)n1	ZINC000188223226	488411421	/nfs/dbraw/zinc/41/14/21/488411421.db2.gz	GPYZOCOHDGZZKX-ZDUSSCGKSA-N	-1	2	353.386	0.925	10	0		FCAELM
COC(=O)[C@@H](C)CS(=O)(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC	ZINC000268072559	488838142	/nfs/dbraw/zinc/83/81/42/488838142.db2.gz	KSWCRNDLGYBDRE-QMMMGPOBSA-N	-1	2	361.372	0.953	10	0		FCAELM
Cn1[nH]c([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc3c(c2)OCO3)nc1=N	ZINC000450907903	490498183	/nfs/dbraw/zinc/49/81/83/490498183.db2.gz	GSHWBSYLFNANAN-YPMHNXCESA-N	-1	2	361.402	0.533	10	0		FCAELM
CS(=O)(=O)c1nnc(NC(=O)c2ccc(Br)c(O)c2)[n-]1	ZINC000486588443	490648518	/nfs/dbraw/zinc/64/85/18/490648518.db2.gz	VLZHGPDBFKADBG-UHFFFAOYSA-N	-1	2	361.177	0.929	10	0		FCAELM
CS(=O)(=O)c1nc(NC(=O)c2ccc(Br)c(O)c2)n[n-]1	ZINC000486588443	490648524	/nfs/dbraw/zinc/64/85/24/490648524.db2.gz	VLZHGPDBFKADBG-UHFFFAOYSA-N	-1	2	361.177	0.929	10	0		FCAELM
CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc(Br)c(O)c2)n1	ZINC000486588443	490648528	/nfs/dbraw/zinc/64/85/28/490648528.db2.gz	VLZHGPDBFKADBG-UHFFFAOYSA-N	-1	2	361.177	0.929	10	0		FCAELM
Cn1ncc(NS(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)c1C(=O)[O-]	ZINC000540293452	490814354	/nfs/dbraw/zinc/81/43/54/490814354.db2.gz	WCAJLOOZNZIUBV-UHFFFAOYSA-N	-1	2	371.396	0.249	10	0		FCAELM
Cc1nn(C)cc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1-n1cnnc1	ZINC000548768573	547063976	/nfs/dbraw/zinc/06/39/76/547063976.db2.gz	ZXXCQHLBCRPBOY-UHFFFAOYSA-N	-1	2	362.371	0.808	10	0		FCAELM
C[N@H+](Cc1cc(=O)n2nc(N)[nH]c2n1)C[C@@H]1CN(c2ccccc2)C(=O)O1	ZINC001197484935	1208167097	/nfs/dbraw/zinc/16/70/97/1208167097.db2.gz	ZSWZHJVVIFJPHP-CYBMUJFWSA-N	-1	2	369.385	0.457	10	0		FCAELM
O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N[C@@H]1CCc2[nH+]c[nH]c2C1	ZINC000361279436	215388286	/nfs/dbraw/zinc/38/82/86/215388286.db2.gz	XLWWVCPQKTVGCN-LLVKDONJSA-N	-1	2	353.382	0.889	10	0		FCAELM
O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N[C@@H]1CCc2[nH]c[nH+]c2C1	ZINC000361279436	215388288	/nfs/dbraw/zinc/38/82/88/215388288.db2.gz	XLWWVCPQKTVGCN-LLVKDONJSA-N	-1	2	353.382	0.889	10	0		FCAELM
CC[C@@H](C(=O)N1CCC[C@H]1c1nc(=N)n(C)[nH]1)[N@@H+]1CCO[C@H](CC)C1	ZINC000582909212	491831871	/nfs/dbraw/zinc/83/18/71/491831871.db2.gz	IMWIOTIHDRTQRK-RDBSUJKOSA-N	-1	2	350.467	0.781	10	0		FCAELM
C[N@@H+]1CCO[C@@H](CS(=O)(=O)N[C@@H]2CCN(c3ccccc3)C2=O)C1	ZINC000631935157	492891525	/nfs/dbraw/zinc/89/15/25/492891525.db2.gz	QIMJUTRPRRUGNZ-HUUCEWRRSA-N	-1	2	353.444	0.042	10	0		FCAELM
COc1cccc([C@H](CNS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)OC)c1	ZINC000632589679	493037851	/nfs/dbraw/zinc/03/78/51/493037851.db2.gz	VFNFETGSYGGKRO-HOTGVXAUSA-N	-1	2	358.460	0.633	10	0		FCAELM
COc1cc(NS(=O)(=O)c2cc(OC)c(OC)c(C(=O)[O-])c2)nn1C	ZINC000328073452	488921062	/nfs/dbraw/zinc/92/10/62/488921062.db2.gz	RIFRPDJEULJDDC-UHFFFAOYSA-N	-1	2	371.371	0.945	10	0		FCAELM
C[C@@H]1CCN(C(=O)C(=O)N=c2nc(C(C)(C)C)[nH]s2)C[C@H]1C(=O)[O-]	ZINC000563132885	491218651	/nfs/dbraw/zinc/21/86/51/491218651.db2.gz	BCRGBKWNEGOABO-RKDXNWHRSA-N	-1	2	354.432	0.765	10	0		FCAELM
Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1CC[NH2+]C[C@](C)(F)C1	ZINC000566251939	491431034	/nfs/dbraw/zinc/43/10/34/491431034.db2.gz	ZOKFWJLNIATJHY-KRWDZBQOSA-N	-1	2	360.393	0.650	10	0		FCAELM
CC[C@@H](NC(=O)CCc1nn[nH]n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000631806031	492856724	/nfs/dbraw/zinc/85/67/24/492856724.db2.gz	ZNDMWDHCTOXLDT-HZPDHXFCSA-N	-1	2	358.446	0.928	10	0		FCAELM
CC(C)(NC(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1	ZINC000861139281	671938836	/nfs/dbraw/zinc/93/88/36/671938836.db2.gz	RHVHDWJNMSNSHS-ZETCQYMHSA-N	-1	2	360.354	0.457	10	0		FCAELM
CCN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1	ZINC001482971231	1192476976	/nfs/dbraw/zinc/47/69/76/1192476976.db2.gz	ZEJFQBCMXKNTIP-LSDHHAIUSA-N	-1	2	361.421	0.989	10	0		FCAELM
Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N(Cc1nn[n-]n1)CC(C)C	ZINC001651180680	1291202967	/nfs/dbraw/zinc/20/29/67/1291202967.db2.gz	JXDPWCACHVAOSG-UHFFFAOYSA-N	-1	2	358.406	0.792	10	0		FCAELM
COC(=O)c1ccc(F)cc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCN1CCC2	ZINC000394675156	836063566	/nfs/dbraw/zinc/06/35/66/836063566.db2.gz	RNDNQHAJNPLHFN-CYBMUJFWSA-N	-1	2	371.434	0.281	10	0		FCAELM
O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1C[C@@H]1CCS(=O)(=O)C1	ZINC001327913826	871135596	/nfs/dbraw/zinc/13/55/96/871135596.db2.gz	SDDGIUCQABJWRN-GUBZILKMSA-N	-1	2	372.365	0.017	10	0		FCAELM
O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1C[C@@H]1CCS(=O)(=O)C1	ZINC001327913826	871135605	/nfs/dbraw/zinc/13/56/05/871135605.db2.gz	SDDGIUCQABJWRN-GUBZILKMSA-N	-1	2	372.365	0.017	10	0		FCAELM
Cn1cc([C@@H](CO)NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)cn1	ZINC000443021270	248303469	/nfs/dbraw/zinc/30/34/69/248303469.db2.gz	DFSBWBZKBICERE-OAHLLOKOSA-N	-1	2	361.427	0.677	10	0		FCAELM
C[C@H]1CCN(C(=O)C(=O)N=c2nc(C(C)(C)C)[nH]s2)C[C@@H]1C(=O)[O-]	ZINC000563132884	491218681	/nfs/dbraw/zinc/21/86/81/491218681.db2.gz	BCRGBKWNEGOABO-IUCAKERBSA-N	-1	2	354.432	0.765	10	0		FCAELM
Cc1nc(N)c(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2O)c[nH+]1	ZINC000556844134	491340584	/nfs/dbraw/zinc/34/05/84/491340584.db2.gz	PSUZTQKLUAUSPN-CQSZACIVSA-N	-1	2	355.398	0.994	10	0		FCAELM
CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1	ZINC000559287376	491461485	/nfs/dbraw/zinc/46/14/85/491461485.db2.gz	PPAJEGVZZJSLFQ-JTQLQIEISA-N	-1	2	365.415	0.902	10	0		FCAELM
C[C@@H](NC(=O)N=c1ncn(CC(=O)N(C)C)[nH]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000653539944	493157315	/nfs/dbraw/zinc/15/73/15/493157315.db2.gz	RBAGLCNEJXDOQK-OUAUKWLOSA-N	-1	2	366.422	0.045	10	0		FCAELM
O=C(CC[C@H]1NC(=O)NC1=O)NCC[N@H+]1CCc2c(Cl)cccc2C1	ZINC000188777735	547407028	/nfs/dbraw/zinc/40/70/28/547407028.db2.gz	LUZQFEHBCJNFAD-CQSZACIVSA-N	-1	2	364.833	0.803	10	0		FCAELM
C[N@@H+]1CCC[C@H](NC(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1	ZINC000052589814	663614376	/nfs/dbraw/zinc/61/43/76/663614376.db2.gz	GWQDTJZVAVSCOH-NSHDSACASA-N	-1	2	368.463	0.018	10	0		FCAELM
O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ncccc1O	ZINC000852958516	671534020	/nfs/dbraw/zinc/53/40/20/671534020.db2.gz	MPMVJIZVGCVXAN-XCBNKYQSSA-N	-1	2	361.276	0.524	10	0		FCAELM
Cc1c(O)ccc2c(C[N@@H+]3CC[C@H](NS(C)(=O)=O)C3)cc(=O)oc12	ZINC000116891831	208335679	/nfs/dbraw/zinc/33/56/79/208335679.db2.gz	ZOFUYPHQLRCEGL-LBPRGKRZSA-N	-1	2	352.412	0.931	10	0		FCAELM
O=P([O-])(O)C(O)(CC[N@@H+]1CC[C@H](c2ccccc2)C1)P(=O)([O-])O	ZINC000027194842	487690492	/nfs/dbraw/zinc/69/04/92/487690492.db2.gz	YOXLICBFUZYKFK-LBPRGKRZSA-N	-1	2	365.259	0.868	10	0		FCAELM
O=P([O-])(O)C(O)(CC[N@H+]1CC[C@H](c2ccccc2)C1)P(=O)([O-])O	ZINC000027194842	487690502	/nfs/dbraw/zinc/69/05/02/487690502.db2.gz	YOXLICBFUZYKFK-LBPRGKRZSA-N	-1	2	365.259	0.868	10	0		FCAELM
O=P([O-])(O)C(O)(CC[NH+]1CC[C@H](c2ccccc2)C1)[P@@](=O)([O-])O	ZINC000027194842	487690507	/nfs/dbraw/zinc/69/05/07/487690507.db2.gz	YOXLICBFUZYKFK-LBPRGKRZSA-N	-1	2	365.259	0.868	10	0		FCAELM
O=P([O-])(O)C(O)(CC[NH+]1CC[C@H](c2ccccc2)C1)[P@](=O)([O-])O	ZINC000027194842	487690513	/nfs/dbraw/zinc/69/05/13/487690513.db2.gz	YOXLICBFUZYKFK-LBPRGKRZSA-N	-1	2	365.259	0.868	10	0		FCAELM
C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1)c1ccccc1	ZINC000289503024	489071797	/nfs/dbraw/zinc/07/17/97/489071797.db2.gz	UJCYQHGVGPLDMT-CVEARBPZSA-N	-1	2	372.473	0.697	10	0		FCAELM
O=C([O-])CCNC(=O)C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1	ZINC000420603013	490001567	/nfs/dbraw/zinc/00/15/67/490001567.db2.gz	SYHSGEIBBFNGHE-GFCCVEGCSA-N	-1	2	357.370	0.726	10	0		FCAELM
CS(=O)(=O)c1nnc(NC(=O)c2ccc(Br)cc2O)[n-]1	ZINC000436942265	490017261	/nfs/dbraw/zinc/01/72/61/490017261.db2.gz	UTYHRPNZPYFQLR-UHFFFAOYSA-N	-1	2	361.177	0.929	10	0		FCAELM
CS(=O)(=O)c1nc(NC(=O)c2ccc(Br)cc2O)n[n-]1	ZINC000436942265	490017265	/nfs/dbraw/zinc/01/72/65/490017265.db2.gz	UTYHRPNZPYFQLR-UHFFFAOYSA-N	-1	2	361.177	0.929	10	0		FCAELM
CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc(Br)cc2O)n1	ZINC000436942265	490017269	/nfs/dbraw/zinc/01/72/69/490017269.db2.gz	UTYHRPNZPYFQLR-UHFFFAOYSA-N	-1	2	361.177	0.929	10	0		FCAELM
CN(C(=O)CCNS(=O)(=O)c1cccs1)[C@@H]1CC[N@H+]2CCO[C@H]1C2	ZINC000574605755	491508112	/nfs/dbraw/zinc/50/81/12/491508112.db2.gz	PVZHXZUXJAZAFR-OLZOCXBDSA-N	-1	2	373.500	0.348	10	0		FCAELM
C[C@@H](CNC(=O)C(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1)C(=O)[O-]	ZINC000656002793	492511419	/nfs/dbraw/zinc/51/14/19/492511419.db2.gz	JZLPFVPFVGWQFE-AAEUAGOBSA-N	-1	2	371.397	0.972	10	0		FCAELM
O=C(C[N@H+]1CC[C@@H](c2nn[nH]n2)C1)NCCOc1cccc(Cl)c1	ZINC001197294641	853095275	/nfs/dbraw/zinc/09/52/75/853095275.db2.gz	BORWPWWLBODVPZ-LLVKDONJSA-N	-1	2	350.810	0.838	10	0		FCAELM
O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1C[C@@H]1CCS(=O)(=O)C1	ZINC001327913821	871136159	/nfs/dbraw/zinc/13/61/59/871136159.db2.gz	SDDGIUCQABJWRN-AEJSXWLSSA-N	-1	2	372.365	0.017	10	0		FCAELM
O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1C[C@@H]1CCS(=O)(=O)C1	ZINC001327913821	871136169	/nfs/dbraw/zinc/13/61/69/871136169.db2.gz	SDDGIUCQABJWRN-AEJSXWLSSA-N	-1	2	372.365	0.017	10	0		FCAELM
C[C@H]1CCN(C(=O)C(=O)N=c2nc(C(C)(C)C)[nH]s2)C[C@H]1C(=O)[O-]	ZINC000563132883	491218456	/nfs/dbraw/zinc/21/84/56/491218456.db2.gz	BCRGBKWNEGOABO-DTWKUNHWSA-N	-1	2	354.432	0.765	10	0		FCAELM
C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(NS(C)(=O)=O)cc3)C[C@H]21	ZINC000408021470	490211508	/nfs/dbraw/zinc/21/15/08/490211508.db2.gz	IDWAGXAROCVGTG-CABCVRRESA-N	-1	2	353.444	0.603	10	0		FCAELM
CS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cn1	ZINC000528546183	490807967	/nfs/dbraw/zinc/80/79/67/490807967.db2.gz	BFQAFXFEFMJUQR-ZDUSSCGKSA-N	-1	2	373.500	0.780	10	0		FCAELM
COC(=O)c1c(C)oc(C)c1S(=O)(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000589225189	491757716	/nfs/dbraw/zinc/75/77/16/491757716.db2.gz	MIJGUFXQDITYCL-CABZTGNLSA-N	-1	2	360.432	0.680	10	0		FCAELM
COC(=O)c1c(C)oc(C)c1S(=O)(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000589225194	491757754	/nfs/dbraw/zinc/75/77/54/491757754.db2.gz	MIJGUFXQDITYCL-SKDRFNHKSA-N	-1	2	360.432	0.680	10	0		FCAELM
CCOC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)o1	ZINC000921908582	667537781	/nfs/dbraw/zinc/53/77/81/667537781.db2.gz	POWQHRSXHIATBY-ZDUSSCGKSA-N	-1	2	372.443	0.988	10	0		FCAELM
O=c1[n-]nnn1-c1ccc(NS(=O)(=O)c2cnn(CC3CC3)c2)cc1	ZINC000799925948	669324549	/nfs/dbraw/zinc/32/45/49/669324549.db2.gz	FZAFTDRERQKBLY-UHFFFAOYSA-N	-1	2	361.387	0.775	10	0		FCAELM
O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cccc(F)n1	ZINC000851700290	671459998	/nfs/dbraw/zinc/45/99/98/671459998.db2.gz	AQFIUCUHKPEIEL-XVKPBYJWSA-N	-1	2	363.267	0.957	10	0		FCAELM
Cn1c(=O)c2ccc(C(=O)N3CCC[C@H](c4nn[nH]n4)C3)cc2[n-]c1=S	ZINC000752911267	1220083883	/nfs/dbraw/zinc/08/38/83/1220083883.db2.gz	HURQDQWFUSUOFY-JTQLQIEISA-N	-1	2	371.426	0.755	10	0		FCAELM
Cc1ccc(S(=O)(=O)[N-]C(=O)CSc2nnc(C)c(=O)[nH]2)cc1	ZINC000032521589	208030587	/nfs/dbraw/zinc/03/05/87/208030587.db2.gz	GQXIKPBCMCOHIV-UHFFFAOYSA-N	-1	2	354.413	0.379	10	0		FCAELM
Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)NCC[NH+]1CCOCC1	ZINC000524291275	490530500	/nfs/dbraw/zinc/53/05/00/490530500.db2.gz	WIPSCCDFQISNEJ-UHFFFAOYSA-N	-1	2	371.441	0.521	10	0		FCAELM
C[N@@H+]1CCO[C@H](CS(=O)(=O)N[C@H]2CCN(c3ccccc3)C2=O)C1	ZINC000631935156	492891050	/nfs/dbraw/zinc/89/10/50/492891050.db2.gz	QIMJUTRPRRUGNZ-GJZGRUSLSA-N	-1	2	353.444	0.042	10	0		FCAELM
O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ncccc1O	ZINC000852958514	671533956	/nfs/dbraw/zinc/53/39/56/671533956.db2.gz	MPMVJIZVGCVXAN-GMSGAONNSA-N	-1	2	361.276	0.524	10	0		FCAELM
CCOC(=O)c1n[nH]nc1[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](CC)CCO1	ZINC001637909424	1282639217	/nfs/dbraw/zinc/63/92/17/1282639217.db2.gz	GMJLLSATTNRQHV-NEPJUHHUSA-N	-1	2	351.407	0.366	10	0		FCAELM
CCn1c(=O)c2ccc(C(=O)N3CC[C@H](c4nn[nH]n4)C3)cc2[n-]c1=S	ZINC001643387819	1290883625	/nfs/dbraw/zinc/88/36/25/1290883625.db2.gz	VZKHOMOFBRRDCM-JTQLQIEISA-N	-1	2	371.426	0.848	10	0		FCAELM
CNC(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)cn1C	ZINC000324607515	488906334	/nfs/dbraw/zinc/90/63/34/488906334.db2.gz	JHNKOHJFJWJXLG-UHFFFAOYSA-N	-1	2	353.356	0.589	10	0		FCAELM
O=C([O-])CCNC(=O)C(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1	ZINC000420603015	490001583	/nfs/dbraw/zinc/00/15/83/490001583.db2.gz	SYHSGEIBBFNGHE-LBPRGKRZSA-N	-1	2	357.370	0.726	10	0		FCAELM
CS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cn1	ZINC000528546179	490808026	/nfs/dbraw/zinc/80/80/26/490808026.db2.gz	BFQAFXFEFMJUQR-CYBMUJFWSA-N	-1	2	373.500	0.780	10	0		FCAELM
C[C@H](CNC(=O)C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1)C(=O)[O-]	ZINC000656002794	492511447	/nfs/dbraw/zinc/51/14/47/492511447.db2.gz	JZLPFVPFVGWQFE-DGCLKSJQSA-N	-1	2	371.397	0.972	10	0		FCAELM
Cc1cn(C)nc1NS(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2	ZINC000663266141	493581422	/nfs/dbraw/zinc/58/14/22/493581422.db2.gz	MVQRQAQJYVOSCQ-UHFFFAOYSA-N	-1	2	353.356	0.999	10	0		FCAELM
O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)c1ccoc1	ZINC000849232505	671323846	/nfs/dbraw/zinc/32/38/46/671323846.db2.gz	NYEFIJFKDQETAT-RKDXNWHRSA-N	-1	2	370.305	0.564	10	0		FCAELM
O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)COCC(F)F	ZINC000902067761	675825315	/nfs/dbraw/zinc/82/53/15/675825315.db2.gz	XJGHEHNVHCGQGN-IMTBSYHQSA-N	-1	2	362.251	0.391	10	0		FCAELM
O=C(C[N@H+]1CC[C@H](c2nn[nH]n2)C1)NCCOc1cccc(Cl)c1	ZINC001197294644	853094895	/nfs/dbraw/zinc/09/48/95/853094895.db2.gz	BORWPWWLBODVPZ-NSHDSACASA-N	-1	2	350.810	0.838	10	0		FCAELM
C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1)c1ccccc1	ZINC000289503028	489071898	/nfs/dbraw/zinc/07/18/98/489071898.db2.gz	UJCYQHGVGPLDMT-HZPDHXFCSA-N	-1	2	372.473	0.697	10	0		FCAELM
CS(=O)(=O)c1nnc(NC(=O)c2cc(Br)ccc2O)[n-]1	ZINC000436937535	490017672	/nfs/dbraw/zinc/01/76/72/490017672.db2.gz	FLSJRYAURCFJRM-UHFFFAOYSA-N	-1	2	361.177	0.929	10	0		FCAELM
CS(=O)(=O)c1nc(NC(=O)c2cc(Br)ccc2O)n[n-]1	ZINC000436937535	490017677	/nfs/dbraw/zinc/01/76/77/490017677.db2.gz	FLSJRYAURCFJRM-UHFFFAOYSA-N	-1	2	361.177	0.929	10	0		FCAELM
CS(=O)(=O)c1n[n-]c(NC(=O)c2cc(Br)ccc2O)n1	ZINC000436937535	490017680	/nfs/dbraw/zinc/01/76/80/490017680.db2.gz	FLSJRYAURCFJRM-UHFFFAOYSA-N	-1	2	361.177	0.929	10	0		FCAELM
COc1cc(NS(=O)(=O)c2ccc(OC)c(CC(=O)[O-])c2)nn1C	ZINC000547822458	490363237	/nfs/dbraw/zinc/36/32/37/490363237.db2.gz	IRITXJHWDCDCBM-UHFFFAOYSA-N	-1	2	355.372	0.865	10	0		FCAELM
Cn1cnc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2C(=O)[O-])c1	ZINC000577928088	491663808	/nfs/dbraw/zinc/66/38/08/491663808.db2.gz	PPRRREUEXICVBV-UHFFFAOYSA-N	-1	2	366.399	0.756	10	0		FCAELM
CC(C)(C)c1nc(=NC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)s[nH]1	ZINC000647484739	492294442	/nfs/dbraw/zinc/29/44/42/492294442.db2.gz	HRQCEMZBCGDJJE-UHFFFAOYSA-N	-1	2	354.432	0.909	10	0		FCAELM
Cc1cnn(C)c1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1-n1cnnc1	ZINC000551910268	547174771	/nfs/dbraw/zinc/17/47/71/547174771.db2.gz	NCDNAWGOHHDNAW-UHFFFAOYSA-N	-1	2	362.371	0.808	10	0		FCAELM
Cc1cc(=O)[nH]c(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)n1	ZINC000814650017	669890385	/nfs/dbraw/zinc/89/03/85/669890385.db2.gz	JBZRYJACCSCCBJ-UHFFFAOYSA-N	-1	2	352.416	0.649	10	0		FCAELM
O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cccc(F)n1	ZINC000851700286	671460050	/nfs/dbraw/zinc/46/00/50/671460050.db2.gz	AQFIUCUHKPEIEL-GMSGAONNSA-N	-1	2	363.267	0.957	10	0		FCAELM
Cn1c(=O)c2ccc(C(=O)N3CCC[C@@H](c4nn[nH]n4)C3)cc2[n-]c1=S	ZINC000752911317	1220083924	/nfs/dbraw/zinc/08/39/24/1220083924.db2.gz	HURQDQWFUSUOFY-SNVBAGLBSA-N	-1	2	371.426	0.755	10	0		FCAELM
CC[C@H](NC(=O)C(=O)N=c1nc(-c2cccc(OC)c2)[nH]s1)C(=O)[O-]	ZINC000647489123	492295927	/nfs/dbraw/zinc/29/59/27/492295927.db2.gz	QCHHWEQXSCKBKN-JTQLQIEISA-N	-1	2	364.383	0.554	10	0		FCAELM
O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)c1ccoc1	ZINC000849232502	671323820	/nfs/dbraw/zinc/32/38/20/671323820.db2.gz	NYEFIJFKDQETAT-BDAKNGLRSA-N	-1	2	370.305	0.564	10	0		FCAELM
C[NH+]1CCN(c2cccc(C(=O)N3CCSC[C@@H]3c3nn[nH]n3)n2)CC1	ZINC000907477828	1195695598	/nfs/dbraw/zinc/69/55/98/1195695598.db2.gz	UZZJOJKHHPYSAF-CYBMUJFWSA-N	-1	2	374.474	0.277	10	0		FCAELM
C[NH+]1CCN(c2cccc(C(=O)N3CCSC[C@@H]3c3nn[n-]n3)n2)CC1	ZINC000907477828	1195695603	/nfs/dbraw/zinc/69/56/03/1195695603.db2.gz	UZZJOJKHHPYSAF-CYBMUJFWSA-N	-1	2	374.474	0.277	10	0		FCAELM
Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cnc[nH]c2=O)C1	ZINC001515117756	1265434664	/nfs/dbraw/zinc/43/46/64/1265434664.db2.gz	QXEYXVDUOHPVQG-NWDGAFQWSA-N	-1	2	358.402	0.471	10	0		FCAELM
O=C(C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)NC1C2CC3CC(C2)CC1C3	ZINC000563848613	491272630	/nfs/dbraw/zinc/27/26/30/491272630.db2.gz	APEDRBWUDNFUNU-YHMTWOOMSA-N	-1	2	360.458	0.601	10	0		FCAELM
Cn1[nH]c([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccc3c(c2)OCO3)nc1=N	ZINC000450907902	490497378	/nfs/dbraw/zinc/49/73/78/490497378.db2.gz	GSHWBSYLFNANAN-WCQYABFASA-N	-1	2	361.402	0.533	10	0		FCAELM
COc1cc(C(=O)[O-])cc(NS(=O)(=O)[C@H](C)C(=O)N(C)C)c1OC	ZINC000580437154	491731373	/nfs/dbraw/zinc/73/13/73/491731373.db2.gz	KRUNWYCISJKTJE-MRVPVSSYSA-N	-1	2	360.388	0.620	10	0		FCAELM
O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)c1ccoc1	ZINC000849232503	671323754	/nfs/dbraw/zinc/32/37/54/671323754.db2.gz	NYEFIJFKDQETAT-DTWKUNHWSA-N	-1	2	370.305	0.564	10	0		FCAELM
O=C([N-]S(=O)(=O)N1CCCC1)c1ccc(CNC(=O)C(F)(F)F)o1	ZINC000860495345	671890975	/nfs/dbraw/zinc/89/09/75/671890975.db2.gz	JGAJASSKFOKMPL-UHFFFAOYSA-N	-1	2	369.321	0.529	10	0		FCAELM
O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)COCC(F)F	ZINC000902067762	675825193	/nfs/dbraw/zinc/82/51/93/675825193.db2.gz	XJGHEHNVHCGQGN-MUWHJKNJSA-N	-1	2	362.251	0.391	10	0		FCAELM
O=P([O-])(O)C(O)(CC[NH2+]CCCCc1ccccc1)[P@@](=O)([O-])O	ZINC000001551167	210360925	/nfs/dbraw/zinc/36/09/25/210360925.db2.gz	JDIWTTKIIXYWHP-UHFFFAOYSA-N	-1	2	367.275	0.991	10	0		FCAELM
O=P([O-])(O)C(O)(CC[NH2+]CCCCc1ccccc1)[P@](=O)([O-])O	ZINC000001551167	210360935	/nfs/dbraw/zinc/36/09/35/210360935.db2.gz	JDIWTTKIIXYWHP-UHFFFAOYSA-N	-1	2	367.275	0.991	10	0		FCAELM
CN(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)cn1C	ZINC000537036684	490641317	/nfs/dbraw/zinc/64/13/17/490641317.db2.gz	RBGUETJKRICMRN-UHFFFAOYSA-N	-1	2	367.383	0.932	10	0		FCAELM
O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ncccc1O	ZINC000852958517	671533918	/nfs/dbraw/zinc/53/39/18/671533918.db2.gz	MPMVJIZVGCVXAN-XVKPBYJWSA-N	-1	2	361.276	0.524	10	0		FCAELM
CCN(CC)S(=O)(=O)[N-]C(=O)c1ccc(CNC(=O)C(F)(F)F)o1	ZINC001261813974	858673611	/nfs/dbraw/zinc/67/36/11/858673611.db2.gz	LQBNMRBTBFFKCA-UHFFFAOYSA-N	-1	2	371.337	0.775	10	0		FCAELM
COC(=O)[C@H](C)CS(=O)(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC	ZINC000268072557	488838206	/nfs/dbraw/zinc/83/82/06/488838206.db2.gz	KSWCRNDLGYBDRE-MRVPVSSYSA-N	-1	2	361.372	0.953	10	0		FCAELM
O=C(C[N@@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1)NC(=O)NC1CCCCC1	ZINC000289546616	489075911	/nfs/dbraw/zinc/07/59/11/489075911.db2.gz	WZRCEFIABYVZRU-NSHDSACASA-N	-1	2	350.423	0.436	10	0		FCAELM
Cc1ncc(S(=O)(=O)Nc2ccc(C(=O)NCCC(=O)[O-])cc2)n1C	ZINC000629285720	492601445	/nfs/dbraw/zinc/60/14/45/492601445.db2.gz	XZMKQKFFOCOSEW-UHFFFAOYSA-N	-1	2	366.399	0.734	10	0		FCAELM
O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)COCC(F)F	ZINC000902067763	675825379	/nfs/dbraw/zinc/82/53/79/675825379.db2.gz	XJGHEHNVHCGQGN-RCOVLWMOSA-N	-1	2	362.251	0.391	10	0		FCAELM
CN1CC[NH+](C(C)(C)CNC(=O)c2nc[nH]c(=O)c2Br)CC1	ZINC001144189455	849512275	/nfs/dbraw/zinc/51/22/75/849512275.db2.gz	BZWSMULVGDDUCB-UHFFFAOYSA-N	-1	2	372.267	0.701	10	0		FCAELM
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1cnc(N(C)C)nc1	ZINC000443466360	248326537	/nfs/dbraw/zinc/32/65/37/248326537.db2.gz	NXLOVCRBPIIBMF-UHFFFAOYSA-N	-1	2	366.399	0.979	10	0		FCAELM
CS(=O)(=O)Nc1nnc(NC(=O)c2s[n-]c(=O)c2Cl)s1	ZINC000559279357	491460659	/nfs/dbraw/zinc/46/06/59/491460659.db2.gz	UKLHQXGGCSSNEJ-UHFFFAOYSA-N	-1	2	355.810	0.977	10	0		FCAELM
COc1cc(OC)c(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])c(OC)c1	ZINC000547631169	547053502	/nfs/dbraw/zinc/05/35/02/547053502.db2.gz	DDCIYGNQMFIQRZ-UHFFFAOYSA-N	-1	2	371.371	0.945	10	0		FCAELM
O=C(NCc1n[nH]c(=O)[n-]1)c1cnc(I)c(O)c1	ZINC001587726222	1282375753	/nfs/dbraw/zinc/37/57/53/1282375753.db2.gz	CCZWCDXSCKGRRW-UHFFFAOYSA-N	-1	2	361.099	0.146	10	0		FCAELM
CO[N-]C(=O)CNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1	ZINC001598520512	1286396686	/nfs/dbraw/zinc/39/66/86/1286396686.db2.gz	DSQKABAMLVREPB-UHFFFAOYSA-N	-1	2	370.412	0.351	10	0		FCAELM
O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N[C@H]1CCc2[nH+]c[nH]c2C1	ZINC000361279437	215387742	/nfs/dbraw/zinc/38/77/42/215387742.db2.gz	XLWWVCPQKTVGCN-NSHDSACASA-N	-1	2	353.382	0.889	10	0		FCAELM
O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N[C@H]1CCc2[nH]c[nH+]c2C1	ZINC000361279437	215387744	/nfs/dbraw/zinc/38/77/44/215387744.db2.gz	XLWWVCPQKTVGCN-NSHDSACASA-N	-1	2	353.382	0.889	10	0		FCAELM
CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1	ZINC000108403981	488519082	/nfs/dbraw/zinc/51/90/82/488519082.db2.gz	ZXNZDVQGVJSRBR-CYBMUJFWSA-N	-1	2	358.485	0.853	10	0		FCAELM
O=C(C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O)NC1C2CC3CC(C2)CC1C3	ZINC000563848605	491272855	/nfs/dbraw/zinc/27/28/55/491272855.db2.gz	APEDRBWUDNFUNU-JMNUTLKTSA-N	-1	2	360.458	0.601	10	0		FCAELM
COC(=O)Cc1ccc(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])cc1	ZINC000540292230	490813866	/nfs/dbraw/zinc/81/38/66/490813866.db2.gz	LAIAZNPXRLNGTG-UHFFFAOYSA-N	-1	2	353.356	0.635	10	0		FCAELM
CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1	ZINC000559287377	491461405	/nfs/dbraw/zinc/46/14/05/491461405.db2.gz	PPAJEGVZZJSLFQ-SNVBAGLBSA-N	-1	2	365.415	0.902	10	0		FCAELM
COc1cccc([C@@H](CNS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)OC)c1	ZINC000632589680	493038379	/nfs/dbraw/zinc/03/83/79/493038379.db2.gz	VFNFETGSYGGKRO-HZPDHXFCSA-N	-1	2	358.460	0.633	10	0		FCAELM
Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[nH]c1=O	ZINC001719854555	1186474653	/nfs/dbraw/zinc/47/46/53/1186474653.db2.gz	DUOFHMOUOQUYIM-UGFHNGPFSA-N	-1	2	370.413	0.410	10	0		FCAELM
CS(=O)(=O)Cc1nnc(CNC(=O)c2ccc3[n-]c(=S)oc3c2)[nH]1	ZINC001179021623	850947882	/nfs/dbraw/zinc/94/78/82/850947882.db2.gz	ZWCSHUJTAOTGBD-UHFFFAOYSA-N	-1	2	367.412	0.709	10	0		FCAELM
CCn1nccc1S(=O)(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000471934099	250123911	/nfs/dbraw/zinc/12/39/11/250123911.db2.gz	MVPQLAKPULBBPW-UHFFFAOYSA-N	-1	2	352.372	0.518	10	0		FCAELM
O=[P@]([O-])(O)OC[C@@H]1C[C@@H](O)[C@H](n2cnc3c2ncnc3Cl)O1	ZINC000138916332	488683386	/nfs/dbraw/zinc/68/33/86/488683386.db2.gz	YFJGAOUJMFMUNV-BAJZRUMYSA-N	-1	2	350.655	0.237	10	0		FCAELM
O=[P@@]([O-])(O)OC[C@@H]1C[C@@H](O)[C@H](n2cnc3c2ncnc3Cl)O1	ZINC000138916332	488683387	/nfs/dbraw/zinc/68/33/87/488683387.db2.gz	YFJGAOUJMFMUNV-BAJZRUMYSA-N	-1	2	350.655	0.237	10	0		FCAELM
C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(NS(C)(=O)=O)cc3)C[C@H]21	ZINC000408021472	490211148	/nfs/dbraw/zinc/21/11/48/490211148.db2.gz	IDWAGXAROCVGTG-HUUCEWRRSA-N	-1	2	353.444	0.603	10	0		FCAELM
COc1cc(NS(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)nn1C	ZINC000548149891	490430066	/nfs/dbraw/zinc/43/00/66/490430066.db2.gz	NMPHMXDHWMHLJV-UHFFFAOYSA-N	-1	2	355.372	1.001	10	0		FCAELM
Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1CC[NH2+]C[C@@](C)(F)C1	ZINC000566251941	491431045	/nfs/dbraw/zinc/43/10/45/491431045.db2.gz	ZOKFWJLNIATJHY-QGZVFWFLSA-N	-1	2	360.393	0.650	10	0		FCAELM
C[N@@H+]1CCO[C@H](CS(=O)(=O)NC[C@@H](n2cccn2)C(F)(F)F)C1	ZINC000632589726	493038084	/nfs/dbraw/zinc/03/80/84/493038084.db2.gz	WLZFLXVTMWVZLJ-WDEREUQCSA-N	-1	2	356.370	0.237	10	0		FCAELM
CCN(C)S(=O)(=O)[N-]C(=O)c1ccc(CNC(=O)C(F)(F)F)o1	ZINC000860567323	671898187	/nfs/dbraw/zinc/89/81/87/671898187.db2.gz	AJUFAZBUACHYCB-UHFFFAOYSA-N	-1	2	357.310	0.384	10	0		FCAELM
O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1C[C@H]1CCS(=O)(=O)C1	ZINC001327913824	871135822	/nfs/dbraw/zinc/13/58/22/871135822.db2.gz	SDDGIUCQABJWRN-BBBLOLIVSA-N	-1	2	372.365	0.017	10	0		FCAELM
O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1C[C@H]1CCS(=O)(=O)C1	ZINC001327913824	871135830	/nfs/dbraw/zinc/13/58/30/871135830.db2.gz	SDDGIUCQABJWRN-BBBLOLIVSA-N	-1	2	372.365	0.017	10	0		FCAELM
Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC000443409319	248324602	/nfs/dbraw/zinc/32/46/02/248324602.db2.gz	NFLIIFVQYSZNKT-UHFFFAOYSA-N	-1	2	355.767	0.556	10	0		FCAELM
Cc1nc(N)c(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)c[nH+]1	ZINC000556844133	491340321	/nfs/dbraw/zinc/34/03/21/491340321.db2.gz	PSUZTQKLUAUSPN-AWEZNQCLSA-N	-1	2	355.398	0.994	10	0		FCAELM
COc1cc(C(=O)[O-])cc(NS(=O)(=O)[C@@H](C)C(=O)N(C)C)c1OC	ZINC000580437155	491731477	/nfs/dbraw/zinc/73/14/77/491731477.db2.gz	KRUNWYCISJKTJE-QMMMGPOBSA-N	-1	2	360.388	0.620	10	0		FCAELM
COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)[C@H](C)C(=O)N(C)C	ZINC000650407356	492638076	/nfs/dbraw/zinc/63/80/76/492638076.db2.gz	DTHRFVUPTICJDQ-SNVBAGLBSA-N	-1	2	358.416	0.931	10	0		FCAELM
C[N@@H+]1CCO[C@H](CS(=O)(=O)NC[C@]2(C)COc3ccccc3O2)C1	ZINC000632589784	493037921	/nfs/dbraw/zinc/03/79/21/493037921.db2.gz	XUYFFEBPDKCJLK-XJKSGUPXSA-N	-1	2	356.444	0.467	10	0		FCAELM
CCn1nccc1S(=O)(=O)Nc1ccc(S(=O)(=O)[N-]C(C)=O)cc1	ZINC000769850531	668158603	/nfs/dbraw/zinc/15/86/03/668158603.db2.gz	VTPNINAMOYWLCE-UHFFFAOYSA-N	-1	2	372.428	0.529	10	0		FCAELM
O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cccc(F)n1	ZINC000851700287	671459974	/nfs/dbraw/zinc/45/99/74/671459974.db2.gz	AQFIUCUHKPEIEL-OIBJUYFYSA-N	-1	2	363.267	0.957	10	0		FCAELM
C[C@H]1C(=O)N(NC(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)C(=O)N1C	ZINC001641849245	1282976304	/nfs/dbraw/zinc/97/63/04/1282976304.db2.gz	GLZXQYMDCDTLDG-ZETCQYMHSA-N	-1	2	358.351	0.125	10	0		FCAELM
COC(=O)c1ccc(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)[nH]1	ZINC000509225140	490405921	/nfs/dbraw/zinc/40/59/21/490405921.db2.gz	MKPFLDLYPKUNNF-UHFFFAOYSA-N	-1	2	356.382	0.897	10	0		FCAELM
Cn1[nH]c([C@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc3c(c2)OCO3)nc1=N	ZINC000450907901	490497840	/nfs/dbraw/zinc/49/78/40/490497840.db2.gz	GSHWBSYLFNANAN-DGCLKSJQSA-N	-1	2	361.402	0.533	10	0		FCAELM
CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1	ZINC000537722055	490690752	/nfs/dbraw/zinc/69/07/52/490690752.db2.gz	YIJYYZSYOYPUKF-UHFFFAOYSA-N	-1	2	365.415	0.902	10	0		FCAELM
CC[C@H](C(=O)N1CCC[C@H]1c1nc(=N)n(C)[nH]1)[N@@H+]1CCO[C@H](CC)C1	ZINC000582909210	491831933	/nfs/dbraw/zinc/83/19/33/491831933.db2.gz	IMWIOTIHDRTQRK-MCIONIFRSA-N	-1	2	350.467	0.781	10	0		FCAELM
CC[C@H](C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[nH]1)[N@@H+]1CCO[C@H](CC)C1	ZINC000582909211	491832008	/nfs/dbraw/zinc/83/20/08/491832008.db2.gz	IMWIOTIHDRTQRK-MGPQQGTHSA-N	-1	2	350.467	0.781	10	0		FCAELM
Cc1cc(NCCNC(=O)N=c2nc3n([nH]2)CCCC3)nc(C(C)C)[nH+]1	ZINC000626583659	492998534	/nfs/dbraw/zinc/99/85/34/492998534.db2.gz	RBLVVSTYZMHRMD-UHFFFAOYSA-N	-1	2	358.450	0.914	10	0		FCAELM
CCOc1ccncc1S(=O)(=O)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC000436475092	535561773	/nfs/dbraw/zinc/56/17/73/535561773.db2.gz	FPLMSLNSUKYHPH-UHFFFAOYSA-N	-1	2	362.371	0.962	10	0		FCAELM
O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cccc(F)n1	ZINC000851700288	671460090	/nfs/dbraw/zinc/46/00/90/671460090.db2.gz	AQFIUCUHKPEIEL-XCBNKYQSSA-N	-1	2	363.267	0.957	10	0		FCAELM
CC(C)N(C)S(=O)(=O)[N-]C(=O)c1ccc(CNC(=O)C(F)(F)F)o1	ZINC000860529754	671894078	/nfs/dbraw/zinc/89/40/78/671894078.db2.gz	UVZJRNJJGGBBPL-UHFFFAOYSA-N	-1	2	371.337	0.773	10	0		FCAELM
O=C([N-]S(=O)(=O)[C@H]1CCOC1)c1ccc(CNC(=O)C(F)(F)F)o1	ZINC000860544832	671895615	/nfs/dbraw/zinc/89/56/15/671895615.db2.gz	AWQPHYMGHGXXFP-QMMMGPOBSA-N	-1	2	370.305	0.307	10	0		FCAELM
O=C([N-]S(=O)(=O)[C@@H]1CCOC1)c1ccc(CNC(=O)C(F)(F)F)o1	ZINC000860544829	671895906	/nfs/dbraw/zinc/89/59/06/671895906.db2.gz	AWQPHYMGHGXXFP-MRVPVSSYSA-N	-1	2	370.305	0.307	10	0		FCAELM
CCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(CNC(=O)C(F)(F)F)o1	ZINC000860599630	671900416	/nfs/dbraw/zinc/90/04/16/671900416.db2.gz	NZTWEPAQZPROBT-UHFFFAOYSA-N	-1	2	371.337	0.775	10	0		FCAELM
C[N@H+](Cc1cc(=O)n2nc(N)[nH]c2n1)C[C@H]1CN(c2ccccc2)C(=O)O1	ZINC001197484938	1208166967	/nfs/dbraw/zinc/16/69/67/1208166967.db2.gz	ZSWZHJVVIFJPHP-ZDUSSCGKSA-N	-1	2	369.385	0.457	10	0		FCAELM
COc1nn(C)cc1NS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000473488402	250232685	/nfs/dbraw/zinc/23/26/85/250232685.db2.gz	JSFAHQLPSNSDKI-UHFFFAOYSA-N	-1	2	368.371	0.044	10	0		FCAELM
O=C(C[N@@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1)NC(=O)NC1CCCCC1	ZINC000289546604	489075555	/nfs/dbraw/zinc/07/55/55/489075555.db2.gz	WZRCEFIABYVZRU-LLVKDONJSA-N	-1	2	350.423	0.436	10	0		FCAELM
CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])cc1	ZINC000540295867	490814437	/nfs/dbraw/zinc/81/44/37/490814437.db2.gz	SPDLVQHLYKUYDH-UHFFFAOYSA-N	-1	2	373.412	0.713	10	0		FCAELM
CC1(c2nc(=NC(=O)c3cc(S(N)(=O)=O)ccc3[O-])s[nH]2)CC1	ZINC000529702197	490865784	/nfs/dbraw/zinc/86/57/84/490865784.db2.gz	VLOMOCPPFNTCNV-UHFFFAOYSA-N	-1	2	354.413	0.617	10	0		FCAELM
COC(=O)c1c(C)oc(C)c1S(=O)(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000589225193	491757849	/nfs/dbraw/zinc/75/78/49/491757849.db2.gz	MIJGUFXQDITYCL-JOYOIKCWSA-N	-1	2	360.432	0.680	10	0		FCAELM
CC[C@@H](NC(=O)CCc1nn[nH]n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000631806029	492856627	/nfs/dbraw/zinc/85/66/27/492856627.db2.gz	ZNDMWDHCTOXLDT-CVEARBPZSA-N	-1	2	358.446	0.928	10	0		FCAELM
COc1cc(NS(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)nn1C	ZINC000548478187	547375378	/nfs/dbraw/zinc/37/53/78/547375378.db2.gz	PAHTWELNYJBOCV-UHFFFAOYSA-N	-1	2	367.383	1.277	10	0		FCAELM
Cc1ccnc(S(=O)(=O)[N-]C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)c1	ZINC000815949063	669931631	/nfs/dbraw/zinc/93/16/31/669931631.db2.gz	BQUQKBLHMMHLQE-JTQLQIEISA-N	-1	2	367.349	0.898	10	0		FCAELM
C[C@H]1C[N@@H+](C2CC2)CCN1C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F	ZINC001648855389	1169055286	/nfs/dbraw/zinc/05/52/86/1169055286.db2.gz	ZBNODJRPAMGUIO-NSHDSACASA-N	-1	2	373.425	0.938	10	0		FCAELM
CCOC(=O)c1n[nH]nc1[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](CC)CCO1	ZINC001637909426	1282638837	/nfs/dbraw/zinc/63/88/37/1282638837.db2.gz	GMJLLSATTNRQHV-RYUDHWBXSA-N	-1	2	351.407	0.366	10	0		FCAELM
O=C(Nn1c(=O)[n-][nH]c1=O)c1cnnn1-c1cc(Cl)ccc1Cl	ZINC001625344818	1290335706	/nfs/dbraw/zinc/33/57/06/1290335706.db2.gz	XXWPXRXTWMDJQS-UHFFFAOYSA-N	-1	2	356.129	0.961	10	0		FCAELM
CC1(C)Cc2ccc(C(=O)Nc3nnc(S(C)(=O)=O)[n-]3)c(O)c2O1	ZINC000436942259	490017288	/nfs/dbraw/zinc/01/72/88/490017288.db2.gz	UTKQOKYLTZSRAR-UHFFFAOYSA-N	-1	2	352.372	0.880	10	0		FCAELM
CC1(C)Cc2ccc(C(=O)Nc3n[n-]c(S(C)(=O)=O)n3)c(O)c2O1	ZINC000436942259	490017292	/nfs/dbraw/zinc/01/72/92/490017292.db2.gz	UTKQOKYLTZSRAR-UHFFFAOYSA-N	-1	2	352.372	0.880	10	0		FCAELM
CC1(C)Cc2ccc(C(=O)Nc3nc(S(C)(=O)=O)n[n-]3)c(O)c2O1	ZINC000436942259	490017297	/nfs/dbraw/zinc/01/72/97/490017297.db2.gz	UTKQOKYLTZSRAR-UHFFFAOYSA-N	-1	2	352.372	0.880	10	0		FCAELM
O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cnns1	ZINC000851704179	671462142	/nfs/dbraw/zinc/46/21/42/671462142.db2.gz	TVZGCKMSSWJXEM-VDTYLAMSSA-N	-1	2	352.294	0.274	10	0		FCAELM
CCOC(=O)c1n[nH]nc1[C@H]1CCCN1C(=O)[C@H]1C[N@H+](CC)CCO1	ZINC001637909427	1282640718	/nfs/dbraw/zinc/64/07/18/1282640718.db2.gz	GMJLLSATTNRQHV-VXGBXAGGSA-N	-1	2	351.407	0.366	10	0		FCAELM
C[C@@H]1CCN(C(=O)NCCCc2nc[nH]n2)C[C@@H]1NC(=O)C(F)(F)F	ZINC001252766742	857839493	/nfs/dbraw/zinc/83/94/93/857839493.db2.gz	RCXUXBIYMCLWDM-ZJUUUORDSA-N	-1	2	362.356	0.836	10	0		FCAELM
O=C(c1ccc(O)cc1)N1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1	ZINC000371694194	489498622	/nfs/dbraw/zinc/49/86/22/489498622.db2.gz	AWZDVBUGVVTGHM-UHFFFAOYSA-N	-1	2	373.453	0.932	10	0		FCAELM
C[N@@H+]1CCO[C@@H](CS(=O)(=O)NC[C@@H](n2cccn2)C(F)(F)F)C1	ZINC000632589723	493037790	/nfs/dbraw/zinc/03/77/90/493037790.db2.gz	WLZFLXVTMWVZLJ-GHMZBOCLSA-N	-1	2	356.370	0.237	10	0		FCAELM
COc1cccc([C@@H](CNS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)OC)c1	ZINC000632589681	493038642	/nfs/dbraw/zinc/03/86/42/493038642.db2.gz	VFNFETGSYGGKRO-JKSUJKDBSA-N	-1	2	358.460	0.633	10	0		FCAELM
O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cnns1	ZINC000851704176	671462114	/nfs/dbraw/zinc/46/21/14/671462114.db2.gz	TVZGCKMSSWJXEM-CAHLUQPWSA-N	-1	2	352.294	0.274	10	0		FCAELM
C[C@@H]1C(=O)N(NC(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)C(=O)N1C	ZINC001641849244	1282976208	/nfs/dbraw/zinc/97/62/08/1282976208.db2.gz	GLZXQYMDCDTLDG-SSDOTTSWSA-N	-1	2	358.351	0.125	10	0		FCAELM
O=C(NCc1ncc2c(n1)CCOC2)c1ccc(-n2[nH]c(=O)[nH]c2=O)cc1	ZINC001628541086	1290540760	/nfs/dbraw/zinc/54/07/60/1290540760.db2.gz	XJJVFWMZDYRQRA-UHFFFAOYSA-N	-1	2	368.353	0.059	10	0		FCAELM
C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1)c1ccccc1	ZINC000289503026	489072051	/nfs/dbraw/zinc/07/20/51/489072051.db2.gz	UJCYQHGVGPLDMT-HOTGVXAUSA-N	-1	2	372.473	0.697	10	0		FCAELM
CCn1cncc1S(=O)(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1	ZINC000547870852	490369410	/nfs/dbraw/zinc/36/94/10/490369410.db2.gz	RMJNIDWZWHLJEU-UHFFFAOYSA-N	-1	2	366.399	0.908	10	0		FCAELM
COC(=O)c1cc(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)c[nH]1	ZINC000509224878	490404909	/nfs/dbraw/zinc/40/49/09/490404909.db2.gz	JSEYSZRDLVNOOB-UHFFFAOYSA-N	-1	2	356.382	0.897	10	0		FCAELM
C[N@@H+]1CCO[C@H](CS(=O)(=O)N[C@@H]2CCN(c3ccccc3)C2=O)C1	ZINC000631935159	492891091	/nfs/dbraw/zinc/89/10/91/492891091.db2.gz	QIMJUTRPRRUGNZ-LSDHHAIUSA-N	-1	2	353.444	0.042	10	0		FCAELM
C[N@@H+]1CCO[C@@H](CS(=O)(=O)NC[C@]2(C)COc3ccccc3O2)C1	ZINC000632589783	493038626	/nfs/dbraw/zinc/03/86/26/493038626.db2.gz	XUYFFEBPDKCJLK-CZUORRHYSA-N	-1	2	356.444	0.467	10	0		FCAELM
CCn1c(=O)c2ccc(C(=O)NCCc3nc(=O)o[n-]3)cc2[nH]c1=S	ZINC000790078156	668871556	/nfs/dbraw/zinc/87/15/56/668871556.db2.gz	CNLPERBYGUIYIJ-UHFFFAOYSA-N	-1	2	361.383	0.354	10	0		FCAELM
CNC(=O)c1cc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2OC)cn1C	ZINC000327736205	488920541	/nfs/dbraw/zinc/92/05/41/488920541.db2.gz	MVWWCXDSMXHHKS-UHFFFAOYSA-N	-1	2	367.383	0.892	10	0		FCAELM
O=P([O-])(O)C(O)(C[n+]1ccc(-c2ccccc2)cc1)[P@@](=O)([O-])O	ZINC000035049969	487796030	/nfs/dbraw/zinc/79/60/30/487796030.db2.gz	DSUBNMMOGRUPHP-UHFFFAOYSA-O	-1	2	360.219	0.643	10	0		FCAELM
O=P([O-])(O)C(O)(C[n+]1ccc(-c2ccccc2)cc1)[P@](=O)([O-])O	ZINC000035049969	487796032	/nfs/dbraw/zinc/79/60/32/487796032.db2.gz	DSUBNMMOGRUPHP-UHFFFAOYSA-O	-1	2	360.219	0.643	10	0		FCAELM
O=C([O-])[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3cnoc3)cc2)C1	ZINC000623946451	492608614	/nfs/dbraw/zinc/60/86/14/492608614.db2.gz	HGYUWBUYYLDSBA-SECBINFHSA-N	-1	2	351.340	0.913	10	0		FCAELM
COc1cccc([C@H](CNS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)OC)c1	ZINC000632589678	493038412	/nfs/dbraw/zinc/03/84/12/493038412.db2.gz	VFNFETGSYGGKRO-CVEARBPZSA-N	-1	2	358.460	0.633	10	0		FCAELM
O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000842759280	1222852795	/nfs/dbraw/zinc/85/27/95/1222852795.db2.gz	UEUDWMHLKZDESQ-ZDUSSCGKSA-N	-1	2	369.381	0.664	10	0		FCAELM
COc1cc2[nH]cc(C(=O)NC3(c4nn[n-]n4)CCC3)c(=O)c2c(OC)c1	ZINC001558173878	1269045112	/nfs/dbraw/zinc/04/51/12/1269045112.db2.gz	YAFVVBYROAXARB-UHFFFAOYSA-N	-1	2	370.369	0.868	10	0		FCAELM
O=C(Nn1c(=O)[n-][nH]c1=O)c1cnnn1-c1ccccc1Br	ZINC001636795391	1282538909	/nfs/dbraw/zinc/53/89/09/1282538909.db2.gz	ZGOBFYNFNZTYTK-UHFFFAOYSA-N	-1	2	366.135	0.416	10	0		FCAELM
CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)NCC(=O)[N-]OC	ZINC001685556808	1292557899	/nfs/dbraw/zinc/55/78/99/1292557899.db2.gz	SGWVJDIKUGHBPV-UHFFFAOYSA-N	-1	2	353.404	0.996	10	0		FCAELM
O=C([O-])[C@@]12C[N@@H+](CC3=Nc4ccccc4S(=O)(=O)N3)C[C@H]1COCC2	ZINC001332675967	873612689	/nfs/dbraw/zinc/61/26/89/873612689.db2.gz	MFXRVYVNUKTJDJ-ZBEGNZNMSA-N	-1	2	365.411	0.432	10	0		FCAELM
O=C([O-])[C@@]12C[N@H+](CC3=Nc4ccccc4S(=O)(=O)[N-]3)C[C@H]1COCC2	ZINC001332675967	873612694	/nfs/dbraw/zinc/61/26/94/873612694.db2.gz	MFXRVYVNUKTJDJ-ZBEGNZNMSA-N	-1	2	365.411	0.432	10	0		FCAELM
O=C([O-])[C@@]12C[N@@H+](CC3=Nc4ccccc4S(=O)(=O)[N-]3)C[C@H]1COCC2	ZINC001332675967	873612701	/nfs/dbraw/zinc/61/27/01/873612701.db2.gz	MFXRVYVNUKTJDJ-ZBEGNZNMSA-N	-1	2	365.411	0.432	10	0		FCAELM
O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)COCC(F)F	ZINC000902067760	675825410	/nfs/dbraw/zinc/82/54/10/675825410.db2.gz	XJGHEHNVHCGQGN-HZGVNTEJSA-N	-1	2	362.251	0.391	10	0		FCAELM
O=P([O-])(O)C(O)(CC[N@@H+]1CC[C@@H](c2ccccc2)C1)P(=O)([O-])O	ZINC000027194837	487690974	/nfs/dbraw/zinc/69/09/74/487690974.db2.gz	YOXLICBFUZYKFK-GFCCVEGCSA-N	-1	2	365.259	0.868	10	0		FCAELM
O=P([O-])(O)C(O)(CC[N@H+]1CC[C@@H](c2ccccc2)C1)P(=O)([O-])O	ZINC000027194837	487690977	/nfs/dbraw/zinc/69/09/77/487690977.db2.gz	YOXLICBFUZYKFK-GFCCVEGCSA-N	-1	2	365.259	0.868	10	0		FCAELM
O=P([O-])(O)C(O)(CC[NH+]1CC[C@@H](c2ccccc2)C1)[P@@](=O)([O-])O	ZINC000027194837	487690981	/nfs/dbraw/zinc/69/09/81/487690981.db2.gz	YOXLICBFUZYKFK-GFCCVEGCSA-N	-1	2	365.259	0.868	10	0		FCAELM
O=P([O-])(O)C(O)(CC[NH+]1CC[C@@H](c2ccccc2)C1)[P@](=O)([O-])O	ZINC000027194837	487690984	/nfs/dbraw/zinc/69/09/84/487690984.db2.gz	YOXLICBFUZYKFK-GFCCVEGCSA-N	-1	2	365.259	0.868	10	0		FCAELM
Cc1cc(N2CCC[C@@H](NC(=O)c3cccc4[nH]nnc43)C2=O)n(C)n1	ZINC000188223251	488411464	/nfs/dbraw/zinc/41/14/64/488411464.db2.gz	GPYZOCOHDGZZKX-CYBMUJFWSA-N	-1	2	353.386	0.925	10	0		FCAELM
CC[C@@H](NC(=O)C(=O)N=c1nc(-c2cccc(OC)c2)[nH]s1)C(=O)[O-]	ZINC000577214615	491602981	/nfs/dbraw/zinc/60/29/81/491602981.db2.gz	QCHHWEQXSCKBKN-SNVBAGLBSA-N	-1	2	364.383	0.554	10	0		FCAELM
O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)c1ccoc1	ZINC000849232504	671323692	/nfs/dbraw/zinc/32/36/92/671323692.db2.gz	NYEFIJFKDQETAT-IUCAKERBSA-N	-1	2	370.305	0.564	10	0		FCAELM
O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ncccc1O	ZINC000852958515	671534072	/nfs/dbraw/zinc/53/40/72/671534072.db2.gz	MPMVJIZVGCVXAN-OIBJUYFYSA-N	-1	2	361.276	0.524	10	0		FCAELM
C=CC(=O)Nc1ccc(O)c(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)c1	ZINC001585225787	1282216076	/nfs/dbraw/zinc/21/60/76/1282216076.db2.gz	ZUCKMTOIGZVBTE-UHFFFAOYSA-N	-1	2	361.398	0.695	10	0		FCAELM