smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NC1CCCCCC1 ZINC000011842405 204357603 /nfs/dbraw/zinc/35/76/03/204357603.db2.gz PTUYWAAUBYDLGI-IBGZPJMESA-N 1 2 387.524 2.615 10 0 GFAELO CCOc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1CC(=O)NC1CCCCCC1 ZINC000011842405 204357606 /nfs/dbraw/zinc/35/76/06/204357606.db2.gz PTUYWAAUBYDLGI-IBGZPJMESA-N 1 2 387.524 2.615 10 0 GFAELO CNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000036311029 205011853 /nfs/dbraw/zinc/01/18/53/205011853.db2.gz YWWLWKNOSQZPNG-QGZVFWFLSA-N 1 2 378.904 2.794 10 0 GFAELO COc1ccccc1Cn1c(C(=O)NCC[NH+]2CCOCC2)cc2sccc21 ZINC000037541846 205028723 /nfs/dbraw/zinc/02/87/23/205028723.db2.gz USQHRQPGWUXXLO-UHFFFAOYSA-N 1 2 399.516 2.822 10 0 GFAELO O=C(CCc1c(-c2ccc(F)cc2)nc2ccccn21)NCC[NH+]1CCOCC1 ZINC000065061094 205208512 /nfs/dbraw/zinc/20/85/12/205208512.db2.gz HMXHXJCBOAUSSX-UHFFFAOYSA-N 1 2 396.466 2.521 10 0 GFAELO O=C(C1CC1)N1CCc2[nH]c[nH+]c2C12CCN(c1ncnc3sccc31)CC2 ZINC000091872207 136177308 /nfs/dbraw/zinc/17/73/08/136177308.db2.gz NSJYFDVVPPFEQE-UHFFFAOYSA-N 1 2 394.504 2.705 10 0 GFAELO C[NH+](C)CCn1cc[nH+]c1C1CCN(c2ncc(C(=O)[O-])cc2Cl)CC1 ZINC000095505335 136180211 /nfs/dbraw/zinc/18/02/11/136180211.db2.gz ZSQNSONQSDZQGV-UHFFFAOYSA-N 1 2 377.876 2.575 10 0 GFAELO Cc1cnn(C[C@@H]2CN(Cc3c[nH+]c4ccc(Br)cn34)CCO2)c1 ZINC000122359596 551297259 /nfs/dbraw/zinc/29/72/59/551297259.db2.gz AQXQXXCGBQHWKS-INIZCTEOSA-N 1 2 390.285 2.503 10 0 GFAELO CCOc1cc(C[N@@H+]2CCC[C@@H](NC(C)=O)C2)cc(Br)c1OC ZINC000153886405 551462608 /nfs/dbraw/zinc/46/26/08/551462608.db2.gz NPKQOHQRGOYGQS-CQSZACIVSA-N 1 2 385.302 2.957 10 0 GFAELO CCOc1cc(C[N@H+]2CCC[C@@H](NC(C)=O)C2)cc(Br)c1OC ZINC000153886405 551462609 /nfs/dbraw/zinc/46/26/09/551462609.db2.gz NPKQOHQRGOYGQS-CQSZACIVSA-N 1 2 385.302 2.957 10 0 GFAELO COc1cc(Cl)c(S(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1Cl ZINC000170939855 551643542 /nfs/dbraw/zinc/64/35/42/551643542.db2.gz AUSBXTGLZRXGPB-LLVKDONJSA-N 1 2 379.309 2.861 10 0 GFAELO COc1cc(Cl)c(S(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1Cl ZINC000170939855 551643546 /nfs/dbraw/zinc/64/35/46/551643546.db2.gz AUSBXTGLZRXGPB-LLVKDONJSA-N 1 2 379.309 2.861 10 0 GFAELO C[N@@H+]1CCO[C@@H](CNC(=O)C2(c3cccc(Br)c3)CCCC2)C1 ZINC000171143916 551648246 /nfs/dbraw/zinc/64/82/46/551648246.db2.gz UIRJKAZKYLQFOR-INIZCTEOSA-N 1 2 381.314 2.708 10 0 GFAELO C[N@H+]1CCO[C@@H](CNC(=O)C2(c3cccc(Br)c3)CCCC2)C1 ZINC000171143916 551648248 /nfs/dbraw/zinc/64/82/48/551648248.db2.gz UIRJKAZKYLQFOR-INIZCTEOSA-N 1 2 381.314 2.708 10 0 GFAELO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)c1cc(N)nc(Cl)c1 ZINC000176538299 552141062 /nfs/dbraw/zinc/14/10/62/552141062.db2.gz GYVBEOSYDRCVEJ-ZDUSSCGKSA-N 1 2 380.901 2.524 10 0 GFAELO O=C(NCC[NH+]1CCOCC1)[C@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000184780760 552344028 /nfs/dbraw/zinc/34/40/28/552344028.db2.gz KYUJWCFPQHAUNK-RDJZCZTQSA-N 1 2 387.307 2.910 10 0 GFAELO C[C@@H](CN(C)C(=O)NC[C@H]1C[N@H+](C)CCO1)Oc1ccc(Cl)c(Cl)c1 ZINC000189366146 552469847 /nfs/dbraw/zinc/46/98/47/552469847.db2.gz RZMWRBWCBRUNEX-JSGCOSHPSA-N 1 2 390.311 2.733 10 0 GFAELO C[C@@H](CN(C)C(=O)NC[C@H]1C[N@@H+](C)CCO1)Oc1ccc(Cl)c(Cl)c1 ZINC000189366146 552469849 /nfs/dbraw/zinc/46/98/49/552469849.db2.gz RZMWRBWCBRUNEX-JSGCOSHPSA-N 1 2 390.311 2.733 10 0 GFAELO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c(Br)c1 ZINC000190754371 552508078 /nfs/dbraw/zinc/50/80/78/552508078.db2.gz MKXFMBSBCNTUMY-CYBMUJFWSA-N 1 2 391.269 2.584 10 0 GFAELO O=C(Nc1ccc(OCc2ccccc2)c(Br)c1)[C@@H]1COCC[NH2+]1 ZINC000236601406 553069734 /nfs/dbraw/zinc/06/97/34/553069734.db2.gz FFDUCWBQZGURGE-INIZCTEOSA-N 1 2 391.265 2.955 10 0 GFAELO OC[C@@H]1CCCN1c1cc(NCc2cc(F)ccc2Br)[nH+]cn1 ZINC000301235300 563397218 /nfs/dbraw/zinc/39/72/18/563397218.db2.gz JWSWZDMZUUHUBO-ZDUSSCGKSA-N 1 2 381.249 2.951 10 0 GFAELO OC[C@@H]1CCCN1c1cc(NCc2cc(F)ccc2Br)nc[nH+]1 ZINC000301235300 563397220 /nfs/dbraw/zinc/39/72/20/563397220.db2.gz JWSWZDMZUUHUBO-ZDUSSCGKSA-N 1 2 381.249 2.951 10 0 GFAELO C[C@H](CNC(=O)CCSc1ccccc1Br)[NH+]1CCOCC1 ZINC000046745404 654684534 /nfs/dbraw/zinc/68/45/34/654684534.db2.gz VQNUOMCWFSIGEO-CYBMUJFWSA-N 1 2 387.343 2.768 10 0 GFAELO Brc1ccc2c(c1)C=C(C[N@@H+]1CCO[C@@H](Cn3cccn3)C1)CO2 ZINC000122285257 654732228 /nfs/dbraw/zinc/73/22/28/654732228.db2.gz IVZLLWBLJVZPME-QGZVFWFLSA-N 1 2 390.281 2.822 10 0 GFAELO Brc1ccc2c(c1)C=C(C[N@H+]1CCO[C@@H](Cn3cccn3)C1)CO2 ZINC000122285257 654732233 /nfs/dbraw/zinc/73/22/33/654732233.db2.gz IVZLLWBLJVZPME-QGZVFWFLSA-N 1 2 390.281 2.822 10 0 GFAELO O=C(NCc1ccc(O)c(Br)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000126260464 654811906 /nfs/dbraw/zinc/81/19/06/654811906.db2.gz BPTFFPUOZMDDHD-CYBMUJFWSA-N 1 2 379.258 2.725 10 0 GFAELO CC[C@@H](Cc1ccccc1Br)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000134284009 654989231 /nfs/dbraw/zinc/98/92/31/654989231.db2.gz UTMYAYRPYSYBNJ-DOTOQJQBSA-N 1 2 395.341 2.951 10 0 GFAELO Cc1ncc(CN2CC[NH+](C[C@@H](O)COc3ccc(Cl)cc3)CC2)s1 ZINC000106090409 655102415 /nfs/dbraw/zinc/10/24/15/655102415.db2.gz AWPRUONDYXNWPH-MRXNPFEDSA-N 1 2 381.929 2.662 10 0 GFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)CCc2ccc(Cl)s2)nc[nH+]1 ZINC000173421819 655171250 /nfs/dbraw/zinc/17/12/50/655171250.db2.gz PZJNNVLQEVZRBC-GFCCVEGCSA-N 1 2 379.917 2.951 10 0 GFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)CCc2ccc(Cl)s2)[nH+]cn1 ZINC000173421819 655171254 /nfs/dbraw/zinc/17/12/54/655171254.db2.gz PZJNNVLQEVZRBC-GFCCVEGCSA-N 1 2 379.917 2.951 10 0 GFAELO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccccc1Br ZINC000173766298 655180642 /nfs/dbraw/zinc/18/06/42/655180642.db2.gz FUYYJLSNYKTJDX-KBPBESRZSA-N 1 2 382.302 2.626 10 0 GFAELO C[N@@H+]1CCO[C@H](CNCc2csc(-c3cccc(Br)c3)n2)C1 ZINC000113336799 655207996 /nfs/dbraw/zinc/20/79/96/655207996.db2.gz SUGIIDYOVUQGCU-OAHLLOKOSA-N 1 2 382.327 2.993 10 0 GFAELO C[N@H+]1CCO[C@H](CNCc2csc(-c3cccc(Br)c3)n2)C1 ZINC000113336799 655207998 /nfs/dbraw/zinc/20/79/98/655207998.db2.gz SUGIIDYOVUQGCU-OAHLLOKOSA-N 1 2 382.327 2.993 10 0 GFAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCc3sccc3[C@@H]2c2cccs2)C1 ZINC000114959355 655231196 /nfs/dbraw/zinc/23/11/96/655231196.db2.gz VIYUYURPCFPFMG-CXAGYDPISA-N 1 2 377.535 2.797 10 0 GFAELO C[N@H+]1CCO[C@H](CNC(=O)N2CCc3sccc3[C@@H]2c2cccs2)C1 ZINC000114959355 655231197 /nfs/dbraw/zinc/23/11/97/655231197.db2.gz VIYUYURPCFPFMG-CXAGYDPISA-N 1 2 377.535 2.797 10 0 GFAELO CC(C)CCNC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000036254561 205009400 /nfs/dbraw/zinc/00/94/00/205009400.db2.gz MCZZRWAUUHURNN-IBGZPJMESA-N 1 2 375.513 2.759 10 0 GFAELO CN(C)[C@H]1CC[N@H+](Cc2ccc(C(=O)Nc3ccc4c(cnn4C)c3)cc2)C1 ZINC000065457082 222129762 /nfs/dbraw/zinc/12/97/62/222129762.db2.gz UUFJWNMWUYMRPO-FQEVSTJZSA-N 1 2 377.492 2.962 10 0 GFAELO CN(C)[C@H]1CC[N@@H+](Cc2ccc(C(=O)Nc3ccc4c(cnn4C)c3)cc2)C1 ZINC000065457082 222129764 /nfs/dbraw/zinc/12/97/64/222129764.db2.gz UUFJWNMWUYMRPO-FQEVSTJZSA-N 1 2 377.492 2.962 10 0 GFAELO Brc1ccc(-c2c[nH]c(C[N@@H+]3CC[C@H](N4CCOCC4)C3)n2)cc1 ZINC000121037164 551225919 /nfs/dbraw/zinc/22/59/19/551225919.db2.gz MASWODCMSLFEOB-INIZCTEOSA-N 1 2 391.313 2.746 10 0 GFAELO Brc1ccc(-c2c[nH]c(C[N@H+]3CC[C@H](N4CCOCC4)C3)n2)cc1 ZINC000121037164 551225920 /nfs/dbraw/zinc/22/59/20/551225920.db2.gz MASWODCMSLFEOB-INIZCTEOSA-N 1 2 391.313 2.746 10 0 GFAELO Brc1ccc(-c2c[nH]c(CN3CC[C@H]([NH+]4CCOCC4)C3)n2)cc1 ZINC000121037164 551225921 /nfs/dbraw/zinc/22/59/21/551225921.db2.gz MASWODCMSLFEOB-INIZCTEOSA-N 1 2 391.313 2.746 10 0 GFAELO Brc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](n4cncn4)C3)n2)s1 ZINC000172247865 551674415 /nfs/dbraw/zinc/67/44/15/551674415.db2.gz NPIHQCSSKYTSOI-SNVBAGLBSA-N 1 2 395.286 2.989 10 0 GFAELO Brc1ccc(-c2noc(C[N@H+]3CCC[C@@H](n4cncn4)C3)n2)s1 ZINC000172247865 551674417 /nfs/dbraw/zinc/67/44/17/551674417.db2.gz NPIHQCSSKYTSOI-SNVBAGLBSA-N 1 2 395.286 2.989 10 0 GFAELO C[C@H]1CN(C(=O)CSc2nc3ccccc3s2)C[C@@H]1[NH+]1CCOCC1 ZINC000173967940 552096504 /nfs/dbraw/zinc/09/65/04/552096504.db2.gz WUABVHGAYPCCGT-ZFWWWQNUSA-N 1 2 377.535 2.568 10 0 GFAELO O=C(c1occc1Br)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000176008922 552134312 /nfs/dbraw/zinc/13/43/12/552134312.db2.gz CGCNYIYPGQVKFD-OAHLLOKOSA-N 1 2 379.254 2.534 10 0 GFAELO Cc1csc(CNC(=O)N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1 ZINC000178486743 552171470 /nfs/dbraw/zinc/17/14/70/552171470.db2.gz CDOFKIZSYFAFPF-AWEZNQCLSA-N 1 2 380.539 2.728 10 0 GFAELO O=C(Nc1ccc(Cl)c(OC(F)F)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000180146846 552214818 /nfs/dbraw/zinc/21/48/18/552214818.db2.gz FFTPNOWXSMQGJC-GFCCVEGCSA-N 1 2 375.803 2.880 10 0 GFAELO CC[C@H]1CN(S(=O)(=O)c2ccc(SC)c(Cl)c2)CC[N@@H+]1C[C@@H](C)O ZINC000185792748 552370672 /nfs/dbraw/zinc/37/06/72/552370672.db2.gz XTBBPUNSINUFDS-OLZOCXBDSA-N 1 2 392.974 2.528 10 0 GFAELO CC[C@H]1CN(S(=O)(=O)c2ccc(SC)c(Cl)c2)CC[N@H+]1C[C@@H](C)O ZINC000185792748 552370673 /nfs/dbraw/zinc/37/06/73/552370673.db2.gz XTBBPUNSINUFDS-OLZOCXBDSA-N 1 2 392.974 2.528 10 0 GFAELO C[N@@H+]1CCO[C@H](CNC(=O)C(C)(C)COc2cc(Cl)cc(Cl)c2)C1 ZINC000190746495 552507470 /nfs/dbraw/zinc/50/74/70/552507470.db2.gz MJRPBYCBVVEVOK-OAHLLOKOSA-N 1 2 375.296 2.845 10 0 GFAELO C[N@H+]1CCO[C@H](CNC(=O)C(C)(C)COc2cc(Cl)cc(Cl)c2)C1 ZINC000190746495 552507473 /nfs/dbraw/zinc/50/74/73/552507473.db2.gz MJRPBYCBVVEVOK-OAHLLOKOSA-N 1 2 375.296 2.845 10 0 GFAELO C[C@H]1CN(C(=O)C2(c3ccccc3Br)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000191917064 552542870 /nfs/dbraw/zinc/54/28/70/552542870.db2.gz CAMGYCIVJRVLGE-WMLDXEAASA-N 1 2 393.325 2.660 10 0 GFAELO CCc1nnc(C[N@H+](CCC(=O)OC)Cc2cccc(Br)c2)n1C ZINC000192328757 552560232 /nfs/dbraw/zinc/56/02/32/552560232.db2.gz JSCZGCDHDKSYMB-UHFFFAOYSA-N 1 2 395.301 2.705 10 0 GFAELO CCc1nnc(C[N@@H+](CCC(=O)OC)Cc2cccc(Br)c2)n1C ZINC000192328757 552560235 /nfs/dbraw/zinc/56/02/35/552560235.db2.gz JSCZGCDHDKSYMB-UHFFFAOYSA-N 1 2 395.301 2.705 10 0 GFAELO Cc1cnc(CNC(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)s1 ZINC000248368377 553128902 /nfs/dbraw/zinc/12/89/02/553128902.db2.gz VDEDOSHILXWRPW-JSGCOSHPSA-N 1 2 380.539 2.774 10 0 GFAELO Cc1cnc(CNC(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)s1 ZINC000248368377 553128905 /nfs/dbraw/zinc/12/89/05/553128905.db2.gz VDEDOSHILXWRPW-JSGCOSHPSA-N 1 2 380.539 2.774 10 0 GFAELO CC[C@@H]1CN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC[N@@H+]1C[C@H](C)O ZINC000249557782 553144212 /nfs/dbraw/zinc/14/42/12/553144212.db2.gz KLHLYJLLYQGVBH-NWDGAFQWSA-N 1 2 382.917 2.709 10 0 GFAELO CC[C@@H]1CN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC[N@H+]1C[C@H](C)O ZINC000249557782 553144213 /nfs/dbraw/zinc/14/42/13/553144213.db2.gz KLHLYJLLYQGVBH-NWDGAFQWSA-N 1 2 382.917 2.709 10 0 GFAELO OC[C@@H]1CCCN1c1cc(NC[C@@H](O)c2c(Cl)cccc2Cl)[nH+]cn1 ZINC000301339350 563400686 /nfs/dbraw/zinc/40/06/86/563400686.db2.gz HOMOSBKNEFQNGL-SMDDNHRTSA-N 1 2 383.279 2.890 10 0 GFAELO OC[C@@H]1CCCN1c1cc(NC[C@@H](O)c2c(Cl)cccc2Cl)nc[nH+]1 ZINC000301339350 563400689 /nfs/dbraw/zinc/40/06/89/563400689.db2.gz HOMOSBKNEFQNGL-SMDDNHRTSA-N 1 2 383.279 2.890 10 0 GFAELO CCOC(=O)N1CCC[C@H]([C@@H](C)Nc2nc(NC)c(Br)c[nH+]2)C1 ZINC000302538164 563426309 /nfs/dbraw/zinc/42/63/09/563426309.db2.gz NCLPKPTVCHYOFY-MNOVXSKESA-N 1 2 386.294 2.950 10 0 GFAELO CNc1c(N)c[nH+]c2c(Br)cc(I)cc12 ZINC000584882327 565103253 /nfs/dbraw/zinc/10/32/53/565103253.db2.gz CKLYKDGKXASOLV-UHFFFAOYSA-N 1 2 378.011 2.648 10 0 GFAELO CC[C@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)Cc1cccc(Br)c1 ZINC000132171777 654927619 /nfs/dbraw/zinc/92/76/19/654927619.db2.gz FNAHBAXNILXGPB-YOEHRIQHSA-N 1 2 398.345 2.648 10 0 GFAELO CC[C@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)Cc1cccc(Br)c1 ZINC000132171777 654927620 /nfs/dbraw/zinc/92/76/20/654927620.db2.gz FNAHBAXNILXGPB-YOEHRIQHSA-N 1 2 398.345 2.648 10 0 GFAELO C[C@H]1C[NH+](CCCNc2ccccc2S(=O)(=O)C(F)(F)F)C[C@H](C)O1 ZINC000106087842 655102055 /nfs/dbraw/zinc/10/20/55/655102055.db2.gz HUPHFIIUJUUOBF-STQMWFEESA-N 1 2 380.432 2.891 10 0 GFAELO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106173345 655104451 /nfs/dbraw/zinc/10/44/51/655104451.db2.gz TUXWWLSTAVUIIV-KGLIPLIRSA-N 1 2 392.301 2.780 10 0 GFAELO C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106173345 655104453 /nfs/dbraw/zinc/10/44/53/655104453.db2.gz TUXWWLSTAVUIIV-KGLIPLIRSA-N 1 2 392.301 2.780 10 0 GFAELO Brc1cccc(-c2noc(C[N@@H+]3CCC[C@H](n4cncn4)C3)n2)c1 ZINC000106218999 655105031 /nfs/dbraw/zinc/10/50/31/655105031.db2.gz DMSBGPDNTRPDFV-AWEZNQCLSA-N 1 2 389.257 2.928 10 0 GFAELO Brc1cccc(-c2noc(C[N@H+]3CCC[C@H](n4cncn4)C3)n2)c1 ZINC000106218999 655105033 /nfs/dbraw/zinc/10/50/33/655105033.db2.gz DMSBGPDNTRPDFV-AWEZNQCLSA-N 1 2 389.257 2.928 10 0 GFAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cccc(Br)c2)nc[nH+]1 ZINC000173407888 655170495 /nfs/dbraw/zinc/17/04/95/655170495.db2.gz YVBYHGLRXWHKBU-AWEZNQCLSA-N 1 2 390.285 2.680 10 0 GFAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cccc(Br)c2)[nH+]cn1 ZINC000173407888 655170496 /nfs/dbraw/zinc/17/04/96/655170496.db2.gz YVBYHGLRXWHKBU-AWEZNQCLSA-N 1 2 390.285 2.680 10 0 GFAELO O=C(Nc1c(F)cc(Br)cc1F)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173905877 655184708 /nfs/dbraw/zinc/18/47/08/655184708.db2.gz LEKMNAKLTMVFED-LLVKDONJSA-N 1 2 390.228 2.666 10 0 GFAELO O=C(N[C@H]1CCc2c1cccc2Br)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173908019 655184861 /nfs/dbraw/zinc/18/48/61/655184861.db2.gz XJCKUEMSTWWBQH-GUYCJALGSA-N 1 2 394.313 2.553 10 0 GFAELO C[N@@H+]1CCO[C@@H](CNCc2csc(-c3cccc(Br)c3)n2)C1 ZINC000113336801 655208277 /nfs/dbraw/zinc/20/82/77/655208277.db2.gz SUGIIDYOVUQGCU-HNNXBMFYSA-N 1 2 382.327 2.993 10 0 GFAELO C[N@H+]1CCO[C@@H](CNCc2csc(-c3cccc(Br)c3)n2)C1 ZINC000113336801 655208278 /nfs/dbraw/zinc/20/82/78/655208278.db2.gz SUGIIDYOVUQGCU-HNNXBMFYSA-N 1 2 382.327 2.993 10 0 GFAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)C[C@H]1C ZINC000117521437 655265419 /nfs/dbraw/zinc/26/54/19/655265419.db2.gz XVCXGYSMJTVXTA-GFCCVEGCSA-N 1 2 388.295 2.501 10 0 GFAELO CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)C[C@H]1C ZINC000117521437 655265423 /nfs/dbraw/zinc/26/54/23/655265423.db2.gz XVCXGYSMJTVXTA-GFCCVEGCSA-N 1 2 388.295 2.501 10 0 GFAELO COc1cc(Br)c(CN2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cc1OC ZINC000177270938 655272092 /nfs/dbraw/zinc/27/20/92/655272092.db2.gz ZLKJHFHBKHFLRS-BBRMVZONSA-N 1 2 399.329 2.619 10 0 GFAELO CCOC(=O)c1n[nH]cc1[C@@H]1C[C@H]2CN(c3ccccc3)C(=O)[C@]23CCC[N@H+]13 ZINC000011817358 204354162 /nfs/dbraw/zinc/35/41/62/204354162.db2.gz GTKPTEVFKQYKPT-LFRPXUGBSA-N 1 2 380.448 2.529 10 0 GFAELO CCOC(=O)c1n[nH]cc1[C@@H]1C[C@H]2CN(c3ccccc3)C(=O)[C@]23CCC[N@@H+]13 ZINC000011817358 204354164 /nfs/dbraw/zinc/35/41/64/204354164.db2.gz GTKPTEVFKQYKPT-LFRPXUGBSA-N 1 2 380.448 2.529 10 0 GFAELO C[C@H]1C[N@H+](Cc2cccc(-c3nc(-c4ccncc4)cc(=O)[nH]3)c2)CCN1C ZINC000067788041 205260105 /nfs/dbraw/zinc/26/01/05/205260105.db2.gz NOSXFTOEBNSTCA-INIZCTEOSA-N 1 2 375.476 2.635 10 0 GFAELO C[C@H]1C[N@@H+](Cc2cccc(-c3nc(-c4ccncc4)cc(=O)[nH]3)c2)CCN1C ZINC000067788041 205260108 /nfs/dbraw/zinc/26/01/08/205260108.db2.gz NOSXFTOEBNSTCA-INIZCTEOSA-N 1 2 375.476 2.635 10 0 GFAELO COc1ccc(/C=C/C(=O)Nc2c[nH+]c(N3CCCC3)nc2N(C)C)cc1OC ZINC000224353421 206019799 /nfs/dbraw/zinc/01/97/99/206019799.db2.gz UUFYJMIVOFFPBD-CSKARUKUSA-N 1 2 397.479 2.812 10 0 GFAELO Cc1ncnc(N2CCC3(CCC(=O)N(CCCn4cc[nH+]c4)C3)CC2)c1C ZINC000091474228 136176506 /nfs/dbraw/zinc/17/65/06/136176506.db2.gz MGWIFGZAANATHT-UHFFFAOYSA-N 1 2 382.512 2.589 10 0 GFAELO CCn1c(C)[nH+]c2c1CN(CC(=O)NCCCN1CCCc3ccccc31)CC2 ZINC000065293072 535971533 /nfs/dbraw/zinc/97/15/33/535971533.db2.gz WQARVOHGDLDTCG-UHFFFAOYSA-N 1 2 395.551 2.529 10 0 GFAELO Cc1noc([C@H](C)N2CC[NH+](C[C@H](O)c3ccccc3Br)CC2)n1 ZINC000152946390 551443062 /nfs/dbraw/zinc/44/30/62/551443062.db2.gz RFUWUWBKNSOGMU-LRDDRELGSA-N 1 2 395.301 2.553 10 0 GFAELO CCOc1cc(Br)ccc1NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000154973225 551487644 /nfs/dbraw/zinc/48/76/44/551487644.db2.gz FUUJTUCTOMMFTG-AWEZNQCLSA-N 1 2 398.301 2.786 10 0 GFAELO COc1cc[nH+]cc1NC(=O)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000155370038 551498619 /nfs/dbraw/zinc/49/86/19/551498619.db2.gz CGXJXNRYFFAYSV-SNVBAGLBSA-N 1 2 378.226 2.669 10 0 GFAELO CCN(C(C)=O)c1nc(CN2CC[NH+](Cc3cnc(C)s3)CC2)cs1 ZINC000170941661 551643455 /nfs/dbraw/zinc/64/34/55/551643455.db2.gz BXGTWNJQMPFFER-UHFFFAOYSA-N 1 2 379.555 2.599 10 0 GFAELO O=C(CCSc1ccccc1Br)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172767367 551686544 /nfs/dbraw/zinc/68/65/44/551686544.db2.gz JXYIXXQQBQCFHE-CQSZACIVSA-N 1 2 399.354 2.864 10 0 GFAELO C[C@@H]1CN(C(=O)c2cc3ccc(Br)cc3[nH]2)C[C@H]1[NH+]1CCOCC1 ZINC000173398804 552084911 /nfs/dbraw/zinc/08/49/11/552084911.db2.gz VSZAKLIHFXLJPJ-SJKOYZFVSA-N 1 2 392.297 2.723 10 0 GFAELO C[C@@H]1CN(C(=O)c2cc(Br)ccc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000173823420 552092337 /nfs/dbraw/zinc/09/23/37/552092337.db2.gz ACGIKIKDBJCNJH-ABAIWWIYSA-N 1 2 387.705 2.895 10 0 GFAELO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CC(=O)NC1CC1)c1c(Cl)ccc(F)c1Cl ZINC000173976443 552096319 /nfs/dbraw/zinc/09/63/19/552096319.db2.gz SKTVOZMMZLGZFL-ZJUUUORDSA-N 1 2 390.286 2.909 10 0 GFAELO CC[C@@H]1CN(C(=O)NC[C@H](c2ccc(C)s2)[NH+]2CCOCC2)CCS1 ZINC000175006689 552113721 /nfs/dbraw/zinc/11/37/21/552113721.db2.gz QWZJHQJNMHVWQV-HZPDHXFCSA-N 1 2 383.583 2.967 10 0 GFAELO O[C@@H](COc1cccc(Br)c1)C[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000193692749 553000277 /nfs/dbraw/zinc/00/02/77/553000277.db2.gz VSEUFGPQDKDPEC-DZGCQCFKSA-N 1 2 380.286 2.792 10 0 GFAELO O[C@@H](COc1cccc(Br)c1)C[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000193692749 553000279 /nfs/dbraw/zinc/00/02/79/553000279.db2.gz VSEUFGPQDKDPEC-DZGCQCFKSA-N 1 2 380.286 2.792 10 0 GFAELO C[C@H]1C[N@@H+]([C@H](CNC(=O)CSCC(F)(F)F)c2cccs2)CCO1 ZINC000245586725 553093568 /nfs/dbraw/zinc/09/35/68/553093568.db2.gz MOSQLVITBZYYMB-NWDGAFQWSA-N 1 2 382.473 2.922 10 0 GFAELO C[C@H]1C[N@H+]([C@H](CNC(=O)CSCC(F)(F)F)c2cccs2)CCO1 ZINC000245586725 553093571 /nfs/dbraw/zinc/09/35/71/553093571.db2.gz MOSQLVITBZYYMB-NWDGAFQWSA-N 1 2 382.473 2.922 10 0 GFAELO COc1ccc(CN2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c(Br)c1OC ZINC000246503365 553108860 /nfs/dbraw/zinc/10/88/60/553108860.db2.gz QCCWBJXHWBCHOQ-UKRRQHHQSA-N 1 2 399.329 2.619 10 0 GFAELO CC[N@H+](CC(=O)[O-])C1CC([NH2+]Cc2c(F)ccc(Br)c2F)C1 ZINC000263494125 553188473 /nfs/dbraw/zinc/18/84/73/553188473.db2.gz JHDKPBMSCXIXOJ-UHFFFAOYSA-N 1 2 377.229 2.754 10 0 GFAELO CC[N@@H+](CC(=O)[O-])C1CC([NH2+]Cc2c(F)ccc(Br)c2F)C1 ZINC000263494125 553188477 /nfs/dbraw/zinc/18/84/77/553188477.db2.gz JHDKPBMSCXIXOJ-UHFFFAOYSA-N 1 2 377.229 2.754 10 0 GFAELO O=C(C1CCCC1)N1CC[NH+](CCNc2cncc(Br)c2)CC1 ZINC000301393973 563402419 /nfs/dbraw/zinc/40/24/19/563402419.db2.gz JZYZSWAUZWMHJU-UHFFFAOYSA-N 1 2 381.318 2.590 10 0 GFAELO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000392906769 563527791 /nfs/dbraw/zinc/52/77/91/563527791.db2.gz XHIQFXHYBYWXGR-HQJQHLMTSA-N 1 2 392.091 2.674 10 0 GFAELO CCCc1noc(C[NH+]2CCC(OC)(c3nc(-c4ccccn4)no3)CC2)n1 ZINC000578210570 570580877 /nfs/dbraw/zinc/58/08/77/570580877.db2.gz ONLFBBCVSKDIAE-UHFFFAOYSA-N 1 2 384.440 2.605 10 0 GFAELO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000056511952 654796606 /nfs/dbraw/zinc/79/66/06/654796606.db2.gz MMVSCKZDWFOFSU-ZDUSSCGKSA-N 1 2 389.323 2.927 10 0 GFAELO Cc1ncc(CN2CC[NH+](C[C@H](O)COc3ccc(Cl)cc3)CC2)s1 ZINC000106090407 655101989 /nfs/dbraw/zinc/10/19/89/655101989.db2.gz AWPRUONDYXNWPH-INIZCTEOSA-N 1 2 381.929 2.662 10 0 GFAELO C[C@@H]1C[NH+](CCCNc2ccccc2S(=O)(=O)C(F)(F)F)C[C@@H](C)O1 ZINC000106087846 655102051 /nfs/dbraw/zinc/10/20/51/655102051.db2.gz HUPHFIIUJUUOBF-CHWSQXEVSA-N 1 2 380.432 2.891 10 0 GFAELO O=C(c1coc(Br)c1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000109644974 655149491 /nfs/dbraw/zinc/14/94/91/655149491.db2.gz PQHACEVLIDXWGI-HNNXBMFYSA-N 1 2 379.254 2.534 10 0 GFAELO C[C@@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000173766073 655180683 /nfs/dbraw/zinc/18/06/83/655180683.db2.gz IAUNLPRIIWBWIV-CJNGLKHVSA-N 1 2 382.302 2.626 10 0 GFAELO CC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000117236800 655261884 /nfs/dbraw/zinc/26/18/84/655261884.db2.gz QLQDCXVFLDZGMQ-ZBFHGGJFSA-N 1 2 383.330 2.855 10 0 GFAELO COc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)NC2CCCCCC2)cc1C ZINC000011933418 204362977 /nfs/dbraw/zinc/36/29/77/204362977.db2.gz OJTCALGJHQDKHD-IBGZPJMESA-N 1 2 387.524 2.533 10 0 GFAELO COc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)NC2CCCCCC2)cc1C ZINC000011933418 204362979 /nfs/dbraw/zinc/36/29/79/204362979.db2.gz OJTCALGJHQDKHD-IBGZPJMESA-N 1 2 387.524 2.533 10 0 GFAELO C[C@H](CNC(=O)NCC(C)(C)c1ccc(Br)cc1)[NH+]1CCOCC1 ZINC000049130776 551158024 /nfs/dbraw/zinc/15/80/24/551158024.db2.gz XCXUWDCBBZRTBE-CQSZACIVSA-N 1 2 398.345 2.747 10 0 GFAELO CSC[C@@H]1CCCN1C(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000153721868 551459145 /nfs/dbraw/zinc/45/91/45/551459145.db2.gz LHLDIRXFBRFCDS-JKSUJKDBSA-N 1 2 383.583 2.967 10 0 GFAELO CCOCC[N@@H+]1CCN(C(=O)c2[nH]nc3ccc(Br)cc32)C[C@@H]1C ZINC000172219265 551673568 /nfs/dbraw/zinc/67/35/68/551673568.db2.gz MKZAEJXFYLBCNI-LBPRGKRZSA-N 1 2 395.301 2.508 10 0 GFAELO CCOCC[N@H+]1CCN(C(=O)c2[nH]nc3ccc(Br)cc32)C[C@@H]1C ZINC000172219265 551673570 /nfs/dbraw/zinc/67/35/70/551673570.db2.gz MKZAEJXFYLBCNI-LBPRGKRZSA-N 1 2 395.301 2.508 10 0 GFAELO CC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172749388 551686631 /nfs/dbraw/zinc/68/66/31/551686631.db2.gz PJYHGXXSTTXSRD-SJLPKXTDSA-N 1 2 395.341 2.951 10 0 GFAELO Cc1ccc(S(=O)(=O)N2CCC[C@H]2Cn2cc[nH+]c2)c(Br)c1 ZINC000173836164 552093591 /nfs/dbraw/zinc/09/35/91/552093591.db2.gz UIUHCSCCEOGKCN-ZDUSSCGKSA-N 1 2 384.299 2.807 10 0 GFAELO CC(C)n1cc(Br)cc1C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000173887994 552095314 /nfs/dbraw/zinc/09/53/14/552095314.db2.gz MDOOZIKUBCBLQZ-BBRMVZONSA-N 1 2 384.318 2.624 10 0 GFAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)N(C)Cc2cscn2)c2cccs2)CCO1 ZINC000175051240 552114861 /nfs/dbraw/zinc/11/48/61/552114861.db2.gz BIVOJUYMQRJJCA-HIFRSBDPSA-N 1 2 380.539 2.808 10 0 GFAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)N(C)Cc2cscn2)c2cccs2)CCO1 ZINC000175051240 552114864 /nfs/dbraw/zinc/11/48/64/552114864.db2.gz BIVOJUYMQRJJCA-HIFRSBDPSA-N 1 2 380.539 2.808 10 0 GFAELO Brc1cc(C[N@@H+]2CCC[C@H](n3cncn3)C2)cc2c1OCCO2 ZINC000179466002 552194154 /nfs/dbraw/zinc/19/41/54/552194154.db2.gz CGKXHVRCJPVNKT-ZDUSSCGKSA-N 1 2 379.258 2.649 10 0 GFAELO Brc1cc(C[N@H+]2CCC[C@H](n3cncn3)C2)cc2c1OCCO2 ZINC000179466002 552194156 /nfs/dbraw/zinc/19/41/56/552194156.db2.gz CGKXHVRCJPVNKT-ZDUSSCGKSA-N 1 2 379.258 2.649 10 0 GFAELO CCC[C@H](C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[NH+](C)C ZINC000179715682 552200850 /nfs/dbraw/zinc/20/08/50/552200850.db2.gz CUQILHODYDBOLL-CQSZACIVSA-N 1 2 382.511 2.613 10 0 GFAELO COCc1nc2n(n1)CCC[C@@H]2[NH2+]Cc1cccc(Br)c1OC ZINC000187301892 552412061 /nfs/dbraw/zinc/41/20/61/552412061.db2.gz CMVULCHKZFYASY-ZDUSSCGKSA-N 1 2 381.274 2.820 10 0 GFAELO C[NH+](C)C[C@H](NS(=O)(=O)c1c(F)c(F)cc(F)c1F)c1ccccc1 ZINC000192888358 552977290 /nfs/dbraw/zinc/97/72/90/552977290.db2.gz BESJFMLZKBUHHE-ZDUSSCGKSA-N 1 2 376.375 2.824 10 0 GFAELO COC(=O)c1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@H](C(F)(F)F)C2)C1=O ZINC000245496503 553091642 /nfs/dbraw/zinc/09/16/42/553091642.db2.gz RMWBFBCSOICSDF-ZYHUDNBSSA-N 1 2 376.400 2.914 10 0 GFAELO COC(=O)c1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@H](C(F)(F)F)C2)C1=O ZINC000245496503 553091643 /nfs/dbraw/zinc/09/16/43/553091643.db2.gz RMWBFBCSOICSDF-ZYHUDNBSSA-N 1 2 376.400 2.914 10 0 GFAELO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000247015775 553117417 /nfs/dbraw/zinc/11/74/17/553117417.db2.gz OUNAYPZDHQNIHO-RNJTYBCJSA-N 1 2 393.325 2.732 10 0 GFAELO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247807454 553125889 /nfs/dbraw/zinc/12/58/89/553125889.db2.gz TUXWWLSTAVUIIV-ZIAGYGMSSA-N 1 2 392.301 2.780 10 0 GFAELO C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247807454 553125891 /nfs/dbraw/zinc/12/58/91/553125891.db2.gz TUXWWLSTAVUIIV-ZIAGYGMSSA-N 1 2 392.301 2.780 10 0 GFAELO CC[N@@H+]1CC[C@@H](NC(=O)NCC(F)(F)CO)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248721386 553134045 /nfs/dbraw/zinc/13/40/45/553134045.db2.gz LZTBMPMYDYNHJV-ZIAGYGMSSA-N 1 2 379.810 2.541 10 0 GFAELO CC[N@H+]1CC[C@@H](NC(=O)NCC(F)(F)CO)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248721386 553134047 /nfs/dbraw/zinc/13/40/47/553134047.db2.gz LZTBMPMYDYNHJV-ZIAGYGMSSA-N 1 2 379.810 2.541 10 0 GFAELO O=C(c1cccc2nc[nH]c21)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000275732974 570699196 /nfs/dbraw/zinc/69/91/96/570699196.db2.gz UVAHUSCHZHCTAZ-OAHLLOKOSA-N 1 2 377.448 2.852 10 0 GFAELO CC[C@@H]1CN(C(=O)c2cc(OC)c(Br)s2)CC[N@@H+]1CCOC ZINC000135102467 655009660 /nfs/dbraw/zinc/00/96/60/655009660.db2.gz NNOJNUAMIYCVQE-LLVKDONJSA-N 1 2 391.331 2.702 10 0 GFAELO CC[C@@H]1CN(C(=O)c2cc(OC)c(Br)s2)CC[N@H+]1CCOC ZINC000135102467 655009664 /nfs/dbraw/zinc/00/96/64/655009664.db2.gz NNOJNUAMIYCVQE-LLVKDONJSA-N 1 2 391.331 2.702 10 0 GFAELO COCCNc1nn(CN2CCc3c([nH+]c(C(C)C)n3C)C2)c(=S)s1 ZINC000153044103 655064164 /nfs/dbraw/zinc/06/41/64/655064164.db2.gz WQLLVKVMCVSZEB-UHFFFAOYSA-N 1 2 382.559 2.605 10 0 GFAELO Cc1nc(CN2CCC[N@H+](Cc3ccc(F)c(Br)c3)CC2)no1 ZINC000106146463 655104084 /nfs/dbraw/zinc/10/40/84/655104084.db2.gz SKZDBTJLIBSTNH-UHFFFAOYSA-N 1 2 383.265 2.988 10 0 GFAELO Cc1nc(CN2CCC[N@@H+](Cc3ccc(F)c(Br)c3)CC2)no1 ZINC000106146463 655104087 /nfs/dbraw/zinc/10/40/87/655104087.db2.gz SKZDBTJLIBSTNH-UHFFFAOYSA-N 1 2 383.265 2.988 10 0 GFAELO Cn1cc(C[N@@H+]2CCCN(C(=O)c3sccc3Br)CC2)cn1 ZINC000107253392 655119115 /nfs/dbraw/zinc/11/91/15/655119115.db2.gz VNRWDCBBNKNEMS-UHFFFAOYSA-N 1 2 383.315 2.592 10 0 GFAELO Cn1cc(C[N@H+]2CCCN(C(=O)c3sccc3Br)CC2)cn1 ZINC000107253392 655119119 /nfs/dbraw/zinc/11/91/19/655119119.db2.gz VNRWDCBBNKNEMS-UHFFFAOYSA-N 1 2 383.315 2.592 10 0 GFAELO Cn1cc(C[N@@H+]2CCCN(C(=O)c3cc(F)ccc3Br)CC2)cn1 ZINC000109659351 655150213 /nfs/dbraw/zinc/15/02/13/655150213.db2.gz UTEXYMCMFGOAND-UHFFFAOYSA-N 1 2 395.276 2.670 10 0 GFAELO Cn1cc(C[N@H+]2CCCN(C(=O)c3cc(F)ccc3Br)CC2)cn1 ZINC000109659351 655150215 /nfs/dbraw/zinc/15/02/15/655150215.db2.gz UTEXYMCMFGOAND-UHFFFAOYSA-N 1 2 395.276 2.670 10 0 GFAELO C[C@@H]1CN(C(=O)c2cc(-c3ccc(Cl)s3)on2)C[C@H]1[NH+]1CCOCC1 ZINC000173403447 655170088 /nfs/dbraw/zinc/17/00/88/655170088.db2.gz DENRGNPFTZLMHV-DGCLKSJQSA-N 1 2 381.885 2.849 10 0 GFAELO CC(C)(C)OC(=O)NC1C[NH+]([C@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000039952031 205044888 /nfs/dbraw/zinc/04/48/88/205044888.db2.gz JCAUATLMQAILIA-KRWDZBQOSA-N 1 2 375.469 2.606 10 0 GFAELO [NH3+][C@H](CO)c1c(Br)cc(Br)c(O)c1Br ZINC000072199967 205318346 /nfs/dbraw/zinc/31/83/46/205318346.db2.gz PLEFWLPVXQTWQI-RXMQYKEDSA-N 1 2 389.869 2.672 10 0 GFAELO OC[C@H]1CCCN1c1cc(NCCc2cc(Br)ccc2F)[nH+]cn1 ZINC000110289757 551203895 /nfs/dbraw/zinc/20/38/95/551203895.db2.gz NSOQGZWLQACLOX-CQSZACIVSA-N 1 2 395.276 2.994 10 0 GFAELO OC[C@H]1CCCN1c1cc(NCCc2cc(Br)ccc2F)nc[nH+]1 ZINC000110289757 551203896 /nfs/dbraw/zinc/20/38/96/551203896.db2.gz NSOQGZWLQACLOX-CQSZACIVSA-N 1 2 395.276 2.994 10 0 GFAELO OC[C@@H]1CCCN1c1cc(NCCc2cc(Br)ccc2F)[nH+]cn1 ZINC000110289762 551203904 /nfs/dbraw/zinc/20/39/04/551203904.db2.gz NSOQGZWLQACLOX-AWEZNQCLSA-N 1 2 395.276 2.994 10 0 GFAELO OC[C@@H]1CCCN1c1cc(NCCc2cc(Br)ccc2F)nc[nH+]1 ZINC000110289762 551203905 /nfs/dbraw/zinc/20/39/05/551203905.db2.gz NSOQGZWLQACLOX-AWEZNQCLSA-N 1 2 395.276 2.994 10 0 GFAELO Brc1cccc(-c2c[nH]c(C[N@@H+]3CC[C@@H](N4CCOCC4)C3)n2)c1 ZINC000120960892 551223909 /nfs/dbraw/zinc/22/39/09/551223909.db2.gz ITFJJWZVOBEIOS-MRXNPFEDSA-N 1 2 391.313 2.746 10 0 GFAELO Brc1cccc(-c2c[nH]c(C[N@H+]3CC[C@@H](N4CCOCC4)C3)n2)c1 ZINC000120960892 551223912 /nfs/dbraw/zinc/22/39/12/551223912.db2.gz ITFJJWZVOBEIOS-MRXNPFEDSA-N 1 2 391.313 2.746 10 0 GFAELO Brc1cccc(-c2c[nH]c(CN3CC[C@@H]([NH+]4CCOCC4)C3)n2)c1 ZINC000120960892 551223914 /nfs/dbraw/zinc/22/39/14/551223914.db2.gz ITFJJWZVOBEIOS-MRXNPFEDSA-N 1 2 391.313 2.746 10 0 GFAELO C[C@@H](CNC(=O)NCC(C)(C)c1ccccc1Br)[NH+]1CCOCC1 ZINC000123875345 551309374 /nfs/dbraw/zinc/30/93/74/551309374.db2.gz NLSBZIOOQQZRFL-AWEZNQCLSA-N 1 2 398.345 2.747 10 0 GFAELO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)C1 ZINC000126117824 551326665 /nfs/dbraw/zinc/32/66/65/551326665.db2.gz JNRHVUWILNSOQQ-HNNXBMFYSA-N 1 2 383.945 2.937 10 0 GFAELO C[N@H+]1CCO[C@@H](CNC(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)C1 ZINC000126117824 551326666 /nfs/dbraw/zinc/32/66/66/551326666.db2.gz JNRHVUWILNSOQQ-HNNXBMFYSA-N 1 2 383.945 2.937 10 0 GFAELO CCC[C@H](C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1)[NH+](C)C ZINC000131108860 551372409 /nfs/dbraw/zinc/37/24/09/551372409.db2.gz QPIPQGSOOUGRGJ-CYBMUJFWSA-N 1 2 380.290 2.581 10 0 GFAELO CCC[C@H](C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1)[NH+](C)C ZINC000131108860 551372412 /nfs/dbraw/zinc/37/24/12/551372412.db2.gz QPIPQGSOOUGRGJ-CYBMUJFWSA-N 1 2 380.290 2.581 10 0 GFAELO O=C(Cc1ccccc1I)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000153886777 551462724 /nfs/dbraw/zinc/46/27/24/551462724.db2.gz ZFXQHPVDBJIWPN-CQSZACIVSA-N 1 2 395.244 2.721 10 0 GFAELO C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000154512584 551477044 /nfs/dbraw/zinc/47/70/44/551477044.db2.gz JFCUOLVLDSRKHT-WMLDXEAASA-N 1 2 381.314 2.561 10 0 GFAELO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000154512460 551477230 /nfs/dbraw/zinc/47/72/30/551477230.db2.gz JFCUOLVLDSRKHT-PBHICJAKSA-N 1 2 381.314 2.561 10 0 GFAELO Cc1nc(C[C@@H]2CCC[N@@H+]([C@H](C(N)=O)c3cccc(Br)c3)C2)no1 ZINC000156563176 551524947 /nfs/dbraw/zinc/52/49/47/551524947.db2.gz JAHPWTIKCLKUEF-LRDDRELGSA-N 1 2 393.285 2.622 10 0 GFAELO Cc1nc(C[C@@H]2CCC[N@H+]([C@H](C(N)=O)c3cccc(Br)c3)C2)no1 ZINC000156563176 551524949 /nfs/dbraw/zinc/52/49/49/551524949.db2.gz JAHPWTIKCLKUEF-LRDDRELGSA-N 1 2 393.285 2.622 10 0 GFAELO OC[C@H]1CCCN1c1cc(NC[C@H](O)c2c(Cl)cccc2Cl)[nH+]cn1 ZINC000156855599 551529294 /nfs/dbraw/zinc/52/92/94/551529294.db2.gz HOMOSBKNEFQNGL-RISCZKNCSA-N 1 2 383.279 2.890 10 0 GFAELO OC[C@H]1CCCN1c1cc(NC[C@H](O)c2c(Cl)cccc2Cl)nc[nH+]1 ZINC000156855599 551529297 /nfs/dbraw/zinc/52/92/97/551529297.db2.gz HOMOSBKNEFQNGL-RISCZKNCSA-N 1 2 383.279 2.890 10 0 GFAELO COc1ccc(Cl)cc1NC(=O)CS(=O)(=O)Cc1[nH+]ccn1C(C)C ZINC000171674518 551660917 /nfs/dbraw/zinc/66/09/17/551660917.db2.gz FLVDDKWPHXHKBT-UHFFFAOYSA-N 1 2 385.873 2.680 10 0 GFAELO O=C(CCSc1ccc(Br)cc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172743391 551686438 /nfs/dbraw/zinc/68/64/38/551686438.db2.gz FTIIWYBVQIAMRI-OAHLLOKOSA-N 1 2 399.354 2.864 10 0 GFAELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)c1cc(Br)c[nH]1 ZINC000176540149 552140882 /nfs/dbraw/zinc/14/08/82/552140882.db2.gz MROOBIRCEJGKFU-CQSZACIVSA-N 1 2 398.326 2.984 10 0 GFAELO Cc1ccc([C@@H](CNC(=O)Cc2c(C)noc2Cl)[NH+]2CCOCC2)s1 ZINC000176575358 552141815 /nfs/dbraw/zinc/14/18/15/552141815.db2.gz ZGSLWOOZRXHRDZ-CQSZACIVSA-N 1 2 383.901 2.739 10 0 GFAELO C[C@@H]1CN(C(=O)Nc2cc(Br)ccc2F)C[C@H]1[NH+]1CCOCC1 ZINC000177849654 552160032 /nfs/dbraw/zinc/16/00/32/552160032.db2.gz YNNQAENSHCIWGQ-IAQYHMDHSA-N 1 2 386.265 2.773 10 0 GFAELO Cc1csc(CNC(=O)NC[C@H](c2ccc(C)s2)[NH+]2CCOCC2)n1 ZINC000178487367 552171299 /nfs/dbraw/zinc/17/12/99/552171299.db2.gz QDDANPHDBUHGFW-CQSZACIVSA-N 1 2 380.539 2.694 10 0 GFAELO C[C@@H]([NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl)C(=O)N1CCC(C(N)=O)CC1 ZINC000179542667 552196157 /nfs/dbraw/zinc/19/61/57/552196157.db2.gz WGDAPQNENXWFQA-NXEZZACHSA-N 1 2 390.286 2.896 10 0 GFAELO Cc1cc(F)c(Br)cc1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000190875340 552512163 /nfs/dbraw/zinc/51/21/63/552512163.db2.gz KZHHVPCMIXBHDD-GFCCVEGCSA-N 1 2 386.265 2.835 10 0 GFAELO CC[C@H]1CN(S(=O)(=O)c2ccc(SC)c(Cl)c2)CC[N@@H+]1C[C@H](C)O ZINC000248658207 553132606 /nfs/dbraw/zinc/13/26/06/553132606.db2.gz XTBBPUNSINUFDS-STQMWFEESA-N 1 2 392.974 2.528 10 0 GFAELO CC[C@H]1CN(S(=O)(=O)c2ccc(SC)c(Cl)c2)CC[N@H+]1C[C@H](C)O ZINC000248658207 553132608 /nfs/dbraw/zinc/13/26/08/553132608.db2.gz XTBBPUNSINUFDS-STQMWFEESA-N 1 2 392.974 2.528 10 0 GFAELO CS(=O)(=O)N(CCOc1ccccc1Cl)Cc1cn2c([nH+]1)CCCC2 ZINC000328643831 563462275 /nfs/dbraw/zinc/46/22/75/563462275.db2.gz YZFXRDFTAHUTAB-UHFFFAOYSA-N 1 2 383.901 2.713 10 0 GFAELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2cccc3c2N=S=N3)C[C@@H]1CC ZINC000116899238 655255920 /nfs/dbraw/zinc/25/59/20/655255920.db2.gz VTLWOUUTVPNKMA-ZDUSSCGKSA-N 1 2 384.527 2.534 10 0 GFAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2cccc3c2N=S=N3)C[C@@H]1CC ZINC000116899238 655255923 /nfs/dbraw/zinc/25/59/23/655255923.db2.gz VTLWOUUTVPNKMA-ZDUSSCGKSA-N 1 2 384.527 2.534 10 0 GFAELO COc1cccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)NC2CCCCCCC2)c1 ZINC000011663180 204349420 /nfs/dbraw/zinc/34/94/20/204349420.db2.gz JIZCOJWOXYUVCL-HXUWFJFHSA-N 1 2 387.524 2.615 10 0 GFAELO COc1cccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)NC2CCCCCCC2)c1 ZINC000011663180 204349425 /nfs/dbraw/zinc/34/94/25/204349425.db2.gz JIZCOJWOXYUVCL-HXUWFJFHSA-N 1 2 387.524 2.615 10 0 GFAELO C[C@H]1C[N@H+](CC(=O)NCc2cc(-c3ccccc3)n[nH]2)Cc2ccccc2O1 ZINC000011788535 204352538 /nfs/dbraw/zinc/35/25/38/204352538.db2.gz OBKDNXHCBBNNLL-INIZCTEOSA-N 1 2 376.460 2.976 10 0 GFAELO C[C@H]1C[N@@H+](CC(=O)NCc2cc(-c3ccccc3)n[nH]2)Cc2ccccc2O1 ZINC000011788535 204352542 /nfs/dbraw/zinc/35/25/42/204352542.db2.gz OBKDNXHCBBNNLL-INIZCTEOSA-N 1 2 376.460 2.976 10 0 GFAELO CC(C)CC(=O)N[C@@H](C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)C(C)C ZINC000057055134 205153967 /nfs/dbraw/zinc/15/39/67/205153967.db2.gz LYYHXNHNLGGAFZ-OAQYLSRUSA-N 1 2 388.556 2.559 10 0 GFAELO CCNc1cc(N2CCC(CCC(=O)NCc3c(C)nn(C)c3C)CC2)nc[nH+]1 ZINC000065274064 205225675 /nfs/dbraw/zinc/22/56/75/205225675.db2.gz KTKPSXNYKVRZOA-UHFFFAOYSA-N 1 2 399.543 2.572 10 0 GFAELO CCNc1cc(N2CCC(CCC(=O)NCc3c(C)nn(C)c3C)CC2)[nH+]cn1 ZINC000065274064 205225680 /nfs/dbraw/zinc/22/56/80/205225680.db2.gz KTKPSXNYKVRZOA-UHFFFAOYSA-N 1 2 399.543 2.572 10 0 GFAELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2cc(C)c(F)cc2Cl)C[C@@H]1C ZINC000120910076 551222537 /nfs/dbraw/zinc/22/25/37/551222537.db2.gz RKLFTSBPVYAUQJ-ZDUSSCGKSA-N 1 2 378.897 2.519 10 0 GFAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2cc(C)c(F)cc2Cl)C[C@@H]1C ZINC000120910076 551222540 /nfs/dbraw/zinc/22/25/40/551222540.db2.gz RKLFTSBPVYAUQJ-ZDUSSCGKSA-N 1 2 378.897 2.519 10 0 GFAELO OC[C@@H]1CCCN(c2cc(NCCc3ccc(Br)o3)[nH+]cn2)C1 ZINC000132124528 551377096 /nfs/dbraw/zinc/37/70/96/551377096.db2.gz RHAAWBUKBQLXKV-GFCCVEGCSA-N 1 2 381.274 2.695 10 0 GFAELO OC[C@@H]1CCCN(c2cc(NCCc3ccc(Br)o3)nc[nH+]2)C1 ZINC000132124528 551377099 /nfs/dbraw/zinc/37/70/99/551377099.db2.gz RHAAWBUKBQLXKV-GFCCVEGCSA-N 1 2 381.274 2.695 10 0 GFAELO Cc1nc(C[N@@H+]2CCCN(C(=O)c3ccncc3Br)CC2)cs1 ZINC000152854596 551441046 /nfs/dbraw/zinc/44/10/46/551441046.db2.gz QDUBDJSLTKMYLG-UHFFFAOYSA-N 1 2 395.326 2.957 10 0 GFAELO Cc1nc(C[N@H+]2CCCN(C(=O)c3ccncc3Br)CC2)cs1 ZINC000152854596 551441047 /nfs/dbraw/zinc/44/10/47/551441047.db2.gz QDUBDJSLTKMYLG-UHFFFAOYSA-N 1 2 395.326 2.957 10 0 GFAELO CSC[C@@H]1CCCN1C(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000153721982 551458870 /nfs/dbraw/zinc/45/88/70/551458870.db2.gz LHLDIRXFBRFCDS-HOTGVXAUSA-N 1 2 383.583 2.967 10 0 GFAELO Cn1nccc1C1CC[NH+]([C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000155394843 551499067 /nfs/dbraw/zinc/49/90/67/551499067.db2.gz MTVYHALUAKAXSF-MRXNPFEDSA-N 1 2 377.286 2.589 10 0 GFAELO CCn1cc[nH+]c1CS(=O)(=O)CC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000156263251 551518582 /nfs/dbraw/zinc/51/85/82/551518582.db2.gz ZEDSMYZGNCUORM-INIZCTEOSA-N 1 2 383.539 2.783 10 0 GFAELO Brc1csc(-c2noc(C[N@@H+]3CCC[C@H](n4cncn4)C3)n2)c1 ZINC000171706018 551661232 /nfs/dbraw/zinc/66/12/32/551661232.db2.gz OTXMWGSTMKNCDJ-NSHDSACASA-N 1 2 395.286 2.989 10 0 GFAELO Brc1csc(-c2noc(C[N@H+]3CCC[C@H](n4cncn4)C3)n2)c1 ZINC000171706018 551661234 /nfs/dbraw/zinc/66/12/34/551661234.db2.gz OTXMWGSTMKNCDJ-NSHDSACASA-N 1 2 395.286 2.989 10 0 GFAELO Cc1cc(I)ccc1NC(=O)C[N@@H+]1CCS[C@@H](C)C1 ZINC000171702453 551661248 /nfs/dbraw/zinc/66/12/48/551661248.db2.gz NIRZTXMBZYMRGQ-NSHDSACASA-N 1 2 390.290 2.975 10 0 GFAELO Cc1cc(I)ccc1NC(=O)C[N@H+]1CCS[C@@H](C)C1 ZINC000171702453 551661250 /nfs/dbraw/zinc/66/12/50/551661250.db2.gz NIRZTXMBZYMRGQ-NSHDSACASA-N 1 2 390.290 2.975 10 0 GFAELO C[C@@H]1CN(C(=O)c2cc(Br)ccc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000173823451 552092684 /nfs/dbraw/zinc/09/26/84/552092684.db2.gz ACGIKIKDBJCNJH-IAQYHMDHSA-N 1 2 387.705 2.895 10 0 GFAELO C[C@H]1CN(C(=O)c2cc(Br)ccc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000173823436 552092771 /nfs/dbraw/zinc/09/27/71/552092771.db2.gz ACGIKIKDBJCNJH-NHYWBVRUSA-N 1 2 387.705 2.895 10 0 GFAELO COC(=O)c1ccsc1N1CC[C@H]([N@@H+]2CCC[C@H](C(F)(F)F)C2)C1=O ZINC000173857212 552094867 /nfs/dbraw/zinc/09/48/67/552094867.db2.gz RMWBFBCSOICSDF-JQWIXIFHSA-N 1 2 376.400 2.914 10 0 GFAELO COC(=O)c1ccsc1N1CC[C@H]([N@H+]2CCC[C@H](C(F)(F)F)C2)C1=O ZINC000173857212 552094868 /nfs/dbraw/zinc/09/48/68/552094868.db2.gz RMWBFBCSOICSDF-JQWIXIFHSA-N 1 2 376.400 2.914 10 0 GFAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000180465644 552226759 /nfs/dbraw/zinc/22/67/59/552226759.db2.gz QNVADWJIJPBJFB-JTQLQIEISA-N 1 2 381.192 2.528 10 0 GFAELO C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000180465644 552226761 /nfs/dbraw/zinc/22/67/61/552226761.db2.gz QNVADWJIJPBJFB-JTQLQIEISA-N 1 2 381.192 2.528 10 0 GFAELO C[C@H](NC(=O)C[NH2+][C@@H](C)c1ccccc1Br)C(=O)N1CCCCC1 ZINC000181572570 552260953 /nfs/dbraw/zinc/26/09/53/552260953.db2.gz ARBSYRMRPFLLDJ-KBPBESRZSA-N 1 2 396.329 2.617 10 0 GFAELO C[N@H+](CC(=O)[O-])C1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000186679858 552394974 /nfs/dbraw/zinc/39/49/74/552394974.db2.gz KERKPYLPBOXGGQ-UHFFFAOYSA-N 1 2 392.297 2.978 10 0 GFAELO C[N@@H+](CC(=O)[O-])C1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000186679858 552394976 /nfs/dbraw/zinc/39/49/76/552394976.db2.gz KERKPYLPBOXGGQ-UHFFFAOYSA-N 1 2 392.297 2.978 10 0 GFAELO CC[C@@H]1CN(Cc2cccc(Cl)c2S(=O)(=O)CC)CC[N@@H+]1CCOC ZINC000186941159 552402670 /nfs/dbraw/zinc/40/26/70/552402670.db2.gz SGRCHUKMRUIKLH-MRXNPFEDSA-N 1 2 388.961 2.676 10 0 GFAELO CC[C@@H]1CN(Cc2cccc(Cl)c2S(=O)(=O)CC)CC[N@H+]1CCOC ZINC000186941159 552402672 /nfs/dbraw/zinc/40/26/72/552402672.db2.gz SGRCHUKMRUIKLH-MRXNPFEDSA-N 1 2 388.961 2.676 10 0 GFAELO COCc1nc2n(n1)CCC[C@H]2[NH2+]Cc1cccc(Br)c1OC ZINC000187301913 552412048 /nfs/dbraw/zinc/41/20/48/552412048.db2.gz CMVULCHKZFYASY-CYBMUJFWSA-N 1 2 381.274 2.820 10 0 GFAELO CSc1ccc(Cl)cc1NC(=O)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000190755410 552507836 /nfs/dbraw/zinc/50/78/36/552507836.db2.gz HTHSDEXPQXZIJH-CYBMUJFWSA-N 1 2 378.885 2.888 10 0 GFAELO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000246903943 553115266 /nfs/dbraw/zinc/11/52/66/553115266.db2.gz HYQVQVKGBGZAOY-IGCXYCKISA-N 1 2 387.307 2.940 10 0 GFAELO O[C@H](COc1cccc(Br)c1)C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000247019302 553117434 /nfs/dbraw/zinc/11/74/34/553117434.db2.gz SIVVLANDJKNTMJ-WMLDXEAASA-N 1 2 382.254 2.855 10 0 GFAELO O[C@H](COc1cccc(Br)c1)C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000247019302 553117436 /nfs/dbraw/zinc/11/74/36/553117436.db2.gz SIVVLANDJKNTMJ-WMLDXEAASA-N 1 2 382.254 2.855 10 0 GFAELO Cc1ccc([C@H](CNC(=O)N2CCS[C@@H](C)[C@H]2C)[NH+]2CCOCC2)s1 ZINC000248371906 553128814 /nfs/dbraw/zinc/12/88/14/553128814.db2.gz ZGSHXVHQMJTTEA-PMPSAXMXSA-N 1 2 383.583 2.965 10 0 GFAELO C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCO[C@@H]2c2ccc(Cl)cc2Cl)C1 ZINC000248543515 553130360 /nfs/dbraw/zinc/13/03/60/553130360.db2.gz CMJRMBOVHJEZPB-UKPHBRMFSA-N 1 2 387.307 2.908 10 0 GFAELO C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCO[C@@H]2c2ccc(Cl)cc2Cl)C1 ZINC000248543515 553130363 /nfs/dbraw/zinc/13/03/63/553130363.db2.gz CMJRMBOVHJEZPB-UKPHBRMFSA-N 1 2 387.307 2.908 10 0 GFAELO Cc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000012453466 570724606 /nfs/dbraw/zinc/72/46/06/570724606.db2.gz CUAWMOARKYEFHW-FQEVSTJZSA-N 1 2 399.922 2.698 10 0 GFAELO Cc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000012453466 570724607 /nfs/dbraw/zinc/72/46/07/570724607.db2.gz CUAWMOARKYEFHW-FQEVSTJZSA-N 1 2 399.922 2.698 10 0 GFAELO COc1nc(N2CCC[N@H+](Cc3csc(C)n3)CC2)ncc1Br ZINC000176249905 655241435 /nfs/dbraw/zinc/24/14/35/655241435.db2.gz YEYYHSLEJUYKDS-UHFFFAOYSA-N 1 2 398.330 2.725 10 0 GFAELO COc1nc(N2CCC[N@@H+](Cc3csc(C)n3)CC2)ncc1Br ZINC000176249905 655241436 /nfs/dbraw/zinc/24/14/36/655241436.db2.gz YEYYHSLEJUYKDS-UHFFFAOYSA-N 1 2 398.330 2.725 10 0 GFAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)C[C@@H]1C ZINC000117521434 655265495 /nfs/dbraw/zinc/26/54/95/655265495.db2.gz XVCXGYSMJTVXTA-LBPRGKRZSA-N 1 2 388.295 2.501 10 0 GFAELO CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)C[C@@H]1C ZINC000117521434 655265498 /nfs/dbraw/zinc/26/54/98/655265498.db2.gz XVCXGYSMJTVXTA-LBPRGKRZSA-N 1 2 388.295 2.501 10 0 GFAELO O=C(c1ccc(F)cc1I)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177812514 655289173 /nfs/dbraw/zinc/28/91/73/655289173.db2.gz OBHXSGKGDUININ-GFCCVEGCSA-N 1 2 399.207 2.932 10 0 GFAELO C[C@@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C(C)(C)C)C[C@H](C)[NH2+]1 ZINC000005929712 204157038 /nfs/dbraw/zinc/15/70/38/204157038.db2.gz ZKXANRKOHXSTKC-TXEJJXNPSA-N 1 2 375.444 2.780 10 0 GFAELO CC[N@H+](CCCn1c(=O)[nH]c2cc(OC)c(OC)cc2c1=O)c1ccccc1 ZINC000073658052 521041499 /nfs/dbraw/zinc/04/14/99/521041499.db2.gz MLKGKZVEFJSSIW-UHFFFAOYSA-N 1 2 383.448 2.624 10 0 GFAELO CC[N@@H+](CCCn1c(=O)[nH]c2cc(OC)c(OC)cc2c1=O)c1ccccc1 ZINC000073658052 521041503 /nfs/dbraw/zinc/04/15/03/521041503.db2.gz MLKGKZVEFJSSIW-UHFFFAOYSA-N 1 2 383.448 2.624 10 0 GFAELO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)c(Br)c1 ZINC000116311142 551211988 /nfs/dbraw/zinc/21/19/88/551211988.db2.gz OZAJTISZZCLNJR-CYBMUJFWSA-N 1 2 377.286 2.919 10 0 GFAELO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c(Br)c1 ZINC000116311142 551211989 /nfs/dbraw/zinc/21/19/89/551211989.db2.gz OZAJTISZZCLNJR-CYBMUJFWSA-N 1 2 377.286 2.919 10 0 GFAELO O=C(CCCc1ccccc1Br)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000123144473 551303539 /nfs/dbraw/zinc/30/35/39/551303539.db2.gz MQUXFWHADLCKGQ-MRXNPFEDSA-N 1 2 381.314 2.705 10 0 GFAELO C[C@H](c1cccc(Br)c1)[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000128093521 551346655 /nfs/dbraw/zinc/34/66/55/551346655.db2.gz USOIRTJRUPLDDF-CYBMUJFWSA-N 1 2 387.285 2.770 10 0 GFAELO C[C@H]1C[N@@H+]([C@@H](CNC(=O)N(C)Cc2cscn2)c2cccs2)CCO1 ZINC000175051253 552114691 /nfs/dbraw/zinc/11/46/91/552114691.db2.gz BIVOJUYMQRJJCA-ZFWWWQNUSA-N 1 2 380.539 2.808 10 0 GFAELO C[C@H]1C[N@H+]([C@@H](CNC(=O)N(C)Cc2cscn2)c2cccs2)CCO1 ZINC000175051253 552114692 /nfs/dbraw/zinc/11/46/92/552114692.db2.gz BIVOJUYMQRJJCA-ZFWWWQNUSA-N 1 2 380.539 2.808 10 0 GFAELO Cn1cc(C[N@@H+]2CCCN(C(=O)c3c(O)cc(Cl)cc3Cl)CC2)cn1 ZINC000175222879 552118420 /nfs/dbraw/zinc/11/84/20/552118420.db2.gz CEDFGRZCDCMFFB-UHFFFAOYSA-N 1 2 383.279 2.781 10 0 GFAELO Cn1cc(C[N@H+]2CCCN(C(=O)c3c(O)cc(Cl)cc3Cl)CC2)cn1 ZINC000175222879 552118421 /nfs/dbraw/zinc/11/84/21/552118421.db2.gz CEDFGRZCDCMFFB-UHFFFAOYSA-N 1 2 383.279 2.781 10 0 GFAELO CCc1nc(CC(=O)NC[C@@H](c2ccc(C)s2)[NH+]2CCOCC2)cs1 ZINC000176570749 552141938 /nfs/dbraw/zinc/14/19/38/552141938.db2.gz FOKVYLOEDPKSGG-HNNXBMFYSA-N 1 2 379.551 2.808 10 0 GFAELO Cc1nc(CN2CCC[N@H+](Cc3cc(F)cc(Br)c3)CC2)no1 ZINC000177711392 552157336 /nfs/dbraw/zinc/15/73/36/552157336.db2.gz FRILTBHDTRYUDX-UHFFFAOYSA-N 1 2 383.265 2.988 10 0 GFAELO Cc1nc(CN2CCC[N@@H+](Cc3cc(F)cc(Br)c3)CC2)no1 ZINC000177711392 552157339 /nfs/dbraw/zinc/15/73/39/552157339.db2.gz FRILTBHDTRYUDX-UHFFFAOYSA-N 1 2 383.265 2.988 10 0 GFAELO C[C@H]1C[N@@H+]([C@@H](CNC(=O)NCCc2nccs2)c2cccs2)CCO1 ZINC000178621136 552173360 /nfs/dbraw/zinc/17/33/60/552173360.db2.gz WMFNDRGFUANECZ-KBPBESRZSA-N 1 2 380.539 2.508 10 0 GFAELO C[C@H]1C[N@H+]([C@@H](CNC(=O)NCCc2nccs2)c2cccs2)CCO1 ZINC000178621136 552173362 /nfs/dbraw/zinc/17/33/62/552173362.db2.gz WMFNDRGFUANECZ-KBPBESRZSA-N 1 2 380.539 2.508 10 0 GFAELO C[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccc(Cl)s2)C[C@@H]1[NH+]1CCOCC1 ZINC000189935234 552483216 /nfs/dbraw/zinc/48/32/16/552483216.db2.gz ULKFFYIUVVNCOU-YPMHNXCESA-N 1 2 380.901 2.584 10 0 GFAELO C[N@@H+]1CCO[C@@H](CNC(=O)C2(c3ccc(Br)cc3)CCCC2)C1 ZINC000194621204 553025613 /nfs/dbraw/zinc/02/56/13/553025613.db2.gz KPGZCXYWYXMWOL-INIZCTEOSA-N 1 2 381.314 2.708 10 0 GFAELO C[N@H+]1CCO[C@@H](CNC(=O)C2(c3ccc(Br)cc3)CCCC2)C1 ZINC000194621204 553025616 /nfs/dbraw/zinc/02/56/16/553025616.db2.gz KPGZCXYWYXMWOL-INIZCTEOSA-N 1 2 381.314 2.708 10 0 GFAELO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000246968032 553116594 /nfs/dbraw/zinc/11/65/94/553116594.db2.gz QATNMDIVUDZEFW-YDHLFZDLSA-N 1 2 387.307 2.940 10 0 GFAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)N(C)Cc2cscn2)c2cccs2)CCO1 ZINC000248325645 553128358 /nfs/dbraw/zinc/12/83/58/553128358.db2.gz BIVOJUYMQRJJCA-UKRRQHHQSA-N 1 2 380.539 2.808 10 0 GFAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)N(C)Cc2cscn2)c2cccs2)CCO1 ZINC000248325645 553128360 /nfs/dbraw/zinc/12/83/60/553128360.db2.gz BIVOJUYMQRJJCA-UKRRQHHQSA-N 1 2 380.539 2.808 10 0 GFAELO CN1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000328616782 563461800 /nfs/dbraw/zinc/46/18/00/563461800.db2.gz CAGQCOWMECTBFO-AWEZNQCLSA-N 1 2 389.308 2.535 10 0 GFAELO CC(C)[C@H]1OCCC[C@H]1Nc1cc(N2CCC(NC(=O)C3CC3)CC2)nc[nH+]1 ZINC000435344187 570994297 /nfs/dbraw/zinc/99/42/97/570994297.db2.gz SYNWMJRSRCKZRZ-YLJYHZDGSA-N 1 2 387.528 2.587 10 0 GFAELO CC(C)[C@H]1OCCC[C@H]1Nc1cc(N2CCC(NC(=O)C3CC3)CC2)[nH+]cn1 ZINC000435344187 570994300 /nfs/dbraw/zinc/99/43/00/570994300.db2.gz SYNWMJRSRCKZRZ-YLJYHZDGSA-N 1 2 387.528 2.587 10 0 GFAELO Brc1ccc2c(c1)C=C(C[N@@H+]1CCO[C@H](Cn3cccn3)C1)CO2 ZINC000122285026 654732365 /nfs/dbraw/zinc/73/23/65/654732365.db2.gz IVZLLWBLJVZPME-KRWDZBQOSA-N 1 2 390.281 2.822 10 0 GFAELO Brc1ccc2c(c1)C=C(C[N@H+]1CCO[C@H](Cn3cccn3)C1)CO2 ZINC000122285026 654732366 /nfs/dbraw/zinc/73/23/66/654732366.db2.gz IVZLLWBLJVZPME-KRWDZBQOSA-N 1 2 390.281 2.822 10 0 GFAELO Cc1cnn([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(Br)cn3)C2)c1 ZINC000106222387 655105228 /nfs/dbraw/zinc/10/52/28/655105228.db2.gz YYCNFIWFHAKIPL-CQSZACIVSA-N 1 2 378.274 2.625 10 0 GFAELO Cc1cnn([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(Br)cn3)C2)c1 ZINC000106222387 655105230 /nfs/dbraw/zinc/10/52/30/655105230.db2.gz YYCNFIWFHAKIPL-CQSZACIVSA-N 1 2 378.274 2.625 10 0 GFAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)c3cc(Br)c[nH]3)CC2)cn1 ZINC000109664804 655150192 /nfs/dbraw/zinc/15/01/92/655150192.db2.gz IYTFKOBNHLQAPF-UHFFFAOYSA-N 1 2 394.317 2.732 10 0 GFAELO CCCn1cc(C[N@H+]2CCCN(C(=O)c3cc(Br)c[nH]3)CC2)cn1 ZINC000109664804 655150195 /nfs/dbraw/zinc/15/01/95/655150195.db2.gz IYTFKOBNHLQAPF-UHFFFAOYSA-N 1 2 394.317 2.732 10 0 GFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2nc(Cl)ccc2Cl)nc[nH+]1 ZINC000173444695 655172672 /nfs/dbraw/zinc/17/26/72/655172672.db2.gz JHXOTJKEROMVJD-SNVBAGLBSA-N 1 2 381.267 2.619 10 0 GFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2nc(Cl)ccc2Cl)[nH+]cn1 ZINC000173444695 655172674 /nfs/dbraw/zinc/17/26/74/655172674.db2.gz JHXOTJKEROMVJD-SNVBAGLBSA-N 1 2 381.267 2.619 10 0 GFAELO C[N@@H+]1CCO[C@H](CNC(=O)Nc2cc(Br)c(F)cc2Cl)C1 ZINC000177989371 655294109 /nfs/dbraw/zinc/29/41/09/655294109.db2.gz XQTQJRAQCNDCBW-MRVPVSSYSA-N 1 2 380.645 2.694 10 0 GFAELO C[N@H+]1CCO[C@H](CNC(=O)Nc2cc(Br)c(F)cc2Cl)C1 ZINC000177989371 655294116 /nfs/dbraw/zinc/29/41/16/655294116.db2.gz XQTQJRAQCNDCBW-MRVPVSSYSA-N 1 2 380.645 2.694 10 0 GFAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)NCCc2cscn2)c2cccs2)CCO1 ZINC000153724122 551459123 /nfs/dbraw/zinc/45/91/23/551459123.db2.gz QQTRNPQLKSQYHC-HIFRSBDPSA-N 1 2 380.539 2.508 10 0 GFAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)NCCc2cscn2)c2cccs2)CCO1 ZINC000153724122 551459124 /nfs/dbraw/zinc/45/91/24/551459124.db2.gz QQTRNPQLKSQYHC-HIFRSBDPSA-N 1 2 380.539 2.508 10 0 GFAELO O=C(C[N@@H+]1CCC[C@H](n2cncn2)C1)Nc1ccc(Br)cc1Cl ZINC000171701593 551661360 /nfs/dbraw/zinc/66/13/60/551661360.db2.gz DFKPXVSJVHMMRT-LBPRGKRZSA-N 1 2 398.692 2.970 10 0 GFAELO O=C(C[N@H+]1CCC[C@H](n2cncn2)C1)Nc1ccc(Br)cc1Cl ZINC000171701593 551661362 /nfs/dbraw/zinc/66/13/62/551661362.db2.gz DFKPXVSJVHMMRT-LBPRGKRZSA-N 1 2 398.692 2.970 10 0 GFAELO CC[C@@H]1CN(C(=O)c2cc3sc(N(C)C)nc3s2)CC[N@@H+]1CCOC ZINC000172229237 551673876 /nfs/dbraw/zinc/67/38/76/551673876.db2.gz UIDDBXDHBKTZMQ-GFCCVEGCSA-N 1 2 382.555 2.607 10 0 GFAELO CC[C@@H]1CN(C(=O)c2cc3sc(N(C)C)nc3s2)CC[N@H+]1CCOC ZINC000172229237 551673877 /nfs/dbraw/zinc/67/38/77/551673877.db2.gz UIDDBXDHBKTZMQ-GFCCVEGCSA-N 1 2 382.555 2.607 10 0 GFAELO C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000175950962 552132532 /nfs/dbraw/zinc/13/25/32/552132532.db2.gz WAPIRWALFBIPLR-TZMCWYRMSA-N 1 2 379.913 2.816 10 0 GFAELO C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000175950962 552132533 /nfs/dbraw/zinc/13/25/33/552132533.db2.gz WAPIRWALFBIPLR-TZMCWYRMSA-N 1 2 379.913 2.816 10 0 GFAELO CCCNC(=O)CN(C)C(=O)C[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000179539214 552195494 /nfs/dbraw/zinc/19/54/94/552195494.db2.gz FOVWVGTXGXEHLO-JTQLQIEISA-N 1 2 378.275 2.768 10 0 GFAELO C[C@@H]([NH2+]CC(=O)NCC(=O)N1CCCC1)c1c(Cl)ccc(F)c1Cl ZINC000179540049 552196195 /nfs/dbraw/zinc/19/61/95/552196195.db2.gz OWXUXNMZCRXGLD-SNVBAGLBSA-N 1 2 376.259 2.522 10 0 GFAELO Cc1cc(Br)c2c(c1)CN(C(=O)NC[C@@H](C)[NH+]1CCOCC1)CC2 ZINC000186165761 552380529 /nfs/dbraw/zinc/38/05/29/552380529.db2.gz YBMAKMFSGWULPX-CQSZACIVSA-N 1 2 396.329 2.546 10 0 GFAELO C[C@H](CN(C)C(=O)NC[C@@H]1C[N@H+](C)CCO1)Oc1ccc(Cl)c(Cl)c1 ZINC000189366124 552469467 /nfs/dbraw/zinc/46/94/67/552469467.db2.gz RZMWRBWCBRUNEX-TZMCWYRMSA-N 1 2 390.311 2.733 10 0 GFAELO C[C@H](CN(C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1)Oc1ccc(Cl)c(Cl)c1 ZINC000189366124 552469469 /nfs/dbraw/zinc/46/94/69/552469469.db2.gz RZMWRBWCBRUNEX-TZMCWYRMSA-N 1 2 390.311 2.733 10 0 GFAELO O=C(Cc1ccc(I)cc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000190963674 552515156 /nfs/dbraw/zinc/51/51/56/552515156.db2.gz HZECBOMROYBEKG-OAHLLOKOSA-N 1 2 395.244 2.721 10 0 GFAELO C[C@@H]1CN(C(=O)c2cc(Br)c(F)cc2F)C[C@@H]1[NH+]1CCOCC1 ZINC000192138865 552553055 /nfs/dbraw/zinc/55/30/55/552553055.db2.gz CNNBTVHPLLNCPU-BMIGLBTASA-N 1 2 389.240 2.520 10 0 GFAELO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246282189 553105632 /nfs/dbraw/zinc/10/56/32/553105632.db2.gz ALUCHTHCRBKAMF-DVOMOZLQSA-N 1 2 386.323 2.973 10 0 GFAELO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246282189 553105635 /nfs/dbraw/zinc/10/56/35/553105635.db2.gz ALUCHTHCRBKAMF-DVOMOZLQSA-N 1 2 386.323 2.973 10 0 GFAELO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246282189 553105639 /nfs/dbraw/zinc/10/56/39/553105639.db2.gz ALUCHTHCRBKAMF-DVOMOZLQSA-N 1 2 386.323 2.973 10 0 GFAELO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000246836649 553114156 /nfs/dbraw/zinc/11/41/56/553114156.db2.gz DEZWYISSUBIRHI-DCGLDWPTSA-N 1 2 387.307 2.940 10 0 GFAELO C[C@H]1C[N@@H+]([C@H](CNC(=O)NCCc2nccs2)c2cccs2)CCO1 ZINC000247105694 553118983 /nfs/dbraw/zinc/11/89/83/553118983.db2.gz WMFNDRGFUANECZ-UONOGXRCSA-N 1 2 380.539 2.508 10 0 GFAELO C[C@H]1C[N@H+]([C@H](CNC(=O)NCCc2nccs2)c2cccs2)CCO1 ZINC000247105694 553118985 /nfs/dbraw/zinc/11/89/85/553118985.db2.gz WMFNDRGFUANECZ-UONOGXRCSA-N 1 2 380.539 2.508 10 0 GFAELO CC[C@H]1CN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC[N@@H+]1C[C@H](C)O ZINC000249557783 553144436 /nfs/dbraw/zinc/14/44/36/553144436.db2.gz KLHLYJLLYQGVBH-RYUDHWBXSA-N 1 2 382.917 2.709 10 0 GFAELO CC[C@H]1CN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC[N@H+]1C[C@H](C)O ZINC000249557783 553144438 /nfs/dbraw/zinc/14/44/38/553144438.db2.gz KLHLYJLLYQGVBH-RYUDHWBXSA-N 1 2 382.917 2.709 10 0 GFAELO CCOC(=O)N1CCC[C@@H]([C@@H](C)Nc2nc(NC)c(Br)c[nH+]2)C1 ZINC000302538160 563426122 /nfs/dbraw/zinc/42/61/22/563426122.db2.gz NCLPKPTVCHYOFY-GHMZBOCLSA-N 1 2 386.294 2.950 10 0 GFAELO FC(F)(F)c1cnc(N2CCn3cc[nH+]c3C2)c(I)c1 ZINC000601110379 565767073 /nfs/dbraw/zinc/76/70/73/565767073.db2.gz BYTVJNIMXDWVPZ-UHFFFAOYSA-N 1 2 394.138 2.922 10 0 GFAELO CC(C)(C)OC[C@H](O)C[NH+]1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000056511951 654796587 /nfs/dbraw/zinc/79/65/87/654796587.db2.gz MMVSCKZDWFOFSU-CYBMUJFWSA-N 1 2 389.323 2.927 10 0 GFAELO COCC[N@@H+]1CCN(C(=O)[C@@H](C)Sc2nc3ccccc3s2)C[C@@H]1C ZINC000130615951 654890547 /nfs/dbraw/zinc/89/05/47/654890547.db2.gz YOJSPCMGQCEXGB-UONOGXRCSA-N 1 2 379.551 2.956 10 0 GFAELO COCC[N@H+]1CCN(C(=O)[C@@H](C)Sc2nc3ccccc3s2)C[C@@H]1C ZINC000130615951 654890549 /nfs/dbraw/zinc/89/05/49/654890549.db2.gz YOJSPCMGQCEXGB-UONOGXRCSA-N 1 2 379.551 2.956 10 0 GFAELO C[C@@H](NC(=O)N[C@@H](C)c1ccccc1Br)[C@@H](C)[NH+]1CCOCC1 ZINC000105081895 655089032 /nfs/dbraw/zinc/08/90/32/655089032.db2.gz QQQUCEVWADKKPH-HZSPNIEDSA-N 1 2 384.318 2.919 10 0 GFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccccc2Br)nc[nH+]1 ZINC000173438101 655172416 /nfs/dbraw/zinc/17/24/16/655172416.db2.gz HIZFYVDLRYQAHN-GFCCVEGCSA-N 1 2 390.285 2.680 10 0 GFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccccc2Br)[nH+]cn1 ZINC000173438101 655172417 /nfs/dbraw/zinc/17/24/17/655172417.db2.gz HIZFYVDLRYQAHN-GFCCVEGCSA-N 1 2 390.285 2.680 10 0 GFAELO CNC(=O)c1ccc([C@@H]2CCCCN2Cc2[nH+]ccn2CC(F)(F)F)n1C ZINC000328654171 206238434 /nfs/dbraw/zinc/23/84/34/206238434.db2.gz XHJGDFWLTUSUIX-AWEZNQCLSA-N 1 2 383.418 2.871 10 0 GFAELO CN(C)c1nc(N2CCOCC2)[nH+]cc1NC(=O)Nc1cccc(Cl)c1 ZINC000224146621 136206260 /nfs/dbraw/zinc/20/62/60/136206260.db2.gz SWTGZGKXGJCBQW-UHFFFAOYSA-N 1 2 376.848 2.677 10 0 GFAELO Cc1cc(N2CC[NH+](CC(=O)[O-])CC2)nc(-c2ccc(C(F)(F)F)cc2)[nH+]1 ZINC000073685682 525081686 /nfs/dbraw/zinc/08/16/86/525081686.db2.gz ZZDRLXWAOPNWTQ-UHFFFAOYSA-N 1 2 380.370 2.677 10 0 GFAELO CCC[C@@H](C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1)[NH+](C)C ZINC000131108699 551372543 /nfs/dbraw/zinc/37/25/43/551372543.db2.gz QPIPQGSOOUGRGJ-ZDUSSCGKSA-N 1 2 380.290 2.581 10 0 GFAELO CCC[C@@H](C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1)[NH+](C)C ZINC000131108699 551372545 /nfs/dbraw/zinc/37/25/45/551372545.db2.gz QPIPQGSOOUGRGJ-ZDUSSCGKSA-N 1 2 380.290 2.581 10 0 GFAELO CC(C)(C)c1csc([C@@H]2C[N@H+](CCCNC(=O)C(F)(F)F)CCO2)n1 ZINC000154791133 551482978 /nfs/dbraw/zinc/48/29/78/551482978.db2.gz JMRTXMFNHFOATI-NSHDSACASA-N 1 2 379.448 2.883 10 0 GFAELO CC(C)(C)c1csc([C@@H]2C[N@@H+](CCCNC(=O)C(F)(F)F)CCO2)n1 ZINC000154791133 551482979 /nfs/dbraw/zinc/48/29/79/551482979.db2.gz JMRTXMFNHFOATI-NSHDSACASA-N 1 2 379.448 2.883 10 0 GFAELO C[C@H](NS(=O)(=O)c1cc(Cl)cnc1N)c1cccc(-n2cc[nH+]c2)c1 ZINC000155118226 551491756 /nfs/dbraw/zinc/49/17/56/551491756.db2.gz XZYWPZYPDOQAAA-NSHDSACASA-N 1 2 377.857 2.542 10 0 GFAELO C[C@H]1CN(C(=O)c2ccc(Br)c(Cl)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000157999159 551545702 /nfs/dbraw/zinc/54/57/02/551545702.db2.gz KHWIZROLNBJKAC-NHYWBVRUSA-N 1 2 387.705 2.895 10 0 GFAELO C[C@@H]1CN(C(=O)C(C)(C)c2ccc(Br)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000173843400 552093688 /nfs/dbraw/zinc/09/36/88/552093688.db2.gz QUKLTNHKKSXYBQ-RHSMWYFYSA-N 1 2 395.341 2.906 10 0 GFAELO C[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000173839548 552093950 /nfs/dbraw/zinc/09/39/50/552093950.db2.gz VKRUVBDDXKABFF-RHSMWYFYSA-N 1 2 393.325 2.660 10 0 GFAELO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1cc2c(cc1Br)OCCCO2 ZINC000182006388 552272818 /nfs/dbraw/zinc/27/28/18/552272818.db2.gz YJGXTILRRJMNQN-CQSZACIVSA-N 1 2 383.286 2.663 10 0 GFAELO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1cc2c(cc1Br)OCCCO2 ZINC000182006388 552272821 /nfs/dbraw/zinc/27/28/21/552272821.db2.gz YJGXTILRRJMNQN-CQSZACIVSA-N 1 2 383.286 2.663 10 0 GFAELO O=C(c1ccoc1Br)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000193555923 552996839 /nfs/dbraw/zinc/99/68/39/552996839.db2.gz SGECSYPNQPEJKV-OAHLLOKOSA-N 1 2 379.254 2.534 10 0 GFAELO NC(=O)[C@@H](c1ccc(Br)cc1)N1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000245928678 553099842 /nfs/dbraw/zinc/09/98/42/553099842.db2.gz XRXYUUSAIPETOS-SUMWQHHRSA-N 1 2 389.297 2.805 10 0 GFAELO C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 ZINC000261877357 553161738 /nfs/dbraw/zinc/16/17/38/553161738.db2.gz DXAOLEOCBGWEOD-CLAHSXSESA-N 1 2 399.676 2.808 10 0 GFAELO C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000261870200 553161839 /nfs/dbraw/zinc/16/18/39/553161839.db2.gz DBOBRWWRPUXAAL-YGRLFVJLSA-N 1 2 396.310 2.812 10 0 GFAELO CNc1nc(N[C@@H]2CCN(Cc3ccc(C)cc3)C2=O)[nH+]cc1Br ZINC000302682626 563428277 /nfs/dbraw/zinc/42/82/77/563428277.db2.gz AHLJPCIIUAQHHM-CQSZACIVSA-N 1 2 390.285 2.802 10 0 GFAELO Cc1ccc2[nH]c(=O)c(CCC(=O)N3CCN(c4cccc[nH+]4)CC3)cc2c1 ZINC000041186702 570661818 /nfs/dbraw/zinc/66/18/18/570661818.db2.gz MHBCTXOBVPVOQN-UHFFFAOYSA-N 1 2 376.460 2.513 10 0 GFAELO O=C(NCCc1cccc2ccccc21)c1cc(C[N@H+]2CCC[C@H](O)C2)on1 ZINC000012596768 570689687 /nfs/dbraw/zinc/68/96/87/570689687.db2.gz QFHXDIOOYRWTPZ-SFHVURJKSA-N 1 2 379.460 2.757 10 0 GFAELO O=C(NCCc1cccc2ccccc21)c1cc(C[N@@H+]2CCC[C@H](O)C2)on1 ZINC000012596768 570689689 /nfs/dbraw/zinc/68/96/89/570689689.db2.gz QFHXDIOOYRWTPZ-SFHVURJKSA-N 1 2 379.460 2.757 10 0 GFAELO CC[C@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)Cc1cccc(Br)c1 ZINC000132171335 654927470 /nfs/dbraw/zinc/92/74/70/654927470.db2.gz FNAHBAXNILXGPB-WMLDXEAASA-N 1 2 398.345 2.648 10 0 GFAELO CC[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)Cc1cccc(Br)c1 ZINC000132171335 654927476 /nfs/dbraw/zinc/92/74/76/654927476.db2.gz FNAHBAXNILXGPB-WMLDXEAASA-N 1 2 398.345 2.648 10 0 GFAELO Cc1ncc(C[NH+]2CCN(Cn3c(=O)oc4ccc(Cl)cc43)CC2)s1 ZINC000171890241 655155187 /nfs/dbraw/zinc/15/51/87/655155187.db2.gz UCDSHYZJBUQYHX-UHFFFAOYSA-N 1 2 378.885 2.788 10 0 GFAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2nc(Cl)ccc2Cl)nc[nH+]1 ZINC000173444709 655172838 /nfs/dbraw/zinc/17/28/38/655172838.db2.gz JHXOTJKEROMVJD-JTQLQIEISA-N 1 2 381.267 2.619 10 0 GFAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2nc(Cl)ccc2Cl)[nH+]cn1 ZINC000173444709 655172840 /nfs/dbraw/zinc/17/28/40/655172840.db2.gz JHXOTJKEROMVJD-JTQLQIEISA-N 1 2 381.267 2.619 10 0 GFAELO Cc1cc(S(=O)(=O)N2CCC[C@H]2Cn2cc[nH+]c2)sc1Br ZINC000176950158 655263456 /nfs/dbraw/zinc/26/34/56/655263456.db2.gz ATEHEKZHTMTTEH-NSHDSACASA-N 1 2 390.328 2.869 10 0 GFAELO O=C(c1ccc(I)c(F)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177750863 655287374 /nfs/dbraw/zinc/28/73/74/655287374.db2.gz WDMHXCCOUXVRSG-GFCCVEGCSA-N 1 2 399.207 2.932 10 0 GFAELO C[C@H]1C[N@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)CCS1 ZINC000246100550 655428999 /nfs/dbraw/zinc/42/89/99/655428999.db2.gz HXGBMZRGYFOEJL-ZBEGNZNMSA-N 1 2 398.326 2.611 10 0 GFAELO C[C@H]1C[N@@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)CCS1 ZINC000246100550 655429001 /nfs/dbraw/zinc/42/90/01/655429001.db2.gz HXGBMZRGYFOEJL-ZBEGNZNMSA-N 1 2 398.326 2.611 10 0 GFAELO C[N@H+](Cc1cc[nH]n1)Cc1cccc(-c2nc(C3CCOCC3)cc(=O)[nH]2)c1 ZINC000023543774 206252528 /nfs/dbraw/zinc/25/25/28/206252528.db2.gz VFSAZNNNNXKVBF-UHFFFAOYSA-N 1 2 379.464 2.686 10 0 GFAELO C[N@@H+](Cc1cc[nH]n1)Cc1cccc(-c2nc(C3CCOCC3)cc(=O)[nH]2)c1 ZINC000023543774 206252533 /nfs/dbraw/zinc/25/25/33/206252533.db2.gz VFSAZNNNNXKVBF-UHFFFAOYSA-N 1 2 379.464 2.686 10 0 GFAELO O=C(c1ccc(NCCc2ccccn2)nc1)N1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000020325460 207188229 /nfs/dbraw/zinc/18/82/29/207188229.db2.gz UJROMDQAZQJIIP-SFHVURJKSA-N 1 2 390.491 2.880 10 0 GFAELO CC(C)n1cc[nH+]c1CS(=O)(=O)CC(=O)N[C@H](C)c1ccccc1Cl ZINC000107075404 551201372 /nfs/dbraw/zinc/20/13/72/551201372.db2.gz DJMSVYSEGNXVLI-CYBMUJFWSA-N 1 2 383.901 2.910 10 0 GFAELO OC[C@@H]1CCCN1c1cc(NCCOc2cccc(Br)c2)[nH+]cn1 ZINC000110257308 551203478 /nfs/dbraw/zinc/20/34/78/551203478.db2.gz KQPKLWBPXLIGDY-AWEZNQCLSA-N 1 2 393.285 2.691 10 0 GFAELO OC[C@@H]1CCCN1c1cc(NCCOc2cccc(Br)c2)nc[nH+]1 ZINC000110257308 551203481 /nfs/dbraw/zinc/20/34/81/551203481.db2.gz KQPKLWBPXLIGDY-AWEZNQCLSA-N 1 2 393.285 2.691 10 0 GFAELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)C[C@@H]1C ZINC000117368745 551214066 /nfs/dbraw/zinc/21/40/66/551214066.db2.gz YCWUXCXBOACOEF-LBPRGKRZSA-N 1 2 381.325 2.725 10 0 GFAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)C[C@@H]1C ZINC000117368745 551214067 /nfs/dbraw/zinc/21/40/67/551214067.db2.gz YCWUXCXBOACOEF-LBPRGKRZSA-N 1 2 381.325 2.725 10 0 GFAELO Brc1cccc(-c2c[nH]c(C[N@@H+]3CC[C@H](N4CCOCC4)C3)n2)c1 ZINC000120960734 551223926 /nfs/dbraw/zinc/22/39/26/551223926.db2.gz ITFJJWZVOBEIOS-INIZCTEOSA-N 1 2 391.313 2.746 10 0 GFAELO Brc1cccc(-c2c[nH]c(C[N@H+]3CC[C@H](N4CCOCC4)C3)n2)c1 ZINC000120960734 551223928 /nfs/dbraw/zinc/22/39/28/551223928.db2.gz ITFJJWZVOBEIOS-INIZCTEOSA-N 1 2 391.313 2.746 10 0 GFAELO Brc1cccc(-c2c[nH]c(CN3CC[C@H]([NH+]4CCOCC4)C3)n2)c1 ZINC000120960734 551223930 /nfs/dbraw/zinc/22/39/30/551223930.db2.gz ITFJJWZVOBEIOS-INIZCTEOSA-N 1 2 391.313 2.746 10 0 GFAELO Cc1cnn(C[C@H]2CN(Cc3c[nH+]c4ccc(Br)cn34)CCO2)c1 ZINC000122359796 551297317 /nfs/dbraw/zinc/29/73/17/551297317.db2.gz AQXQXXCGBQHWKS-MRXNPFEDSA-N 1 2 390.285 2.503 10 0 GFAELO C[C@H](CNC(=O)NCC1(c2ccccc2Br)CC1)[NH+]1CCOCC1 ZINC000154452585 551475721 /nfs/dbraw/zinc/47/57/21/551475721.db2.gz ILJPUIHVWKTDCD-CQSZACIVSA-N 1 2 396.329 2.501 10 0 GFAELO NC(=O)[C@H](c1cccc(Br)c1)N1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000159136565 551561444 /nfs/dbraw/zinc/56/14/44/551561444.db2.gz BCMHORCHXLTLKJ-GUYCJALGSA-N 1 2 389.297 2.805 10 0 GFAELO C[C@@H]1CN(C(=O)CSc2cccc(Br)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000164091740 551624309 /nfs/dbraw/zinc/62/43/09/551624309.db2.gz DXCNRQRIQQHVDU-CJNGLKHVSA-N 1 2 399.354 2.720 10 0 GFAELO Brc1csc(-c2noc(C[N@@H+]3CCC[C@@H](n4cncn4)C3)n2)c1 ZINC000171706020 551661498 /nfs/dbraw/zinc/66/14/98/551661498.db2.gz OTXMWGSTMKNCDJ-LLVKDONJSA-N 1 2 395.286 2.989 10 0 GFAELO Brc1csc(-c2noc(C[N@H+]3CCC[C@@H](n4cncn4)C3)n2)c1 ZINC000171706020 551661501 /nfs/dbraw/zinc/66/15/01/551661501.db2.gz OTXMWGSTMKNCDJ-LLVKDONJSA-N 1 2 395.286 2.989 10 0 GFAELO C[C@H]1C[N@H+](CC(=O)Nc2ccc(I)cc2)CCS1 ZINC000171702682 551661649 /nfs/dbraw/zinc/66/16/49/551661649.db2.gz CIEUYJAVKYAOLW-JTQLQIEISA-N 1 2 376.263 2.667 10 0 GFAELO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(I)cc2)CCS1 ZINC000171702682 551661652 /nfs/dbraw/zinc/66/16/52/551661652.db2.gz CIEUYJAVKYAOLW-JTQLQIEISA-N 1 2 376.263 2.667 10 0 GFAELO C[C@H]1CN(C(=O)c2[nH]c3ccccc3c2Br)C[C@@H]1[NH+]1CCOCC1 ZINC000173395863 552084981 /nfs/dbraw/zinc/08/49/81/552084981.db2.gz RCZMTWQMHASMFI-WFASDCNBSA-N 1 2 392.297 2.723 10 0 GFAELO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000173844496 552093603 /nfs/dbraw/zinc/09/36/03/552093603.db2.gz HUFVQURRGVZYRP-PILAGYSTSA-N 1 2 393.325 2.732 10 0 GFAELO CCn1cc[nH+]c1CS(=O)(=O)c1nnc(-c2cccc(Cl)c2)n1CC ZINC000177311596 552152785 /nfs/dbraw/zinc/15/27/85/552152785.db2.gz BAMBHTCRMNWXCB-UHFFFAOYSA-N 1 2 379.873 2.809 10 0 GFAELO C[C@@H](CNC(=O)c1ccc(Br)cc1C(F)(F)F)[NH+]1CCOCC1 ZINC000180385184 552225008 /nfs/dbraw/zinc/22/50/08/552225008.db2.gz GYJFIMPMOJPHLH-JTQLQIEISA-N 1 2 395.219 2.918 10 0 GFAELO Cc1nc(CN2CCC[N@H+](Cc3c(F)cccc3Br)CC2)no1 ZINC000180478899 552227618 /nfs/dbraw/zinc/22/76/18/552227618.db2.gz JRPXPRSVSVCKIG-UHFFFAOYSA-N 1 2 383.265 2.988 10 0 GFAELO Cc1nc(CN2CCC[N@@H+](Cc3c(F)cccc3Br)CC2)no1 ZINC000180478899 552227619 /nfs/dbraw/zinc/22/76/19/552227619.db2.gz JRPXPRSVSVCKIG-UHFFFAOYSA-N 1 2 383.265 2.988 10 0 GFAELO Brc1cc2c(cc1CN1CC[C@H]([NH+]3CCOCC3)C1)OCCCO2 ZINC000182357255 552281926 /nfs/dbraw/zinc/28/19/26/552281926.db2.gz PZZMQOGCOQEPDL-HNNXBMFYSA-N 1 2 397.313 2.517 10 0 GFAELO COC(=O)[C@H](c1cccc(Cl)c1Cl)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000183602280 552314397 /nfs/dbraw/zinc/31/43/97/552314397.db2.gz KJDDLMGHDJYFKW-NUTKFTJISA-N 1 2 387.307 2.860 10 0 GFAELO CC(=O)N(c1nc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cs1)C1CC1 ZINC000188055840 552432960 /nfs/dbraw/zinc/43/29/60/552432960.db2.gz VLLNGQWOIGNRQA-YOEHRIQHSA-N 1 2 377.535 2.928 10 0 GFAELO CC(=O)N(c1nc(C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cs1)C1CC1 ZINC000188055840 552432963 /nfs/dbraw/zinc/43/29/63/552432963.db2.gz VLLNGQWOIGNRQA-YOEHRIQHSA-N 1 2 377.535 2.928 10 0 GFAELO C[C@@H]1CC[N@H+](Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)[C@@H]1CO ZINC000190442468 552496641 /nfs/dbraw/zinc/49/66/41/552496641.db2.gz AJONICPVIVXLBM-NOZJJQNGSA-N 1 2 375.782 2.537 10 0 GFAELO C[C@@H]1CC[N@@H+](Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)[C@@H]1CO ZINC000190442468 552496643 /nfs/dbraw/zinc/49/66/43/552496643.db2.gz AJONICPVIVXLBM-NOZJJQNGSA-N 1 2 375.782 2.537 10 0 GFAELO Cc1ccc([C@@H](CNC(=O)N2CCSC[C@H](C)C2)[NH+]2CCOCC2)s1 ZINC000192385595 552561307 /nfs/dbraw/zinc/56/13/07/552561307.db2.gz PEZRHYRVRXXFDX-GDBMZVCRSA-N 1 2 383.583 2.824 10 0 GFAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)CSCC(F)(F)F)c2cccs2)CCO1 ZINC000245586730 553093317 /nfs/dbraw/zinc/09/33/17/553093317.db2.gz MOSQLVITBZYYMB-VXGBXAGGSA-N 1 2 382.473 2.922 10 0 GFAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)CSCC(F)(F)F)c2cccs2)CCO1 ZINC000245586730 553093320 /nfs/dbraw/zinc/09/33/20/553093320.db2.gz MOSQLVITBZYYMB-VXGBXAGGSA-N 1 2 382.473 2.922 10 0 GFAELO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000246064344 553101467 /nfs/dbraw/zinc/10/14/67/553101467.db2.gz ASEDZEPEEDXIRG-DZGCQCFKSA-N 1 2 399.310 2.719 10 0 GFAELO O[C@H](COc1ccc(Br)cc1)C[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000246064344 553101470 /nfs/dbraw/zinc/10/14/70/553101470.db2.gz ASEDZEPEEDXIRG-DZGCQCFKSA-N 1 2 399.310 2.719 10 0 GFAELO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246903920 553115156 /nfs/dbraw/zinc/11/51/56/553115156.db2.gz HYQVQVKGBGZAOY-GDZNZVCISA-N 1 2 387.307 2.940 10 0 GFAELO C[N@H+](CC(=O)[O-])[C@@H]1CCC[NH+](CCOc2ccccc2Br)CC1 ZINC000263581164 553189594 /nfs/dbraw/zinc/18/95/94/553189594.db2.gz WVARCZVPKLUNER-CQSZACIVSA-N 1 2 385.302 2.699 10 0 GFAELO C[N@@H+](CC(=O)[O-])[C@@H]1CCC[NH+](CCOc2ccccc2Br)CC1 ZINC000263581164 553189596 /nfs/dbraw/zinc/18/95/96/553189596.db2.gz WVARCZVPKLUNER-CQSZACIVSA-N 1 2 385.302 2.699 10 0 GFAELO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@H+](CCOc2ccccc2Br)CC1 ZINC000263581164 553189598 /nfs/dbraw/zinc/18/95/98/553189598.db2.gz WVARCZVPKLUNER-CQSZACIVSA-N 1 2 385.302 2.699 10 0 GFAELO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@@H+](CCOc2ccccc2Br)CC1 ZINC000263581164 553189599 /nfs/dbraw/zinc/18/95/99/553189599.db2.gz WVARCZVPKLUNER-CQSZACIVSA-N 1 2 385.302 2.699 10 0 GFAELO CCCNc1ncc(C[N@@H+]2CCn3nc([C@H](O)c4ccccc4)cc3C2)cn1 ZINC000220488211 570387060 /nfs/dbraw/zinc/38/70/60/570387060.db2.gz XVRLCJIIYGCJIR-HXUWFJFHSA-N 1 2 378.480 2.593 10 0 GFAELO CCCNc1ncc(C[N@H+]2CCn3nc([C@H](O)c4ccccc4)cc3C2)cn1 ZINC000220488211 570387065 /nfs/dbraw/zinc/38/70/65/570387065.db2.gz XVRLCJIIYGCJIR-HXUWFJFHSA-N 1 2 378.480 2.593 10 0 GFAELO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000046058467 654674412 /nfs/dbraw/zinc/67/44/12/654674412.db2.gz FDGGKGXFVUADDD-AWEZNQCLSA-N 1 2 389.323 2.927 10 0 GFAELO COC(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC000066832087 654916883 /nfs/dbraw/zinc/91/68/83/654916883.db2.gz QXUOHMGGUYWHCU-SECBINFHSA-N 1 2 386.271 2.946 10 0 GFAELO COC(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC000066832087 654916884 /nfs/dbraw/zinc/91/68/84/654916884.db2.gz QXUOHMGGUYWHCU-SECBINFHSA-N 1 2 386.271 2.946 10 0 GFAELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)nc2Cl)C[C@H]1CC ZINC000172030334 655155939 /nfs/dbraw/zinc/15/59/39/655155939.db2.gz ZMLWODYVCMRKNU-GFCCVEGCSA-N 1 2 396.340 2.510 10 0 GFAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2ccc(Cl)nc2Cl)C[C@H]1CC ZINC000172030334 655155941 /nfs/dbraw/zinc/15/59/41/655155941.db2.gz ZMLWODYVCMRKNU-GFCCVEGCSA-N 1 2 396.340 2.510 10 0 GFAELO COCC[N@@H+]1CCN(C(=O)c2sc(C)c(Br)c2OC)C[C@@H]1C ZINC000173549023 655174352 /nfs/dbraw/zinc/17/43/52/655174352.db2.gz JYUBLPPAFNZENF-JTQLQIEISA-N 1 2 391.331 2.620 10 0 GFAELO COCC[N@H+]1CCN(C(=O)c2sc(C)c(Br)c2OC)C[C@@H]1C ZINC000173549023 655174354 /nfs/dbraw/zinc/17/43/54/655174354.db2.gz JYUBLPPAFNZENF-JTQLQIEISA-N 1 2 391.331 2.620 10 0 GFAELO O=C(c1n[nH]c2ccccc21)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000328615957 206232891 /nfs/dbraw/zinc/23/28/91/206232891.db2.gz BFTGYMPEVZNTRN-HNNXBMFYSA-N 1 2 377.448 2.852 10 0 GFAELO O=C(CC[C@@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1)NCc1cccnc1 ZINC000065245172 136161386 /nfs/dbraw/zinc/16/13/86/136161386.db2.gz QHYLLJHBOSHNFB-INIZCTEOSA-N 1 2 380.496 2.759 10 0 GFAELO O=C(CC[C@@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1)NCc1cccnc1 ZINC000065245172 136161387 /nfs/dbraw/zinc/16/13/87/136161387.db2.gz QHYLLJHBOSHNFB-INIZCTEOSA-N 1 2 380.496 2.759 10 0 GFAELO C[C@@H](CNC(=O)NC(C)(C)Cc1ccc(Br)cc1)[NH+]1CCOCC1 ZINC000067389268 551188291 /nfs/dbraw/zinc/18/82/91/551188291.db2.gz RGFMKLCHNUKPMS-AWEZNQCLSA-N 1 2 398.345 2.790 10 0 GFAELO Cn1cc([C@@H]2CC[N@H+](CC(=O)Nc3ccc(Br)cc3F)C2)cn1 ZINC000116321853 551211645 /nfs/dbraw/zinc/21/16/45/551211645.db2.gz OWZNXCNWOMCFNT-LLVKDONJSA-N 1 2 381.249 2.750 10 0 GFAELO Cn1cc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(Br)cc3F)C2)cn1 ZINC000116321853 551211648 /nfs/dbraw/zinc/21/16/48/551211648.db2.gz OWZNXCNWOMCFNT-LLVKDONJSA-N 1 2 381.249 2.750 10 0 GFAELO Cn1cc([C@H]2CC[N@H+](CCS(=O)(=O)c3cc(Cl)ccc3Cl)C2)cn1 ZINC000116311125 551212027 /nfs/dbraw/zinc/21/20/27/551212027.db2.gz KXZJURBUVVYGLZ-LBPRGKRZSA-N 1 2 388.320 2.990 10 0 GFAELO Cn1cc([C@H]2CC[N@@H+](CCS(=O)(=O)c3cc(Cl)ccc3Cl)C2)cn1 ZINC000116311125 551212029 /nfs/dbraw/zinc/21/20/29/551212029.db2.gz KXZJURBUVVYGLZ-LBPRGKRZSA-N 1 2 388.320 2.990 10 0 GFAELO C[C@H](CNC(=O)CCCc1ccc(Br)s1)[NH+]1CCOCC1 ZINC000121711660 551240454 /nfs/dbraw/zinc/24/04/54/551240454.db2.gz HOLKEKGBMPIDGV-GFCCVEGCSA-N 1 2 375.332 2.670 10 0 GFAELO C[C@H](Sc1nc2ccccc2s1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000126442505 551330072 /nfs/dbraw/zinc/33/00/72/551330072.db2.gz KYTNMWRJGBKJQP-KBPBESRZSA-N 1 2 377.535 2.710 10 0 GFAELO CC(=O)N[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000153894300 551462663 /nfs/dbraw/zinc/46/26/63/551462663.db2.gz XNLRWGYAZOCPCC-OAHLLOKOSA-N 1 2 377.286 2.940 10 0 GFAELO CC(=O)N[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000153894300 551462665 /nfs/dbraw/zinc/46/26/65/551462665.db2.gz XNLRWGYAZOCPCC-OAHLLOKOSA-N 1 2 377.286 2.940 10 0 GFAELO C[C@H](CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000154035939 551466087 /nfs/dbraw/zinc/46/60/87/551466087.db2.gz PAZUOZYFYITYAO-PBHICJAKSA-N 1 2 381.314 2.876 10 0 GFAELO C[C@@H](CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000154036087 551466143 /nfs/dbraw/zinc/46/61/43/551466143.db2.gz PAZUOZYFYITYAO-WMLDXEAASA-N 1 2 381.314 2.876 10 0 GFAELO Cc1nc(C[C@H]2CCC[N@@H+]([C@H](C(N)=O)c3cccc(Br)c3)C2)no1 ZINC000156563295 551525020 /nfs/dbraw/zinc/52/50/20/551525020.db2.gz JAHPWTIKCLKUEF-WBMJQRKESA-N 1 2 393.285 2.622 10 0 GFAELO Cc1nc(C[C@H]2CCC[N@H+]([C@H](C(N)=O)c3cccc(Br)c3)C2)no1 ZINC000156563295 551525022 /nfs/dbraw/zinc/52/50/22/551525022.db2.gz JAHPWTIKCLKUEF-WBMJQRKESA-N 1 2 393.285 2.622 10 0 GFAELO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000171665464 551660222 /nfs/dbraw/zinc/66/02/22/551660222.db2.gz ASEDZEPEEDXIRG-ZFWWWQNUSA-N 1 2 399.310 2.719 10 0 GFAELO O[C@H](COc1ccc(Br)cc1)C[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000171665464 551660225 /nfs/dbraw/zinc/66/02/25/551660225.db2.gz ASEDZEPEEDXIRG-ZFWWWQNUSA-N 1 2 399.310 2.719 10 0 GFAELO O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172758313 551686292 /nfs/dbraw/zinc/68/62/92/551686292.db2.gz SGWNTBHENFFBIF-NSHDSACASA-N 1 2 393.698 2.959 10 0 GFAELO CC[C@H](NC(=O)NC[C@H](C)[NH+]1CCOCC1)c1nc(C(F)(F)F)cs1 ZINC000173826017 552093094 /nfs/dbraw/zinc/09/30/94/552093094.db2.gz BFFZMMJQXZHALC-QWRGUYRKSA-N 1 2 380.436 2.633 10 0 GFAELO COc1cc(Br)cc(C)c1NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173876655 552095064 /nfs/dbraw/zinc/09/50/64/552095064.db2.gz CTARURVDGDKPED-AWEZNQCLSA-N 1 2 398.301 2.705 10 0 GFAELO CCc1cnc(CNC(=O)N2CCC[N@H+](Cc3csc(C)n3)CC2)s1 ZINC000174165504 552101160 /nfs/dbraw/zinc/10/11/60/552101160.db2.gz SITJIFORSRJUDP-UHFFFAOYSA-N 1 2 379.555 2.888 10 0 GFAELO CCc1cnc(CNC(=O)N2CCC[N@@H+](Cc3csc(C)n3)CC2)s1 ZINC000174165504 552101162 /nfs/dbraw/zinc/10/11/62/552101162.db2.gz SITJIFORSRJUDP-UHFFFAOYSA-N 1 2 379.555 2.888 10 0 GFAELO Cc1ccc([C@H](CNC(=O)N2CCSC[C@@H](C)C2)[NH+]2CCOCC2)s1 ZINC000192385610 552561440 /nfs/dbraw/zinc/56/14/40/552561440.db2.gz PEZRHYRVRXXFDX-HOCLYGCPSA-N 1 2 383.583 2.824 10 0 GFAELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3ccoc3Br)CC2)cn1 ZINC000193556470 552996850 /nfs/dbraw/zinc/99/68/50/552996850.db2.gz YOPPTNWRWDSLLR-UHFFFAOYSA-N 1 2 381.274 2.607 10 0 GFAELO CCn1cc(C[N@H+]2CCCN(C(=O)c3ccoc3Br)CC2)cn1 ZINC000193556470 552996851 /nfs/dbraw/zinc/99/68/51/552996851.db2.gz YOPPTNWRWDSLLR-UHFFFAOYSA-N 1 2 381.274 2.607 10 0 GFAELO COC(=O)c1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H](C(F)(F)F)C2)C1=O ZINC000245496502 553091496 /nfs/dbraw/zinc/09/14/96/553091496.db2.gz RMWBFBCSOICSDF-PWSUYJOCSA-N 1 2 376.400 2.914 10 0 GFAELO COC(=O)c1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H](C(F)(F)F)C2)C1=O ZINC000245496502 553091498 /nfs/dbraw/zinc/09/14/98/553091498.db2.gz RMWBFBCSOICSDF-PWSUYJOCSA-N 1 2 376.400 2.914 10 0 GFAELO C[C@@H]1CN(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)CCS1 ZINC000245755046 553096359 /nfs/dbraw/zinc/09/63/59/553096359.db2.gz OVJOHRWQDXYDJE-XYPHTWIQSA-N 1 2 383.945 2.859 10 0 GFAELO C[C@@H]1CN(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)CCS1 ZINC000245755046 553096361 /nfs/dbraw/zinc/09/63/61/553096361.db2.gz OVJOHRWQDXYDJE-XYPHTWIQSA-N 1 2 383.945 2.859 10 0 GFAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000246393165 553107302 /nfs/dbraw/zinc/10/73/02/553107302.db2.gz IYOQXPZTXKULRJ-CVEARBPZSA-N 1 2 382.302 2.626 10 0 GFAELO C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000246393165 553107307 /nfs/dbraw/zinc/10/73/07/553107307.db2.gz IYOQXPZTXKULRJ-CVEARBPZSA-N 1 2 382.302 2.626 10 0 GFAELO O=C(NCCc1cccc2ccccc21)c1cc(C[N@H+]2CCC[C@@H](O)C2)on1 ZINC000012596764 570689492 /nfs/dbraw/zinc/68/94/92/570689492.db2.gz QFHXDIOOYRWTPZ-GOSISDBHSA-N 1 2 379.460 2.757 10 0 GFAELO O=C(NCCc1cccc2ccccc21)c1cc(C[N@@H+]2CCC[C@@H](O)C2)on1 ZINC000012596764 570689495 /nfs/dbraw/zinc/68/94/95/570689495.db2.gz QFHXDIOOYRWTPZ-GOSISDBHSA-N 1 2 379.460 2.757 10 0 GFAELO CN(C)[C@@H]1CC[N@H+](Cc2ccc(C(=O)Nc3ccc4c(cnn4C)c3)cc2)C1 ZINC000065457086 570769698 /nfs/dbraw/zinc/76/96/98/570769698.db2.gz UUFJWNMWUYMRPO-HXUWFJFHSA-N 1 2 377.492 2.962 10 0 GFAELO CN(C)[C@@H]1CC[N@@H+](Cc2ccc(C(=O)Nc3ccc4c(cnn4C)c3)cc2)C1 ZINC000065457086 570769701 /nfs/dbraw/zinc/76/97/01/570769701.db2.gz UUFJWNMWUYMRPO-HXUWFJFHSA-N 1 2 377.492 2.962 10 0 GFAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000104797639 655086970 /nfs/dbraw/zinc/08/69/70/655086970.db2.gz IYOQXPZTXKULRJ-HZPDHXFCSA-N 1 2 382.302 2.626 10 0 GFAELO C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000104797639 655086971 /nfs/dbraw/zinc/08/69/71/655086971.db2.gz IYOQXPZTXKULRJ-HZPDHXFCSA-N 1 2 382.302 2.626 10 0 GFAELO FC(F)Oc1ccc(Br)cc1CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173905869 655184682 /nfs/dbraw/zinc/18/46/82/655184682.db2.gz PETXRHHDTUZFLH-CQSZACIVSA-N 1 2 391.256 2.957 10 0 GFAELO CC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000117236806 655261987 /nfs/dbraw/zinc/26/19/87/655261987.db2.gz QLQDCXVFLDZGMQ-GOEBONIOSA-N 1 2 383.330 2.855 10 0 GFAELO C[NH+]1CCN(C(=O)CSCc2nc3cccnc3n2C2CCCCC2)CC1 ZINC000021650931 207233800 /nfs/dbraw/zinc/23/38/00/207233800.db2.gz CMFDATDKMLUPJO-UHFFFAOYSA-N 1 2 387.553 2.944 10 0 GFAELO COc1ccc(Nc2nc(N3CCOCC3)[nH+]c(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000032603944 207399077 /nfs/dbraw/zinc/39/90/77/207399077.db2.gz CNMNVZNLIVAHIQ-HOTGVXAUSA-N 1 2 398.511 2.943 10 0 GFAELO OC[C@@H]1CCCN1c1cc(NCc2cc(F)cc(Br)c2)[nH+]cn1 ZINC000110254756 551203843 /nfs/dbraw/zinc/20/38/43/551203843.db2.gz LMEJSFXUZFXTCE-AWEZNQCLSA-N 1 2 381.249 2.951 10 0 GFAELO OC[C@@H]1CCCN1c1cc(NCc2cc(F)cc(Br)c2)nc[nH+]1 ZINC000110254756 551203845 /nfs/dbraw/zinc/20/38/45/551203845.db2.gz LMEJSFXUZFXTCE-AWEZNQCLSA-N 1 2 381.249 2.951 10 0 GFAELO CCc1nc(CNC(=O)N2CCC[N@H+](Cc3csc(C)n3)CC2)cs1 ZINC000116431110 551213530 /nfs/dbraw/zinc/21/35/30/551213530.db2.gz FRFPXBZUXJVAEC-UHFFFAOYSA-N 1 2 379.555 2.888 10 0 GFAELO CCc1nc(CNC(=O)N2CCC[N@@H+](Cc3csc(C)n3)CC2)cs1 ZINC000116431110 551213531 /nfs/dbraw/zinc/21/35/31/551213531.db2.gz FRFPXBZUXJVAEC-UHFFFAOYSA-N 1 2 379.555 2.888 10 0 GFAELO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000123128654 551303519 /nfs/dbraw/zinc/30/35/19/551303519.db2.gz NLHIAFFWBZXNQM-DZGCQCFKSA-N 1 2 399.304 2.700 10 0 GFAELO O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000173836299 552093667 /nfs/dbraw/zinc/09/36/67/552093667.db2.gz GQTUYRAKJBWXMQ-LLVKDONJSA-N 1 2 391.827 2.991 10 0 GFAELO COC(=O)c1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@H](C(F)(F)F)C2)C1=O ZINC000173857227 552094881 /nfs/dbraw/zinc/09/48/81/552094881.db2.gz RMWBFBCSOICSDF-CMPLNLGQSA-N 1 2 376.400 2.914 10 0 GFAELO COC(=O)c1ccsc1N1CC[C@@H]([N@H+]2CCC[C@H](C(F)(F)F)C2)C1=O ZINC000173857227 552094882 /nfs/dbraw/zinc/09/48/82/552094882.db2.gz RMWBFBCSOICSDF-CMPLNLGQSA-N 1 2 376.400 2.914 10 0 GFAELO CCc1nnc(NC(=O)NC[C@H](c2ccc(C)s2)[NH+]2CCOCC2)s1 ZINC000175086171 552115494 /nfs/dbraw/zinc/11/54/94/552115494.db2.gz ISEHGEOGRLFOAT-GFCCVEGCSA-N 1 2 381.527 2.665 10 0 GFAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)c3occc3Br)CC2)cn1 ZINC000176011767 552134550 /nfs/dbraw/zinc/13/45/50/552134550.db2.gz ZTEXQRDVHFRJOE-UHFFFAOYSA-N 1 2 395.301 2.997 10 0 GFAELO CCCn1cc(C[N@H+]2CCCN(C(=O)c3occc3Br)CC2)cn1 ZINC000176011767 552134553 /nfs/dbraw/zinc/13/45/53/552134553.db2.gz ZTEXQRDVHFRJOE-UHFFFAOYSA-N 1 2 395.301 2.997 10 0 GFAELO C[C@H](N1CC[NH+](C[C@@H](O)COCc2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000178268123 552167963 /nfs/dbraw/zinc/16/79/63/552167963.db2.gz PJSQCPNQXYVGAC-XJKSGUPXSA-N 1 2 380.838 2.786 10 0 GFAELO Cc1cc(F)c(Br)cc1NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000190875323 552512066 /nfs/dbraw/zinc/51/20/66/552512066.db2.gz KZHHVPCMIXBHDD-LBPRGKRZSA-N 1 2 386.265 2.835 10 0 GFAELO C[C@@H]1CN(C(=O)c2cc(Br)c(F)cc2F)C[C@H]1[NH+]1CCOCC1 ZINC000192138880 552553096 /nfs/dbraw/zinc/55/30/96/552553096.db2.gz CNNBTVHPLLNCPU-MEBBXXQBSA-N 1 2 389.240 2.520 10 0 GFAELO O=S(=O)(c1cc(Br)ccc1Cl)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246193384 553103709 /nfs/dbraw/zinc/10/37/09/553103709.db2.gz JNPLKBUDVJVLLQ-LBPRGKRZSA-N 1 2 393.734 2.961 10 0 GFAELO O=S(=O)(c1cc(Br)ccc1Cl)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246193384 553103710 /nfs/dbraw/zinc/10/37/10/553103710.db2.gz JNPLKBUDVJVLLQ-LBPRGKRZSA-N 1 2 393.734 2.961 10 0 GFAELO C[C@H]1C[N@@H+]([C@H](CNC(=O)N(C)Cc2cscn2)c2cccs2)CCO1 ZINC000248325644 553128140 /nfs/dbraw/zinc/12/81/40/553128140.db2.gz BIVOJUYMQRJJCA-DZGCQCFKSA-N 1 2 380.539 2.808 10 0 GFAELO C[C@H]1C[N@H+]([C@H](CNC(=O)N(C)Cc2cscn2)c2cccs2)CCO1 ZINC000248325644 553128143 /nfs/dbraw/zinc/12/81/43/553128143.db2.gz BIVOJUYMQRJJCA-DZGCQCFKSA-N 1 2 380.539 2.808 10 0 GFAELO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@@H]1CC(F)(F)CN1 ZINC000262957330 553179444 /nfs/dbraw/zinc/17/94/44/553179444.db2.gz KHWWPESLEFFNMI-KBPBESRZSA-N 1 2 375.822 2.729 10 0 GFAELO CC[N@H+](CC(=O)[O-])C1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000263566489 553189642 /nfs/dbraw/zinc/18/96/42/553189642.db2.gz GBWHYSCNOVQARX-UHFFFAOYSA-N 1 2 385.302 2.699 10 0 GFAELO CC[N@@H+](CC(=O)[O-])C1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000263566489 553189643 /nfs/dbraw/zinc/18/96/43/553189643.db2.gz GBWHYSCNOVQARX-UHFFFAOYSA-N 1 2 385.302 2.699 10 0 GFAELO C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)s2)C[C@H]1[NH+]1CCOCC1 ZINC000302531031 563426098 /nfs/dbraw/zinc/42/60/98/563426098.db2.gz QHCHSSSCIKAZNV-XJKSGUPXSA-N 1 2 378.929 2.939 10 0 GFAELO CNc1c(N)c[nH+]c2c(Br)ccc(I)c12 ZINC000584882871 565102530 /nfs/dbraw/zinc/10/25/30/565102530.db2.gz XVEMNUHFAOMCKI-UHFFFAOYSA-N 1 2 378.011 2.648 10 0 GFAELO CCCNc1ncc(C[N@@H+]2CCn3nc([C@@H](O)c4ccccc4)cc3C2)cn1 ZINC000220488144 570387109 /nfs/dbraw/zinc/38/71/09/570387109.db2.gz XVRLCJIIYGCJIR-FQEVSTJZSA-N 1 2 378.480 2.593 10 0 GFAELO CCCNc1ncc(C[N@H+]2CCn3nc([C@@H](O)c4ccccc4)cc3C2)cn1 ZINC000220488144 570387112 /nfs/dbraw/zinc/38/71/12/570387112.db2.gz XVRLCJIIYGCJIR-FQEVSTJZSA-N 1 2 378.480 2.593 10 0 GFAELO COC1(c2nc(-c3ccccn3)no2)CC[NH+](Cc2nnc(C)n2C2CC2)CC1 ZINC000574827560 570998275 /nfs/dbraw/zinc/99/82/75/570998275.db2.gz OOEXFXKISLDGCS-UHFFFAOYSA-N 1 2 395.467 2.504 10 0 GFAELO O=C(c1ccccc1Br)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000109643847 655149627 /nfs/dbraw/zinc/14/96/27/655149627.db2.gz RUVQDHPAQYDNPV-GOSISDBHSA-N 1 2 389.293 2.941 10 0 GFAELO COCC[N@@H+]1CCN(C(=O)c2sc(C)c(Br)c2OC)C[C@H]1C ZINC000173549007 655174339 /nfs/dbraw/zinc/17/43/39/655174339.db2.gz JYUBLPPAFNZENF-SNVBAGLBSA-N 1 2 391.331 2.620 10 0 GFAELO COCC[N@H+]1CCN(C(=O)c2sc(C)c(Br)c2OC)C[C@H]1C ZINC000173549007 655174340 /nfs/dbraw/zinc/17/43/40/655174340.db2.gz JYUBLPPAFNZENF-SNVBAGLBSA-N 1 2 391.331 2.620 10 0 GFAELO COc1ccc(CN2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c(Br)c1OC ZINC000177276881 655272483 /nfs/dbraw/zinc/27/24/83/655272483.db2.gz QCCWBJXHWBCHOQ-HIFRSBDPSA-N 1 2 399.329 2.619 10 0 GFAELO O=S(=O)(/C=C\c1ccc(Br)cc1)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000779882356 656955050 /nfs/dbraw/zinc/95/50/50/656955050.db2.gz WTLHTYNCMHHUNX-LBIZBFCRSA-N 1 2 396.310 2.798 10 0 GFAELO Cc1ccc(-c2nc(C[NH+]3CCC(C(=O)Nc4ncccc4O)CC3)no2)cc1 ZINC000021724319 207236368 /nfs/dbraw/zinc/23/63/68/207236368.db2.gz UNTUYKMBHLMZTA-UHFFFAOYSA-N 1 2 393.447 2.996 10 0 GFAELO C[C@H]1C(=O)NCC[N@H+]1Cc1cccc(-c2nc(-c3ccc(F)cc3)cc(=O)[nH]2)c1 ZINC000023431043 207278718 /nfs/dbraw/zinc/27/87/18/207278718.db2.gz RAMQSNGHBLQLKZ-AWEZNQCLSA-N 1 2 392.434 2.563 10 0 GFAELO C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(-c2nc(-c3ccc(F)cc3)cc(=O)[nH]2)c1 ZINC000023431043 207278723 /nfs/dbraw/zinc/27/87/23/207278723.db2.gz RAMQSNGHBLQLKZ-AWEZNQCLSA-N 1 2 392.434 2.563 10 0 GFAELO CCCCOc1ccc(C(=O)Nc2c[nH+]c(N3CCOCC3)nc2N(C)C)cc1 ZINC000224359831 136206968 /nfs/dbraw/zinc/20/69/68/136206968.db2.gz WPHKFVKIKPVIGS-UHFFFAOYSA-N 1 2 399.495 2.810 10 0 GFAELO CC(C)n1cc[nH+]c1CS(=O)(=O)CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000107075399 551201502 /nfs/dbraw/zinc/20/15/02/551201502.db2.gz DJMSVYSEGNXVLI-ZDUSSCGKSA-N 1 2 383.901 2.910 10 0 GFAELO CN(Cc1cc(Br)ccc1F)c1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000110346442 551204002 /nfs/dbraw/zinc/20/40/02/551204002.db2.gz CTMSICMQBBFQNW-CQSZACIVSA-N 1 2 395.276 2.976 10 0 GFAELO CN(Cc1cc(Br)ccc1F)c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000110346442 551204005 /nfs/dbraw/zinc/20/40/05/551204005.db2.gz CTMSICMQBBFQNW-CQSZACIVSA-N 1 2 395.276 2.976 10 0 GFAELO C[C@H](CNC(=O)NCC(C)(C)c1ccccc1Br)[NH+]1CCOCC1 ZINC000123875516 551309058 /nfs/dbraw/zinc/30/90/58/551309058.db2.gz NLSBZIOOQQZRFL-CQSZACIVSA-N 1 2 398.345 2.747 10 0 GFAELO Cn1nc(Br)c2c1nc[nH+]c2NCC[C@@H]1C(=O)Nc2ccccc21 ZINC000171131113 551647956 /nfs/dbraw/zinc/64/79/56/551647956.db2.gz KYOBAAZSQBXPKP-JTQLQIEISA-N 1 2 387.241 2.664 10 0 GFAELO O=C(CN1CC[C@H]([NH+]2CCOCC2)C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000173607935 552088900 /nfs/dbraw/zinc/08/89/00/552088900.db2.gz YOWDOQOZFYAIHO-NSHDSACASA-N 1 2 392.714 2.992 10 0 GFAELO C[C@H]1CN(C(=O)C(C)(C)c2cccc(Br)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000173845024 552093770 /nfs/dbraw/zinc/09/37/70/552093770.db2.gz VBYQILYORVUMSW-YOEHRIQHSA-N 1 2 395.341 2.906 10 0 GFAELO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173963759 552095730 /nfs/dbraw/zinc/09/57/30/552095730.db2.gz IMTANQZXNXKLEY-LLVKDONJSA-N 1 2 379.873 2.607 10 0 GFAELO C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000175950979 552132592 /nfs/dbraw/zinc/13/25/92/552132592.db2.gz WAPIRWALFBIPLR-JSGCOSHPSA-N 1 2 379.913 2.816 10 0 GFAELO C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000175950979 552132595 /nfs/dbraw/zinc/13/25/95/552132595.db2.gz WAPIRWALFBIPLR-JSGCOSHPSA-N 1 2 379.913 2.816 10 0 GFAELO C[C@@H](N1CC[NH+](C[C@H](O)COCc2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000178268108 552167789 /nfs/dbraw/zinc/16/77/89/552167789.db2.gz PJSQCPNQXYVGAC-CJNGLKHVSA-N 1 2 380.838 2.786 10 0 GFAELO COc1cc(C)c(Br)cc1NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000184537043 552338248 /nfs/dbraw/zinc/33/82/48/552338248.db2.gz IEEIXMHFBNGFMN-ZDUSSCGKSA-N 1 2 398.301 2.705 10 0 GFAELO CC[N@@H+]1CC[C@@H](NC(=O)NCC(F)(F)CO)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185118315 552354789 /nfs/dbraw/zinc/35/47/89/552354789.db2.gz LZTBMPMYDYNHJV-KGLIPLIRSA-N 1 2 379.810 2.541 10 0 GFAELO CC[N@H+]1CC[C@@H](NC(=O)NCC(F)(F)CO)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185118315 552354791 /nfs/dbraw/zinc/35/47/91/552354791.db2.gz LZTBMPMYDYNHJV-KGLIPLIRSA-N 1 2 379.810 2.541 10 0 GFAELO CC[C@@H]1CN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC[N@@H+]1C[C@@H](C)O ZINC000189915459 552482792 /nfs/dbraw/zinc/48/27/92/552482792.db2.gz KLHLYJLLYQGVBH-VXGBXAGGSA-N 1 2 382.917 2.709 10 0 GFAELO CC[C@@H]1CN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC[N@H+]1C[C@@H](C)O ZINC000189915459 552482793 /nfs/dbraw/zinc/48/27/93/552482793.db2.gz KLHLYJLLYQGVBH-VXGBXAGGSA-N 1 2 382.917 2.709 10 0 GFAELO O=C(Nc1cc(Cl)c(F)c(Cl)c1)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000190833690 552510339 /nfs/dbraw/zinc/51/03/39/552510339.db2.gz NLFONIYETSPCNX-LLVKDONJSA-N 1 2 385.226 2.959 10 0 GFAELO O=C(Nc1cc2c(cc1Br)CCC2)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000192463798 552564694 /nfs/dbraw/zinc/56/46/94/552564694.db2.gz MYAOHQBNGZWKHG-OAHLLOKOSA-N 1 2 394.313 2.876 10 0 GFAELO COC(=O)[C@@H](c1cccc(Br)c1)[N@H+](C)C[C@@H](O)COC(C)(C)C ZINC000245902559 553099296 /nfs/dbraw/zinc/09/92/96/553099296.db2.gz LJLKXEUCKFMQKD-HUUCEWRRSA-N 1 2 388.302 2.771 10 0 GFAELO COC(=O)[C@@H](c1cccc(Br)c1)[N@@H+](C)C[C@@H](O)COC(C)(C)C ZINC000245902559 553099298 /nfs/dbraw/zinc/09/92/98/553099298.db2.gz LJLKXEUCKFMQKD-HUUCEWRRSA-N 1 2 388.302 2.771 10 0 GFAELO Cc1noc(Cl)c1CC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000246960988 553116314 /nfs/dbraw/zinc/11/63/14/553116314.db2.gz PPISRMJSQKJYPH-SMDDNHRTSA-N 1 2 383.901 2.819 10 0 GFAELO Cc1noc(Cl)c1CC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000246960988 553116316 /nfs/dbraw/zinc/11/63/16/553116316.db2.gz PPISRMJSQKJYPH-SMDDNHRTSA-N 1 2 383.901 2.819 10 0 GFAELO O[C@@H](COc1cccc(Br)c1)C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000247019269 553117361 /nfs/dbraw/zinc/11/73/61/553117361.db2.gz SIVVLANDJKNTMJ-RHSMWYFYSA-N 1 2 382.254 2.855 10 0 GFAELO O[C@@H](COc1cccc(Br)c1)C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000247019269 553117363 /nfs/dbraw/zinc/11/73/63/553117363.db2.gz SIVVLANDJKNTMJ-RHSMWYFYSA-N 1 2 382.254 2.855 10 0 GFAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)NCCc2cscn2)c2cccs2)CCO1 ZINC000247548261 553123917 /nfs/dbraw/zinc/12/39/17/553123917.db2.gz QQTRNPQLKSQYHC-UKRRQHHQSA-N 1 2 380.539 2.508 10 0 GFAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)NCCc2cscn2)c2cccs2)CCO1 ZINC000247548261 553123919 /nfs/dbraw/zinc/12/39/19/553123919.db2.gz QQTRNPQLKSQYHC-UKRRQHHQSA-N 1 2 380.539 2.508 10 0 GFAELO COC1(c2nc(-c3cnccn3)no2)CC[NH+](Cc2ncc(C(C)(C)C)o2)CC1 ZINC000583615979 570801263 /nfs/dbraw/zinc/80/12/63/570801263.db2.gz ZDNBXNBCNYSVKH-UHFFFAOYSA-N 1 2 398.467 2.950 10 0 GFAELO C[C@@H](c1nnnn1-c1ccccc1)[N@@H+]1CCCN(c2nc3ccccc3[nH]2)CC1 ZINC000084668035 571030281 /nfs/dbraw/zinc/03/02/81/571030281.db2.gz RHBIQXLYXIKMND-INIZCTEOSA-N 1 2 388.479 2.812 10 0 GFAELO C[C@@H](c1nnnn1-c1ccccc1)[N@H+]1CCCN(c2nc3ccccc3[nH]2)CC1 ZINC000084668035 571030282 /nfs/dbraw/zinc/03/02/82/571030282.db2.gz RHBIQXLYXIKMND-INIZCTEOSA-N 1 2 388.479 2.812 10 0 GFAELO C[C@@H]1CN(C(=O)c2cc(Cl)cc(Br)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000132903904 654948757 /nfs/dbraw/zinc/94/87/57/654948757.db2.gz ZSXZIGSGQDAOBZ-ABAIWWIYSA-N 1 2 387.705 2.895 10 0 GFAELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Br)cn1 ZINC000106208153 655104896 /nfs/dbraw/zinc/10/48/96/655104896.db2.gz YDWDVQLMRCSUKE-AWEZNQCLSA-N 1 2 392.301 2.970 10 0 GFAELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(Br)cn1 ZINC000106208153 655104910 /nfs/dbraw/zinc/10/49/10/655104910.db2.gz YDWDVQLMRCSUKE-AWEZNQCLSA-N 1 2 392.301 2.970 10 0 GFAELO O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000173730895 655178079 /nfs/dbraw/zinc/17/80/79/655178079.db2.gz MURAYIOECCNSEY-LBPRGKRZSA-N 1 2 377.363 2.894 10 0 GFAELO O=S(=O)(c1ccc(Br)s1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000173732510 655178394 /nfs/dbraw/zinc/17/83/94/655178394.db2.gz FMWMQOFNPKAEQS-SNVBAGLBSA-N 1 2 376.301 2.560 10 0 GFAELO Cc1ncc(S(=O)(=O)N2CCC3(C[C@@H]3[N@H+](C)Cc3nccs3)CC2)s1 ZINC000374745146 655401792 /nfs/dbraw/zinc/40/17/92/655401792.db2.gz UNTSTDBNZKCAMG-ZDUSSCGKSA-N 1 2 398.579 2.583 10 0 GFAELO Cc1ncc(S(=O)(=O)N2CCC3(C[C@@H]3[N@@H+](C)Cc3nccs3)CC2)s1 ZINC000374745146 655401794 /nfs/dbraw/zinc/40/17/94/655401794.db2.gz UNTSTDBNZKCAMG-ZDUSSCGKSA-N 1 2 398.579 2.583 10 0 GFAELO C[C@H](C[NH+]1CCN(C(=O)OC(C)(C)C)CC1)NC(=O)OCc1ccccc1 ZINC000301054700 209093767 /nfs/dbraw/zinc/09/37/67/209093767.db2.gz HCHREKUQNBLKKM-MRXNPFEDSA-N 1 2 377.485 2.854 10 0 GFAELO OC[C@H]1CCCN1c1cc(N2CCc3c(Br)cccc3C2)[nH+]cn1 ZINC000110411018 551204641 /nfs/dbraw/zinc/20/46/41/551204641.db2.gz OPLJNTYXNIOPAY-CQSZACIVSA-N 1 2 389.297 2.763 10 0 GFAELO OC[C@H]1CCCN1c1cc(N2CCc3c(Br)cccc3C2)nc[nH+]1 ZINC000110411018 551204642 /nfs/dbraw/zinc/20/46/42/551204642.db2.gz OPLJNTYXNIOPAY-CQSZACIVSA-N 1 2 389.297 2.763 10 0 GFAELO CC(C)CN(Cc1ccccc1Br)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000121500243 551235851 /nfs/dbraw/zinc/23/58/51/551235851.db2.gz ABMSJXFEYBVZDQ-INIZCTEOSA-N 1 2 398.345 2.947 10 0 GFAELO CC(C)CN(Cc1ccccc1Br)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000121500243 551235853 /nfs/dbraw/zinc/23/58/53/551235853.db2.gz ABMSJXFEYBVZDQ-INIZCTEOSA-N 1 2 398.345 2.947 10 0 GFAELO CSCC[C@H](NC(=O)[C@H](C)[NH+]1CCSCC1)c1nc2ccccc2[nH]1 ZINC000152325721 551430939 /nfs/dbraw/zinc/43/09/39/551430939.db2.gz HXARCIOSFUUAHU-BBRMVZONSA-N 1 2 378.567 2.911 10 0 GFAELO CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172749375 551686586 /nfs/dbraw/zinc/68/65/86/551686586.db2.gz PJYHGXXSTTXSRD-WMZOPIPTSA-N 1 2 395.341 2.951 10 0 GFAELO O=C(CN1CC[C@H]([NH+]2CCOCC2)C1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000172806524 551687217 /nfs/dbraw/zinc/68/72/17/551687217.db2.gz FPCYANQRTWLBMA-LBPRGKRZSA-N 1 2 392.714 2.992 10 0 GFAELO Cn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3SCCc4sccc43)CC2)cn1 ZINC000173094552 551695807 /nfs/dbraw/zinc/69/58/07/551695807.db2.gz AIYLPLMBZPHPSS-KRWDZBQOSA-N 1 2 376.551 2.547 10 0 GFAELO Cn1cc(C[N@H+]2CCCN(C(=O)[C@H]3SCCc4sccc43)CC2)cn1 ZINC000173094552 551695810 /nfs/dbraw/zinc/69/58/10/551695810.db2.gz AIYLPLMBZPHPSS-KRWDZBQOSA-N 1 2 376.551 2.547 10 0 GFAELO C[C@@H]([NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl)C(=O)N(C)CC(=O)NC1CC1 ZINC000173976466 552096269 /nfs/dbraw/zinc/09/62/69/552096269.db2.gz SKTVOZMMZLGZFL-NXEZZACHSA-N 1 2 390.286 2.909 10 0 GFAELO Cc1csc(CNC(=O)NC[C@@H](c2ccc(C)s2)[NH+]2CCOCC2)n1 ZINC000178487382 552171489 /nfs/dbraw/zinc/17/14/89/552171489.db2.gz QDDANPHDBUHGFW-AWEZNQCLSA-N 1 2 380.539 2.694 10 0 GFAELO C[C@@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1nc(-c2cccs2)no1 ZINC000181565758 552261251 /nfs/dbraw/zinc/26/12/51/552261251.db2.gz MGJPODKIOYHMPQ-WDEREUQCSA-N 1 2 378.479 2.857 10 0 GFAELO C[N@@H+]1CCO[C@@H](CNC(=O)C(C)(C)COc2cc(Cl)cc(Cl)c2)C1 ZINC000190746518 552507439 /nfs/dbraw/zinc/50/74/39/552507439.db2.gz MJRPBYCBVVEVOK-HNNXBMFYSA-N 1 2 375.296 2.845 10 0 GFAELO C[N@H+]1CCO[C@@H](CNC(=O)C(C)(C)COc2cc(Cl)cc(Cl)c2)C1 ZINC000190746518 552507441 /nfs/dbraw/zinc/50/74/41/552507441.db2.gz MJRPBYCBVVEVOK-HNNXBMFYSA-N 1 2 375.296 2.845 10 0 GFAELO CCn1cc([C@H]2CN(Cc3c[nH+]c4ccc(Br)cn34)CCO2)cn1 ZINC000191714375 552535630 /nfs/dbraw/zinc/53/56/30/552535630.db2.gz WFULHEPEUWUMIA-MRXNPFEDSA-N 1 2 390.285 2.887 10 0 GFAELO C[C@H]1CN(C(=O)C2(c3ccccc3Br)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000191917046 552542548 /nfs/dbraw/zinc/54/25/48/552542548.db2.gz CAMGYCIVJRVLGE-YOEHRIQHSA-N 1 2 393.325 2.660 10 0 GFAELO Cc1sc(Br)cc1S(=O)(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245852444 553098561 /nfs/dbraw/zinc/09/85/61/553098561.db2.gz CRGRFRMSXMEJSL-NSHDSACASA-N 1 2 379.345 2.678 10 0 GFAELO Cc1sc(Br)cc1S(=O)(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000245852444 553098563 /nfs/dbraw/zinc/09/85/63/553098563.db2.gz CRGRFRMSXMEJSL-NSHDSACASA-N 1 2 379.345 2.678 10 0 GFAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCc3sccc3[C@H]2c2cccs2)C1 ZINC000246903999 553115055 /nfs/dbraw/zinc/11/50/55/553115055.db2.gz VIYUYURPCFPFMG-DYVFJYSZSA-N 1 2 377.535 2.797 10 0 GFAELO C[N@H+]1CCO[C@H](CNC(=O)N2CCc3sccc3[C@H]2c2cccs2)C1 ZINC000246903999 553115057 /nfs/dbraw/zinc/11/50/57/553115057.db2.gz VIYUYURPCFPFMG-DYVFJYSZSA-N 1 2 377.535 2.797 10 0 GFAELO C[N@H+](CC(=O)[O-])[C@H]1CCC[NH+](Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000262553599 553172592 /nfs/dbraw/zinc/17/25/92/553172592.db2.gz VQIJKVGUUOVCNE-ZDUSSCGKSA-N 1 2 399.285 2.549 10 0 GFAELO C[N@@H+](CC(=O)[O-])[C@H]1CCC[NH+](Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000262553599 553172593 /nfs/dbraw/zinc/17/25/93/553172593.db2.gz VQIJKVGUUOVCNE-ZDUSSCGKSA-N 1 2 399.285 2.549 10 0 GFAELO C[NH+](CC(=O)[O-])[C@H]1CCC[N@H+](Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000262553599 553172594 /nfs/dbraw/zinc/17/25/94/553172594.db2.gz VQIJKVGUUOVCNE-ZDUSSCGKSA-N 1 2 399.285 2.549 10 0 GFAELO C[NH+](CC(=O)[O-])[C@H]1CCC[N@@H+](Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000262553599 553172595 /nfs/dbraw/zinc/17/25/95/553172595.db2.gz VQIJKVGUUOVCNE-ZDUSSCGKSA-N 1 2 399.285 2.549 10 0 GFAELO CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(F)(F)CN2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000263281096 553185275 /nfs/dbraw/zinc/18/52/75/553185275.db2.gz UGEGBLOHIHQVBC-RRFJBIMHSA-N 1 2 375.822 2.728 10 0 GFAELO CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC(F)(F)CN2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000263281096 553185277 /nfs/dbraw/zinc/18/52/77/553185277.db2.gz UGEGBLOHIHQVBC-RRFJBIMHSA-N 1 2 375.822 2.728 10 0 GFAELO COc1c(Br)cccc1C[N@@H+]1CCC[C@@H]([NH+](C)CC(=O)[O-])CC1 ZINC000263486023 553188379 /nfs/dbraw/zinc/18/83/79/553188379.db2.gz HKTJCYZXALBMDO-CQSZACIVSA-N 1 2 385.302 2.829 10 0 GFAELO COc1c(Br)cccc1C[N@H+]1CCC[C@@H]([NH+](C)CC(=O)[O-])CC1 ZINC000263486023 553188381 /nfs/dbraw/zinc/18/83/81/553188381.db2.gz HKTJCYZXALBMDO-CQSZACIVSA-N 1 2 385.302 2.829 10 0 GFAELO COc1c(Br)cccc1C[NH+]1CCC[C@@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000263486023 553188383 /nfs/dbraw/zinc/18/83/83/553188383.db2.gz HKTJCYZXALBMDO-CQSZACIVSA-N 1 2 385.302 2.829 10 0 GFAELO COc1c(Br)cccc1C[NH+]1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000263486023 553188384 /nfs/dbraw/zinc/18/83/84/553188384.db2.gz HKTJCYZXALBMDO-CQSZACIVSA-N 1 2 385.302 2.829 10 0 GFAELO CN(C)c1nc(N2CCCC2)[nH+]cc1NC(=O)COc1ccc(Cl)cc1 ZINC000224353140 570450097 /nfs/dbraw/zinc/45/00/97/570450097.db2.gz TZSOSBINQUZDGG-UHFFFAOYSA-N 1 2 375.860 2.814 10 0 GFAELO C[C@H](NC(=O)N1CCC[C@@H](Nc2ccc(N(C)C)[nH+]c2)CC1)[C@@H]1CCCO1 ZINC000583624079 570801987 /nfs/dbraw/zinc/80/19/87/570801987.db2.gz LXBJTFYGITUEOF-JZXOWHBKSA-N 1 2 375.517 2.691 10 0 GFAELO C[N@@H+]1CCO[C@@H](CNC(=O)C(C)(C)Sc2ccc(Br)cc2)C1 ZINC000134721355 655002012 /nfs/dbraw/zinc/00/20/12/655002012.db2.gz CGAVPFXKRGJJAZ-ZDUSSCGKSA-N 1 2 387.343 2.767 10 0 GFAELO C[N@H+]1CCO[C@@H](CNC(=O)C(C)(C)Sc2ccc(Br)cc2)C1 ZINC000134721355 655002015 /nfs/dbraw/zinc/00/20/15/655002015.db2.gz CGAVPFXKRGJJAZ-ZDUSSCGKSA-N 1 2 387.343 2.767 10 0 GFAELO Cc1ncc(C[NH+]2CCN(Cn3nc(C)c(Br)c3C)CC2)s1 ZINC000111164914 655165833 /nfs/dbraw/zinc/16/58/33/655165833.db2.gz JWQWIEJHDUVUEH-UHFFFAOYSA-N 1 2 384.347 2.803 10 0 GFAELO COCc1c(Br)cccc1NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173899459 655184148 /nfs/dbraw/zinc/18/41/48/655184148.db2.gz WQVJSDFRJHSEBW-ZDUSSCGKSA-N 1 2 398.301 2.534 10 0 GFAELO CCOCC[N@@H+]1CCN(C(=O)c2ccc(Br)cc2O)C[C@H]1CC ZINC000116977163 655258197 /nfs/dbraw/zinc/25/81/97/655258197.db2.gz ADNKSMZVUMOCRJ-CQSZACIVSA-N 1 2 385.302 2.728 10 0 GFAELO CCOCC[N@H+]1CCN(C(=O)c2ccc(Br)cc2O)C[C@H]1CC ZINC000116977163 655258200 /nfs/dbraw/zinc/25/82/00/655258200.db2.gz ADNKSMZVUMOCRJ-CQSZACIVSA-N 1 2 385.302 2.728 10 0 GFAELO Cc1csc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3sccc3C(N)=O)C2)n1 ZINC000195328917 655420112 /nfs/dbraw/zinc/42/01/12/655420112.db2.gz JAGWQFKFLDLRSC-RYUDHWBXSA-N 1 2 378.523 2.819 10 0 GFAELO Cc1csc([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3sccc3C(N)=O)C2)n1 ZINC000195328917 655420113 /nfs/dbraw/zinc/42/01/13/655420113.db2.gz JAGWQFKFLDLRSC-RYUDHWBXSA-N 1 2 378.523 2.819 10 0 GFAELO COc1cc2c(cc1OC)[C@H]([C@@H]1OC(=O)c3c1ccc1c3OCO1)[N@H+](C)CC2 ZINC000014414489 206262391 /nfs/dbraw/zinc/26/23/91/206262391.db2.gz SZDGAZFTAUFFQH-RTBURBONSA-N 1 2 383.400 2.873 10 0 GFAELO COc1cc2c(cc1OC)[C@H]([C@@H]1OC(=O)c3c1ccc1c3OCO1)[N@@H+](C)CC2 ZINC000014414489 206262394 /nfs/dbraw/zinc/26/23/94/206262394.db2.gz SZDGAZFTAUFFQH-RTBURBONSA-N 1 2 383.400 2.873 10 0 GFAELO C[C@H](C[NH+]1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1)C(=O)c1ccccc1 ZINC000019362775 207118751 /nfs/dbraw/zinc/11/87/51/207118751.db2.gz SZDLYOHKAVLHRP-SXSPYAJSSA-N 1 2 378.516 2.651 10 0 GFAELO CC(C)=CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(C)Cc1[nH]c2ccccc2c1C ZINC000019939904 207172372 /nfs/dbraw/zinc/17/23/72/207172372.db2.gz VUCKNPPPRPTXDQ-HXUWFJFHSA-N 1 2 382.508 2.591 10 0 GFAELO CC(C)=CC[N@H+]1CCNC(=O)[C@H]1CC(=O)N(C)Cc1[nH]c2ccccc2c1C ZINC000019939904 207172376 /nfs/dbraw/zinc/17/23/76/207172376.db2.gz VUCKNPPPRPTXDQ-HXUWFJFHSA-N 1 2 382.508 2.591 10 0 GFAELO O=C(c1ccc(NCCc2ccccn2)nc1)N1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000020325467 207188922 /nfs/dbraw/zinc/18/89/22/207188922.db2.gz UJROMDQAZQJIIP-GOSISDBHSA-N 1 2 390.491 2.880 10 0 GFAELO Cc1cccc(S(=O)(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1Br ZINC000156437483 551523061 /nfs/dbraw/zinc/52/30/61/551523061.db2.gz JQOTZYMHZMWBGX-CYBMUJFWSA-N 1 2 384.299 2.807 10 0 GFAELO C[C@@H](CNC(=O)c1ccc(Br)c(C(F)(F)F)c1)[NH+]1CCOCC1 ZINC000156514315 551523942 /nfs/dbraw/zinc/52/39/42/551523942.db2.gz IUZIITMHMPFLKP-JTQLQIEISA-N 1 2 395.219 2.918 10 0 GFAELO COC(=O)c1sccc1NC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000161833011 551599675 /nfs/dbraw/zinc/59/96/75/551599675.db2.gz KSLJWUSQSWWNTP-UHFFFAOYSA-N 1 2 380.495 2.649 10 0 GFAELO C[C@@H]1CN(C(=O)C(C)(C)c2cccc(Br)c2)C[C@H]1[NH+]1CCOCC1 ZINC000173845038 552093903 /nfs/dbraw/zinc/09/39/03/552093903.db2.gz VBYQILYORVUMSW-RHSMWYFYSA-N 1 2 395.341 2.906 10 0 GFAELO Cc1noc(Cl)c1CC(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000176545448 552140810 /nfs/dbraw/zinc/14/08/10/552140810.db2.gz CLYVGNPEHJHLBI-CQSZACIVSA-N 1 2 383.901 2.772 10 0 GFAELO CCn1cc[nH+]c1C[S@@](=O)Cc1cc2c(cc1Br)OCCO2 ZINC000176823552 552146659 /nfs/dbraw/zinc/14/66/59/552146659.db2.gz WQHAIQCRPJBZAQ-QFIPXVFZSA-N 1 2 385.283 2.886 10 0 GFAELO Cc1ncc(CN2CC[NH+](C[C@@H](O)COc3ccccc3Cl)CC2)s1 ZINC000178607852 552173249 /nfs/dbraw/zinc/17/32/49/552173249.db2.gz CUPOVGMOZFMSHM-OAHLLOKOSA-N 1 2 381.929 2.662 10 0 GFAELO Cc1ncc(C[NH+]2CCN(C[C@@H](O)COc3ccccc3Cl)CC2)s1 ZINC000178607852 552173251 /nfs/dbraw/zinc/17/32/51/552173251.db2.gz CUPOVGMOZFMSHM-OAHLLOKOSA-N 1 2 381.929 2.662 10 0 GFAELO CCC[C@@H](C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[NH+](C)C ZINC000179715671 552201018 /nfs/dbraw/zinc/20/10/18/552201018.db2.gz CUQILHODYDBOLL-AWEZNQCLSA-N 1 2 382.511 2.613 10 0 GFAELO CC(C)N1CCO[C@H](C[NH+]2CCN(Cc3ncc(Cl)cc3Cl)CC2)C1 ZINC000182236126 552279046 /nfs/dbraw/zinc/27/90/46/552279046.db2.gz RIUCNMCRVKGLOD-MRXNPFEDSA-N 1 2 387.355 2.615 10 0 GFAELO C[N@@H+](Cc1nccn1C(F)F)C[C@H](O)COc1cccc(Br)c1 ZINC000193798632 553003840 /nfs/dbraw/zinc/00/38/40/553003840.db2.gz HBCAEBQYNLEQIF-LBPRGKRZSA-N 1 2 390.228 2.912 10 0 GFAELO C[N@H+](Cc1nccn1C(F)F)C[C@H](O)COc1cccc(Br)c1 ZINC000193798632 553003842 /nfs/dbraw/zinc/00/38/42/553003842.db2.gz HBCAEBQYNLEQIF-LBPRGKRZSA-N 1 2 390.228 2.912 10 0 GFAELO CCc1nnc(NC(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)s1 ZINC000246318468 553106371 /nfs/dbraw/zinc/10/63/71/553106371.db2.gz AIKBEMIRQPQXKB-RYUDHWBXSA-N 1 2 381.527 2.746 10 0 GFAELO CCc1nnc(NC(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)s1 ZINC000246318468 553106372 /nfs/dbraw/zinc/10/63/72/553106372.db2.gz AIKBEMIRQPQXKB-RYUDHWBXSA-N 1 2 381.527 2.746 10 0 GFAELO CCc1nc(CC(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)cs1 ZINC000246946029 553115825 /nfs/dbraw/zinc/11/58/25/553115825.db2.gz OZOGGKDWHWGXHL-DZGCQCFKSA-N 1 2 379.551 2.888 10 0 GFAELO CCc1nc(CC(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)cs1 ZINC000246946029 553115828 /nfs/dbraw/zinc/11/58/28/553115828.db2.gz OZOGGKDWHWGXHL-DZGCQCFKSA-N 1 2 379.551 2.888 10 0 GFAELO C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247807453 553125809 /nfs/dbraw/zinc/12/58/09/553125809.db2.gz TUXWWLSTAVUIIV-UONOGXRCSA-N 1 2 392.301 2.780 10 0 GFAELO C[C@@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247807453 553125810 /nfs/dbraw/zinc/12/58/10/553125810.db2.gz TUXWWLSTAVUIIV-UONOGXRCSA-N 1 2 392.301 2.780 10 0 GFAELO C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000262054088 553165313 /nfs/dbraw/zinc/16/53/13/553165313.db2.gz ZZVFTUULGQAMMO-YGRLFVJLSA-N 1 2 396.310 2.812 10 0 GFAELO Cn1nc(Br)c2c1nc[nH+]c2N[C@H](CO)c1ccc(Cl)cc1 ZINC000301953704 563416975 /nfs/dbraw/zinc/41/69/75/563416975.db2.gz IHYIEWXBVTWEOS-SNVBAGLBSA-N 1 2 382.649 2.925 10 0 GFAELO COC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000066834845 654916879 /nfs/dbraw/zinc/91/68/79/654916879.db2.gz XSKXNNGKZIOOTB-SNVBAGLBSA-N 1 2 376.787 2.765 10 0 GFAELO COC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000066834845 654916881 /nfs/dbraw/zinc/91/68/81/654916881.db2.gz XSKXNNGKZIOOTB-SNVBAGLBSA-N 1 2 376.787 2.765 10 0 GFAELO O=C(N[C@H]1CCSc2ccc(Cl)cc21)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173793351 655181486 /nfs/dbraw/zinc/18/14/86/655181486.db2.gz XYFJPFMEUYMPGP-ZBFHGGJFSA-N 1 2 381.929 2.993 10 0 GFAELO C[C@@H](CNC(=O)NCC1(c2cccc(Br)c2)CC1)[NH+]1CCOCC1 ZINC000115653759 655240967 /nfs/dbraw/zinc/24/09/67/655240967.db2.gz BGRBLCUHBRQNNH-AWEZNQCLSA-N 1 2 396.329 2.501 10 0 GFAELO C[C@@H](CNC(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1)[NH+]1CCOCC1 ZINC000116528985 655249067 /nfs/dbraw/zinc/24/90/67/655249067.db2.gz UJMKRVMSCGPTIA-WMLDXEAASA-N 1 2 383.945 2.860 10 0 GFAELO CCOC(=O)c1nn(CCO)c2c1C[N@H+](Cc1cccc3ccccc31)CC2 ZINC000020586473 207204286 /nfs/dbraw/zinc/20/42/86/207204286.db2.gz SRCXRXBBDGPHLW-UHFFFAOYSA-N 1 2 379.460 2.764 10 0 GFAELO CCOC(=O)c1nn(CCO)c2c1C[N@@H+](Cc1cccc3ccccc31)CC2 ZINC000020586473 207204290 /nfs/dbraw/zinc/20/42/90/207204290.db2.gz SRCXRXBBDGPHLW-UHFFFAOYSA-N 1 2 379.460 2.764 10 0 GFAELO CC(C)n1cc[nH+]c1CS(=O)(=O)CCC(=O)NCc1ccccc1Cl ZINC000107075842 551201736 /nfs/dbraw/zinc/20/17/36/551201736.db2.gz YAJGIILSBYLAGT-UHFFFAOYSA-N 1 2 383.901 2.739 10 0 GFAELO OC[C@H]1CCCN1c1cc(NCCOc2cccc(Br)c2)[nH+]cn1 ZINC000110257304 551203643 /nfs/dbraw/zinc/20/36/43/551203643.db2.gz KQPKLWBPXLIGDY-CQSZACIVSA-N 1 2 393.285 2.691 10 0 GFAELO OC[C@H]1CCCN1c1cc(NCCOc2cccc(Br)c2)nc[nH+]1 ZINC000110257304 551203647 /nfs/dbraw/zinc/20/36/47/551203647.db2.gz KQPKLWBPXLIGDY-CQSZACIVSA-N 1 2 393.285 2.691 10 0 GFAELO Cc1[nH]c2nc(S(=O)(=O)Cc3[nH+]ccn3C(C)C)nc-2cc1Br ZINC000152040262 551425218 /nfs/dbraw/zinc/42/52/18/551425218.db2.gz LWLWRSOCDPXZNK-UHFFFAOYSA-N 1 2 398.286 2.780 10 0 GFAELO CSCC[C@H](NC(=O)[C@@H](C)[NH+]1CCSCC1)c1nc2ccccc2[nH]1 ZINC000152325785 551431003 /nfs/dbraw/zinc/43/10/03/551431003.db2.gz HXARCIOSFUUAHU-CJNGLKHVSA-N 1 2 378.567 2.911 10 0 GFAELO Cc1noc([C@H](C)N2CC[NH+](C[C@@H](O)c3ccccc3Br)CC2)n1 ZINC000152946579 551443213 /nfs/dbraw/zinc/44/32/13/551443213.db2.gz RFUWUWBKNSOGMU-BLLLJJGKSA-N 1 2 395.301 2.553 10 0 GFAELO O=C(Cc1cccc(I)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000154134256 551468193 /nfs/dbraw/zinc/46/81/93/551468193.db2.gz CKFZORJSMWDOAA-OAHLLOKOSA-N 1 2 395.244 2.721 10 0 GFAELO Cc1csc([C@H]2C[N@H+](CCC(=O)N3CCc4sccc4C3)CCO2)n1 ZINC000157774347 551542854 /nfs/dbraw/zinc/54/28/54/551542854.db2.gz SFHFKEMUEHLWGW-OAHLLOKOSA-N 1 2 377.535 2.861 10 0 GFAELO Cc1csc([C@H]2C[N@@H+](CCC(=O)N3CCc4sccc4C3)CCO2)n1 ZINC000157774347 551542856 /nfs/dbraw/zinc/54/28/56/551542856.db2.gz SFHFKEMUEHLWGW-OAHLLOKOSA-N 1 2 377.535 2.861 10 0 GFAELO Brc1cc2c(cc1C[N@@H+]1CCC[C@@H](n3cncn3)C1)OCCO2 ZINC000171703969 551661310 /nfs/dbraw/zinc/66/13/10/551661310.db2.gz ROPLFUDLRKUDHZ-CYBMUJFWSA-N 1 2 379.258 2.649 10 0 GFAELO Brc1cc2c(cc1C[N@H+]1CCC[C@@H](n3cncn3)C1)OCCO2 ZINC000171703969 551661312 /nfs/dbraw/zinc/66/13/12/551661312.db2.gz ROPLFUDLRKUDHZ-CYBMUJFWSA-N 1 2 379.258 2.649 10 0 GFAELO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000173773688 552091387 /nfs/dbraw/zinc/09/13/87/552091387.db2.gz DTDVDUGDUNRSKE-XJKSGUPXSA-N 1 2 382.302 2.626 10 0 GFAELO C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000173773701 552091471 /nfs/dbraw/zinc/09/14/71/552091471.db2.gz DTDVDUGDUNRSKE-CZUORRHYSA-N 1 2 382.302 2.626 10 0 GFAELO C[C@@H]([NH2+]Cc1csc(CS(C)(=O)=O)n1)c1cccc(-n2ccnc2)c1 ZINC000180657568 552232590 /nfs/dbraw/zinc/23/25/90/552232590.db2.gz MKMOVCGAJULBNU-CYBMUJFWSA-N 1 2 376.507 2.724 10 0 GFAELO O=C(Nc1cc(Br)c(F)cc1F)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000189053990 552462016 /nfs/dbraw/zinc/46/20/16/552462016.db2.gz SUKASOVQNVUGFN-JTQLQIEISA-N 1 2 390.228 2.666 10 0 GFAELO Cc1c(Br)cccc1NC(=O)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000190744985 552507429 /nfs/dbraw/zinc/50/74/29/552507429.db2.gz WTAVAQMXSKYNKP-CYBMUJFWSA-N 1 2 391.269 2.584 10 0 GFAELO C[C@@H]1CN(C(=O)C2(c3ccccc3Br)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000191917036 552542635 /nfs/dbraw/zinc/54/26/35/552542635.db2.gz CAMGYCIVJRVLGE-PBHICJAKSA-N 1 2 393.325 2.660 10 0 GFAELO Cc1ccc([C@H](CNC(=O)N2CCSC[C@H](C)C2)[NH+]2CCOCC2)s1 ZINC000192385601 552561411 /nfs/dbraw/zinc/56/14/11/552561411.db2.gz PEZRHYRVRXXFDX-ZBFHGGJFSA-N 1 2 383.583 2.824 10 0 GFAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)N2CCSC[C@@H](C)C2)c2cccs2)CCO1 ZINC000192385645 552561535 /nfs/dbraw/zinc/56/15/35/552561535.db2.gz QVQDDIXXDUMTCN-ARFHVFGLSA-N 1 2 383.583 2.904 10 0 GFAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)N2CCSC[C@@H](C)C2)c2cccs2)CCO1 ZINC000192385645 552561536 /nfs/dbraw/zinc/56/15/36/552561536.db2.gz QVQDDIXXDUMTCN-ARFHVFGLSA-N 1 2 383.583 2.904 10 0 GFAELO COc1cc(Br)c(CN2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cc1OC ZINC000246631348 553110870 /nfs/dbraw/zinc/11/08/70/553110870.db2.gz ZLKJHFHBKHFLRS-XJKSGUPXSA-N 1 2 399.329 2.619 10 0 GFAELO CC[N@@H+]1CC[C@H](NC(=O)NCC(F)(F)CO)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248721383 553134021 /nfs/dbraw/zinc/13/40/21/553134021.db2.gz LZTBMPMYDYNHJV-UONOGXRCSA-N 1 2 379.810 2.541 10 0 GFAELO CC[N@H+]1CC[C@H](NC(=O)NCC(F)(F)CO)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248721383 553134023 /nfs/dbraw/zinc/13/40/23/553134023.db2.gz LZTBMPMYDYNHJV-UONOGXRCSA-N 1 2 379.810 2.541 10 0 GFAELO OC[C@H]1CCCN1c1cc(NCc2ccc(F)cc2Br)[nH+]cn1 ZINC000301222275 563396449 /nfs/dbraw/zinc/39/64/49/563396449.db2.gz BDOXZDQZCFNOQP-CYBMUJFWSA-N 1 2 381.249 2.951 10 0 GFAELO OC[C@H]1CCCN1c1cc(NCc2ccc(F)cc2Br)nc[nH+]1 ZINC000301222275 563396450 /nfs/dbraw/zinc/39/64/50/563396450.db2.gz BDOXZDQZCFNOQP-CYBMUJFWSA-N 1 2 381.249 2.951 10 0 GFAELO [NH3+]Cc1ccc(S(=O)(=O)Nc2cccc(I)c2)s1 ZINC000034975288 570548674 /nfs/dbraw/zinc/54/86/74/570548674.db2.gz OXEVGCKAMBZZEC-UHFFFAOYSA-N 1 2 394.259 2.612 10 0 GFAELO COc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)NC2CCCCCC2)cc1C ZINC000011933419 570592828 /nfs/dbraw/zinc/59/28/28/570592828.db2.gz OJTCALGJHQDKHD-LJQANCHMSA-N 1 2 387.524 2.533 10 0 GFAELO COc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)NC2CCCCCC2)cc1C ZINC000011933419 570592831 /nfs/dbraw/zinc/59/28/31/570592831.db2.gz OJTCALGJHQDKHD-LJQANCHMSA-N 1 2 387.524 2.533 10 0 GFAELO CC(C)(C)OC[C@H](O)C[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000046058464 654674362 /nfs/dbraw/zinc/67/43/62/654674362.db2.gz FDGGKGXFVUADDD-CQSZACIVSA-N 1 2 389.323 2.927 10 0 GFAELO O=S(=O)(N[C@@H]1CCC[C@@H]1n1cc[nH+]c1)c1sccc1Br ZINC000049061061 654714490 /nfs/dbraw/zinc/71/44/90/654714490.db2.gz YFGRDPJTTCRXLU-MNOVXSKESA-N 1 2 376.301 2.779 10 0 GFAELO CC[C@@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)Cc1cccc(Br)c1 ZINC000132172001 654927626 /nfs/dbraw/zinc/92/76/26/654927626.db2.gz FNAHBAXNILXGPB-PBHICJAKSA-N 1 2 398.345 2.648 10 0 GFAELO CC[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)Cc1cccc(Br)c1 ZINC000132172001 654927627 /nfs/dbraw/zinc/92/76/27/654927627.db2.gz FNAHBAXNILXGPB-PBHICJAKSA-N 1 2 398.345 2.648 10 0 GFAELO O=C(CCCCc1ccc(Cl)c(Cl)c1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000132468771 654938722 /nfs/dbraw/zinc/93/87/22/654938722.db2.gz ZGAIINZKLLESEU-OAHLLOKOSA-N 1 2 389.323 2.516 10 0 GFAELO NC(=O)[C@H](c1ccc(Br)cc1)N1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000104681749 655084051 /nfs/dbraw/zinc/08/40/51/655084051.db2.gz XRXYUUSAIPETOS-DYVFJYSZSA-N 1 2 389.297 2.805 10 0 GFAELO C[C@H]1CN(C(=O)c2cc(-c3ccc(Cl)s3)on2)C[C@H]1[NH+]1CCOCC1 ZINC000173403460 655170001 /nfs/dbraw/zinc/17/00/01/655170001.db2.gz DENRGNPFTZLMHV-WCQYABFASA-N 1 2 381.885 2.849 10 0 GFAELO C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000173766097 655180681 /nfs/dbraw/zinc/18/06/81/655180681.db2.gz IAUNLPRIIWBWIV-CZUORRHYSA-N 1 2 382.302 2.626 10 0 GFAELO CC(=O)N1CCc2c([nH+]c(N(C)C)nc2N[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000077437875 211134247 /nfs/dbraw/zinc/13/42/47/211134247.db2.gz XUTSKKKZNFMJJT-NSHDSACASA-N 1 2 375.423 2.899 10 0 GFAELO CCCc1cncnc1N1CCC[C@@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000091254787 136176139 /nfs/dbraw/zinc/17/61/39/136176139.db2.gz LLSIIYSBDKQPMO-NRFANRHFSA-N 1 2 382.512 2.604 10 0 GFAELO CCCc1cncnc1N1CCC[C@@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000091254787 136176140 /nfs/dbraw/zinc/17/61/40/136176140.db2.gz LLSIIYSBDKQPMO-NRFANRHFSA-N 1 2 382.512 2.604 10 0 GFAELO Cc1cnn(CCNC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)c1 ZINC000135653468 551388374 /nfs/dbraw/zinc/38/83/74/551388374.db2.gz JWNJKPODOIFNID-KRWDZBQOSA-N 1 2 391.313 2.907 10 0 GFAELO O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172758318 551686266 /nfs/dbraw/zinc/68/62/66/551686266.db2.gz SGWNTBHENFFBIF-LLVKDONJSA-N 1 2 393.698 2.959 10 0 GFAELO C[C@H]1CN(C(=O)c2cc3cc(Br)ccc3[nH]2)C[C@H]1[NH+]1CCOCC1 ZINC000173395714 552084958 /nfs/dbraw/zinc/08/49/58/552084958.db2.gz BNXPOUUEOBDTPP-YVEFUNNKSA-N 1 2 392.297 2.723 10 0 GFAELO CC(C)n1cc(Br)cc1C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173888006 552095342 /nfs/dbraw/zinc/09/53/42/552095342.db2.gz MDOOZIKUBCBLQZ-CZUORRHYSA-N 1 2 384.318 2.624 10 0 GFAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)NCCc2nccs2)c2cccs2)CCO1 ZINC000178621126 552173063 /nfs/dbraw/zinc/17/30/63/552173063.db2.gz WMFNDRGFUANECZ-KGLIPLIRSA-N 1 2 380.539 2.508 10 0 GFAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)NCCc2nccs2)c2cccs2)CCO1 ZINC000178621126 552173066 /nfs/dbraw/zinc/17/30/66/552173066.db2.gz WMFNDRGFUANECZ-KGLIPLIRSA-N 1 2 380.539 2.508 10 0 GFAELO Cc1ncc(CN2CC[NH+](C[C@H](O)COc3ccccc3Cl)CC2)s1 ZINC000178607841 552173118 /nfs/dbraw/zinc/17/31/18/552173118.db2.gz CUPOVGMOZFMSHM-HNNXBMFYSA-N 1 2 381.929 2.662 10 0 GFAELO Cc1ncc(C[NH+]2CCN(C[C@H](O)COc3ccccc3Cl)CC2)s1 ZINC000178607841 552173122 /nfs/dbraw/zinc/17/31/22/552173122.db2.gz CUPOVGMOZFMSHM-HNNXBMFYSA-N 1 2 381.929 2.662 10 0 GFAELO C[C@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1nc(-c2cccs2)no1 ZINC000181565726 552261276 /nfs/dbraw/zinc/26/12/76/552261276.db2.gz MGJPODKIOYHMPQ-QWRGUYRKSA-N 1 2 378.479 2.857 10 0 GFAELO C[C@H]1CN(C(=O)c2cccc(Br)c2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000184077489 552326992 /nfs/dbraw/zinc/32/69/92/552326992.db2.gz NJLXHBSYVWGDDN-SMDDNHRTSA-N 1 2 387.705 2.895 10 0 GFAELO COC(=O)C[C@H](NC(=O)CCc1c[nH+]c[nH]1)c1cccc(Br)c1 ZINC000189217673 552466068 /nfs/dbraw/zinc/46/60/68/552466068.db2.gz CJMJDIRQQMPLQI-AWEZNQCLSA-N 1 2 380.242 2.525 10 0 GFAELO COC(=O)C[C@H](NC(=O)CCc1c[nH]c[nH+]1)c1cccc(Br)c1 ZINC000189217673 552466069 /nfs/dbraw/zinc/46/60/69/552466069.db2.gz CJMJDIRQQMPLQI-AWEZNQCLSA-N 1 2 380.242 2.525 10 0 GFAELO CCOc1ccc(NC(=O)NC[C@H](C)[NH+]2CCOCC2)cc1Br ZINC000189489086 552473070 /nfs/dbraw/zinc/47/30/70/552473070.db2.gz WIXPTURHSKSSLI-LBPRGKRZSA-N 1 2 386.290 2.690 10 0 GFAELO CCOCC[N@@H+]1CCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)C[C@H]1C ZINC000189659129 552476904 /nfs/dbraw/zinc/47/69/04/552476904.db2.gz DNXQMOVSGZKNMZ-GFCCVEGCSA-N 1 2 382.917 2.974 10 0 GFAELO CCOCC[N@H+]1CCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)C[C@H]1C ZINC000189659129 552476907 /nfs/dbraw/zinc/47/69/07/552476907.db2.gz DNXQMOVSGZKNMZ-GFCCVEGCSA-N 1 2 382.917 2.974 10 0 GFAELO CC[C@@H]1CN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC[N@@H+]1CCOC ZINC000189660777 552476993 /nfs/dbraw/zinc/47/69/93/552476993.db2.gz RGGNSLRXPBMVOX-GFCCVEGCSA-N 1 2 382.917 2.974 10 0 GFAELO CC[C@@H]1CN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC[N@H+]1CCOC ZINC000189660777 552476997 /nfs/dbraw/zinc/47/69/97/552476997.db2.gz RGGNSLRXPBMVOX-GFCCVEGCSA-N 1 2 382.917 2.974 10 0 GFAELO C[C@@H](CNC(=O)Nc1cc(F)cc(F)c1Br)[NH+]1CCOCC1 ZINC000190627492 552504058 /nfs/dbraw/zinc/50/40/58/552504058.db2.gz MDULBZDFTMEXSS-VIFPVBQESA-N 1 2 378.217 2.570 10 0 GFAELO CC(C)n1cc[nH+]c1C[S@@](=O)CC(=O)NCCOc1ccc(Cl)cc1 ZINC000194262889 553015856 /nfs/dbraw/zinc/01/58/56/553015856.db2.gz WKSFCMTTXKIWLV-RUZDIDTESA-N 1 2 383.901 2.561 10 0 GFAELO COc1sc(CN2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cc1Br ZINC000245723158 553095658 /nfs/dbraw/zinc/09/56/58/553095658.db2.gz IIPDNCWFGHYWHU-SMDDNHRTSA-N 1 2 375.332 2.672 10 0 GFAELO COc1ccc(S(=O)(=O)NC[C@@H]2CCn3cc[nH+]c3C2)c(Cl)c1Cl ZINC000328637929 563462517 /nfs/dbraw/zinc/46/25/17/563462517.db2.gz WCNXWELPYZHODA-SNVBAGLBSA-N 1 2 390.292 2.739 10 0 GFAELO Brc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](n4cncn4)C3)o2)o1 ZINC000106219101 655105332 /nfs/dbraw/zinc/10/53/32/655105332.db2.gz HZBWDLLHSJGNBM-SNVBAGLBSA-N 1 2 379.218 2.521 10 0 GFAELO Brc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](n4cncn4)C3)o2)o1 ZINC000106219101 655105336 /nfs/dbraw/zinc/10/53/36/655105336.db2.gz HZBWDLLHSJGNBM-SNVBAGLBSA-N 1 2 379.218 2.521 10 0 GFAELO C[N@H+](CCc1ccc(Br)cc1)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000106854533 655112446 /nfs/dbraw/zinc/11/24/46/655112446.db2.gz ILZSYYBZQDXRGE-HOTGVXAUSA-N 1 2 377.282 2.832 10 0 GFAELO C[N@@H+](CCc1ccc(Br)cc1)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000106854533 655112448 /nfs/dbraw/zinc/11/24/48/655112448.db2.gz ILZSYYBZQDXRGE-HOTGVXAUSA-N 1 2 377.282 2.832 10 0 GFAELO Cn1cc(C[N@@H+]2CCCN(C(=O)c3c(F)cccc3Br)CC2)cn1 ZINC000176516591 655248868 /nfs/dbraw/zinc/24/88/68/655248868.db2.gz AMFCIJPONNNHAR-UHFFFAOYSA-N 1 2 395.276 2.670 10 0 GFAELO Cn1cc(C[N@H+]2CCCN(C(=O)c3c(F)cccc3Br)CC2)cn1 ZINC000176516591 655248870 /nfs/dbraw/zinc/24/88/70/655248870.db2.gz AMFCIJPONNNHAR-UHFFFAOYSA-N 1 2 395.276 2.670 10 0 GFAELO C[C@H](CNC(=O)N1CCSC[C@H]1c1ccc(Cl)cc1)[NH+]1CCOCC1 ZINC000116528991 655249052 /nfs/dbraw/zinc/24/90/52/655249052.db2.gz UJMKRVMSCGPTIA-PBHICJAKSA-N 1 2 383.945 2.860 10 0 GFAELO CC[C@@H]1C[N@H+](CCNC(=O)c2noc3c2CCCC3)Cc2cc(OC)ccc2O1 ZINC000299774417 212035656 /nfs/dbraw/zinc/03/56/56/212035656.db2.gz HPERRRCJVYKVLQ-MRXNPFEDSA-N 1 2 399.491 2.965 10 0 GFAELO CC[C@@H]1C[N@@H+](CCNC(=O)c2noc3c2CCCC3)Cc2cc(OC)ccc2O1 ZINC000299774417 212035657 /nfs/dbraw/zinc/03/56/57/212035657.db2.gz HPERRRCJVYKVLQ-MRXNPFEDSA-N 1 2 399.491 2.965 10 0 GFAELO O=c1cc(Cc2cccc(F)c2)nc(-c2ccccc2C[NH+]2CCOCC2)[nH]1 ZINC000020534380 210345976 /nfs/dbraw/zinc/34/59/76/210345976.db2.gz RQXOLWCJMJXSQU-UHFFFAOYSA-N 1 2 379.435 2.999 10 0 GFAELO O=C(NCc1ccccn1)c1ccc(OC2CC[NH+](Cc3cc[nH]n3)CC2)cc1 ZINC000011819667 221129934 /nfs/dbraw/zinc/12/99/34/221129934.db2.gz JSOYGYAXYPYIFI-UHFFFAOYSA-N 1 2 391.475 2.778 10 0 GFAELO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)c3cncs3)C2)CC1 ZINC000064015412 537068884 /nfs/dbraw/zinc/06/88/84/537068884.db2.gz ORHLXSSKECEKTE-MRXNPFEDSA-N 1 2 386.521 2.579 10 0 GFAELO C[C@H](CNC(=O)N[C@@H](C)CCc1ccc(Br)cc1)[NH+]1CCOCC1 ZINC000054648477 551169957 /nfs/dbraw/zinc/16/99/57/551169957.db2.gz BUCNXRNOYGWAGJ-LSDHHAIUSA-N 1 2 398.345 2.790 10 0 GFAELO C[N@@H+]1CCO[C@@H](CNC(=O)N(Cc2csc(Br)c2)C2CC2)C1 ZINC000125681038 551322759 /nfs/dbraw/zinc/32/27/59/551322759.db2.gz UWVAXLGRTJELPO-ZDUSSCGKSA-N 1 2 388.331 2.515 10 0 GFAELO C[N@H+]1CCO[C@@H](CNC(=O)N(Cc2csc(Br)c2)C2CC2)C1 ZINC000125681038 551322760 /nfs/dbraw/zinc/32/27/60/551322760.db2.gz UWVAXLGRTJELPO-ZDUSSCGKSA-N 1 2 388.331 2.515 10 0 GFAELO Cn1nc(Br)c2c1nc[nH+]c2NCC[C@H]1C(=O)Nc2ccccc21 ZINC000171131107 551647835 /nfs/dbraw/zinc/64/78/35/551647835.db2.gz KYOBAAZSQBXPKP-SNVBAGLBSA-N 1 2 387.241 2.664 10 0 GFAELO O=C(CCCOc1ccccc1Br)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172760323 551686308 /nfs/dbraw/zinc/68/63/08/551686308.db2.gz YDATYDOVCKFFAY-OAHLLOKOSA-N 1 2 397.313 2.541 10 0 GFAELO Cc1nc(-c2cccs2)sc1C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173826490 552093273 /nfs/dbraw/zinc/09/32/73/552093273.db2.gz FENLXOJJIILXMV-TZMCWYRMSA-N 1 2 377.535 2.973 10 0 GFAELO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000173844526 552093565 /nfs/dbraw/zinc/09/35/65/552093565.db2.gz HUFVQURRGVZYRP-BNEJOLLZSA-N 1 2 393.325 2.732 10 0 GFAELO CCc1nnc(NC(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)s1 ZINC000175086111 552115421 /nfs/dbraw/zinc/11/54/21/552115421.db2.gz AIKBEMIRQPQXKB-NEPJUHHUSA-N 1 2 381.527 2.746 10 0 GFAELO CCc1nnc(NC(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)s1 ZINC000175086111 552115422 /nfs/dbraw/zinc/11/54/22/552115422.db2.gz AIKBEMIRQPQXKB-NEPJUHHUSA-N 1 2 381.527 2.746 10 0 GFAELO CN(C)c1[nH+]cccc1N(C)S(=O)(=O)c1ccc(Br)s1 ZINC000175869627 552131091 /nfs/dbraw/zinc/13/10/91/552131091.db2.gz RJMSLABHOYMJFW-UHFFFAOYSA-N 1 2 376.301 2.797 10 0 GFAELO O=C(Nc1ccc(Cl)c(OC(F)F)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000180146829 552214992 /nfs/dbraw/zinc/21/49/92/552214992.db2.gz FFTPNOWXSMQGJC-LBPRGKRZSA-N 1 2 375.803 2.880 10 0 GFAELO C[N@@H+]1CCO[C@H](CNC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)C1 ZINC000189158194 552464472 /nfs/dbraw/zinc/46/44/72/552464472.db2.gz YAUYMOUAHLNARB-GFCCVEGCSA-N 1 2 376.806 2.837 10 0 GFAELO C[N@H+]1CCO[C@H](CNC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)C1 ZINC000189158194 552464473 /nfs/dbraw/zinc/46/44/73/552464473.db2.gz YAUYMOUAHLNARB-GFCCVEGCSA-N 1 2 376.806 2.837 10 0 GFAELO O=C1[C@H]([N@@H+]2CC[C@H](N3CCOCC3)C2)CCN1c1ccc(Cl)cc1Cl ZINC000190603516 552502887 /nfs/dbraw/zinc/50/28/87/552502887.db2.gz FLSKVZOUUKPXIR-WMLDXEAASA-N 1 2 384.307 2.505 10 0 GFAELO O=C1[C@H]([N@H+]2CC[C@H](N3CCOCC3)C2)CCN1c1ccc(Cl)cc1Cl ZINC000190603516 552502888 /nfs/dbraw/zinc/50/28/88/552502888.db2.gz FLSKVZOUUKPXIR-WMLDXEAASA-N 1 2 384.307 2.505 10 0 GFAELO O=C1[C@H](N2CC[C@H]([NH+]3CCOCC3)C2)CCN1c1ccc(Cl)cc1Cl ZINC000190603516 552502890 /nfs/dbraw/zinc/50/28/90/552502890.db2.gz FLSKVZOUUKPXIR-WMLDXEAASA-N 1 2 384.307 2.505 10 0 GFAELO CCn1cc([C@@H]2CN(Cc3c[nH+]c4ccc(Br)cn34)CCO2)cn1 ZINC000191714361 552535747 /nfs/dbraw/zinc/53/57/47/552535747.db2.gz WFULHEPEUWUMIA-INIZCTEOSA-N 1 2 390.285 2.887 10 0 GFAELO COC(=O)[C@@H](c1cccc(Br)c1)[N@H+](C)C[C@H](O)COC(C)(C)C ZINC000245902564 553099096 /nfs/dbraw/zinc/09/90/96/553099096.db2.gz LJLKXEUCKFMQKD-LSDHHAIUSA-N 1 2 388.302 2.771 10 0 GFAELO COC(=O)[C@@H](c1cccc(Br)c1)[N@@H+](C)C[C@H](O)COC(C)(C)C ZINC000245902564 553099099 /nfs/dbraw/zinc/09/90/99/553099099.db2.gz LJLKXEUCKFMQKD-LSDHHAIUSA-N 1 2 388.302 2.771 10 0 GFAELO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000246282194 553105553 /nfs/dbraw/zinc/10/55/53/553105553.db2.gz ALUCHTHCRBKAMF-IOASZLSFSA-N 1 2 386.323 2.973 10 0 GFAELO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246282194 553105557 /nfs/dbraw/zinc/10/55/57/553105557.db2.gz ALUCHTHCRBKAMF-IOASZLSFSA-N 1 2 386.323 2.973 10 0 GFAELO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246282194 553105561 /nfs/dbraw/zinc/10/55/61/553105561.db2.gz ALUCHTHCRBKAMF-IOASZLSFSA-N 1 2 386.323 2.973 10 0 GFAELO COc1ccc(CN2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c(Br)c1OC ZINC000246503352 553108394 /nfs/dbraw/zinc/10/83/94/553108394.db2.gz QCCWBJXHWBCHOQ-DZGCQCFKSA-N 1 2 399.329 2.619 10 0 GFAELO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000246573383 553109818 /nfs/dbraw/zinc/10/98/18/553109818.db2.gz VOLZPUMEKDPVBJ-XNJGSVPQSA-N 1 2 386.323 2.973 10 0 GFAELO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246573383 553109819 /nfs/dbraw/zinc/10/98/19/553109819.db2.gz VOLZPUMEKDPVBJ-XNJGSVPQSA-N 1 2 386.323 2.973 10 0 GFAELO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246573383 553109820 /nfs/dbraw/zinc/10/98/20/553109820.db2.gz VOLZPUMEKDPVBJ-XNJGSVPQSA-N 1 2 386.323 2.973 10 0 GFAELO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246967984 553116716 /nfs/dbraw/zinc/11/67/16/553116716.db2.gz QATNMDIVUDZEFW-KCQAQPDRSA-N 1 2 387.307 2.940 10 0 GFAELO OC[C@H]1CCCN1c1cc(N2CCc3cccc(Br)c3C2)[nH+]cn1 ZINC000301283134 563399398 /nfs/dbraw/zinc/39/93/98/563399398.db2.gz LLHLABLKDDTHKI-CQSZACIVSA-N 1 2 389.297 2.763 10 0 GFAELO OC[C@H]1CCCN1c1cc(N2CCc3cccc(Br)c3C2)nc[nH+]1 ZINC000301283134 563399402 /nfs/dbraw/zinc/39/94/02/563399402.db2.gz LLHLABLKDDTHKI-CQSZACIVSA-N 1 2 389.297 2.763 10 0 GFAELO O=c1c2cc(-c3cccs3)nn2ccn1Cc1noc(C[NH+]2CCCCC2)n1 ZINC000065235989 570860685 /nfs/dbraw/zinc/86/06/85/570860685.db2.gz QWWRSQAZQVVPAO-UHFFFAOYSA-N 1 2 396.476 2.642 10 0 GFAELO Cc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000127888085 654836828 /nfs/dbraw/zinc/83/68/28/654836828.db2.gz YWKZPGYPYJNEHJ-CYBMUJFWSA-N 1 2 384.299 2.807 10 0 GFAELO O=C(CCCCc1ccc(Cl)c(Cl)c1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000132468569 654938505 /nfs/dbraw/zinc/93/85/05/654938505.db2.gz ZGAIINZKLLESEU-HNNXBMFYSA-N 1 2 389.323 2.516 10 0 GFAELO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cn3nc(C)c(Br)c3C)C2)n1 ZINC000152732421 655061355 /nfs/dbraw/zinc/06/13/55/655061355.db2.gz ZVLMYWLGFDIAMZ-OAHLLOKOSA-N 1 2 381.322 2.840 10 0 GFAELO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cn3nc(C)c(Br)c3C)C2)n1 ZINC000152732421 655061356 /nfs/dbraw/zinc/06/13/56/655061356.db2.gz ZVLMYWLGFDIAMZ-OAHLLOKOSA-N 1 2 381.322 2.840 10 0 GFAELO Brc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](n4cncn4)C3)o2)o1 ZINC000106219098 655105292 /nfs/dbraw/zinc/10/52/92/655105292.db2.gz HZBWDLLHSJGNBM-JTQLQIEISA-N 1 2 379.218 2.521 10 0 GFAELO Brc1ccc(-c2nnc(C[N@H+]3CCC[C@H](n4cncn4)C3)o2)o1 ZINC000106219098 655105293 /nfs/dbraw/zinc/10/52/93/655105293.db2.gz HZBWDLLHSJGNBM-JTQLQIEISA-N 1 2 379.218 2.521 10 0 GFAELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3nc(Cl)ccc3Cl)CC2)cn1 ZINC000109663211 655150087 /nfs/dbraw/zinc/15/00/87/655150087.db2.gz JKDFMRAJVHPTGY-UHFFFAOYSA-N 1 2 382.295 2.953 10 0 GFAELO CCn1cc(C[N@H+]2CCCN(C(=O)c3nc(Cl)ccc3Cl)CC2)cn1 ZINC000109663211 655150091 /nfs/dbraw/zinc/15/00/91/655150091.db2.gz JKDFMRAJVHPTGY-UHFFFAOYSA-N 1 2 382.295 2.953 10 0 GFAELO O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000173728205 655177915 /nfs/dbraw/zinc/17/79/15/655177915.db2.gz HOBVDVKNFVZKCU-LLVKDONJSA-N 1 2 377.363 2.894 10 0 GFAELO CCOc1ccc(Br)cc1NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173901162 655184355 /nfs/dbraw/zinc/18/43/55/655184355.db2.gz VZJZSLYSMBOXNA-AWEZNQCLSA-N 1 2 398.301 2.786 10 0 GFAELO CC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000117236802 655261992 /nfs/dbraw/zinc/26/19/92/655261992.db2.gz QLQDCXVFLDZGMQ-GDBMZVCRSA-N 1 2 383.330 2.855 10 0 GFAELO CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2c(Cl)ccc(F)c2Cl)CC1 ZINC000120720861 655343138 /nfs/dbraw/zinc/34/31/38/655343138.db2.gz SHJNYOAZLPUTAT-GHMZBOCLSA-N 1 2 390.286 2.862 10 0 GFAELO CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2c(Cl)ccc(F)c2Cl)CC1 ZINC000120720715 655343206 /nfs/dbraw/zinc/34/32/06/655343206.db2.gz SHJNYOAZLPUTAT-WDEREUQCSA-N 1 2 390.286 2.862 10 0 GFAELO COCCn1c(C(=O)NCCCn2cc[nH+]c2)cc2oc(Br)cc21 ZINC000223715080 655422489 /nfs/dbraw/zinc/42/24/89/655422489.db2.gz KDVTXTNWDISNCQ-UHFFFAOYSA-N 1 2 395.257 2.660 10 0 GFAELO CCOC(=O)C(=O)Nc1c[nH+]c(C)n1-c1nc(-c2cccc(OC)c2)cs1 ZINC000032641703 209179424 /nfs/dbraw/zinc/17/94/24/209179424.db2.gz YQSFDGIGZZPFTI-UHFFFAOYSA-N 1 2 386.433 2.814 10 0 GFAELO Cn1c[nH+]c2c1[C@@H](C(=O)NC1CCCCCC1)N(C(=O)c1ccccc1)CC2 ZINC000096091493 211300448 /nfs/dbraw/zinc/30/04/48/211300448.db2.gz LALWJCNYKDHCHA-FQEVSTJZSA-N 1 2 380.492 2.999 10 0 GFAELO C[C@H]1C[N@@H+]([C@@H](CNC(=O)CSCC(F)(F)F)c2cccs2)CCO1 ZINC000121188443 551229206 /nfs/dbraw/zinc/22/92/06/551229206.db2.gz MOSQLVITBZYYMB-RYUDHWBXSA-N 1 2 382.473 2.922 10 0 GFAELO C[C@H]1C[N@H+]([C@@H](CNC(=O)CSCC(F)(F)F)c2cccs2)CCO1 ZINC000121188443 551229207 /nfs/dbraw/zinc/22/92/07/551229207.db2.gz MOSQLVITBZYYMB-RYUDHWBXSA-N 1 2 382.473 2.922 10 0 GFAELO C[N@@H+]1CCO[C@H](CNC(=O)Nc2cc(Br)ccc2N2CCCC2)C1 ZINC000154577918 551478406 /nfs/dbraw/zinc/47/84/06/551478406.db2.gz OWBBFLCVEGDNCQ-CQSZACIVSA-N 1 2 397.317 2.501 10 0 GFAELO C[N@H+]1CCO[C@H](CNC(=O)Nc2cc(Br)ccc2N2CCCC2)C1 ZINC000154577918 551478407 /nfs/dbraw/zinc/47/84/07/551478407.db2.gz OWBBFLCVEGDNCQ-CQSZACIVSA-N 1 2 397.317 2.501 10 0 GFAELO Cc1sc(Br)cc1S(=O)(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000155342577 551497920 /nfs/dbraw/zinc/49/79/20/551497920.db2.gz HUNAIHQSYPJZKN-LLVKDONJSA-N 1 2 390.328 2.869 10 0 GFAELO CC(C)n1cc[nH+]c1CSc1nnc(-c2cncc(Br)c2)n1N ZINC000172525198 551680943 /nfs/dbraw/zinc/68/09/43/551680943.db2.gz WIXMJWJZFQQIAY-UHFFFAOYSA-N 1 2 394.302 2.886 10 0 GFAELO O=C(CCCOc1ccccc1Br)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172760317 551686305 /nfs/dbraw/zinc/68/63/05/551686305.db2.gz YDATYDOVCKFFAY-HNNXBMFYSA-N 1 2 397.313 2.541 10 0 GFAELO CCn1nc(C)c(C(=O)N2CCC[N@H+](Cc3csc(C)n3)CC2)c1Cl ZINC000173568275 552088573 /nfs/dbraw/zinc/08/85/73/552088573.db2.gz OVYYIRRTFXKXSO-UHFFFAOYSA-N 1 2 381.933 2.978 10 0 GFAELO CCn1nc(C)c(C(=O)N2CCC[N@@H+](Cc3csc(C)n3)CC2)c1Cl ZINC000173568275 552088574 /nfs/dbraw/zinc/08/85/74/552088574.db2.gz OVYYIRRTFXKXSO-UHFFFAOYSA-N 1 2 381.933 2.978 10 0 GFAELO C[C@H]1CN(C(=O)C2(c3ccc(Br)cc3)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000173839539 552093720 /nfs/dbraw/zinc/09/37/20/552093720.db2.gz VKRUVBDDXKABFF-YOEHRIQHSA-N 1 2 393.325 2.660 10 0 GFAELO C[C@H]1Cc2cc(S(=O)(=O)N3CCC[C@@H]3Cn3cc[nH+]c3)cc(Cl)c2O1 ZINC000173837161 552093870 /nfs/dbraw/zinc/09/38/70/552093870.db2.gz RSLSXKZWUSZYIX-GXTWGEPZSA-N 1 2 381.885 2.713 10 0 GFAELO CC(C)n1cc(Br)cc1C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173888022 552095270 /nfs/dbraw/zinc/09/52/70/552095270.db2.gz MDOOZIKUBCBLQZ-XJKSGUPXSA-N 1 2 384.318 2.624 10 0 GFAELO C[C@@H](CNC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)[NH+]1CCOCC1 ZINC000179670098 552199825 /nfs/dbraw/zinc/19/98/25/552199825.db2.gz NQRQTBUGUOWPML-LBPRGKRZSA-N 1 2 383.279 2.630 10 0 GFAELO COc1cc(Br)ccc1CCC[N@@H+]1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000181923551 552270899 /nfs/dbraw/zinc/27/08/99/552270899.db2.gz JJROUDYHCPZSIT-MRXNPFEDSA-N 1 2 395.301 2.890 10 0 GFAELO COc1cc(Br)ccc1CCC[N@H+]1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000181923551 552270901 /nfs/dbraw/zinc/27/09/01/552270901.db2.gz JJROUDYHCPZSIT-MRXNPFEDSA-N 1 2 395.301 2.890 10 0 GFAELO COc1cc(Br)ccc1CCC[N@@H+]1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000181923551 552270902 /nfs/dbraw/zinc/27/09/02/552270902.db2.gz JJROUDYHCPZSIT-MRXNPFEDSA-N 1 2 395.301 2.890 10 0 GFAELO COc1cc(Br)ccc1CCC[N@H+]1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000181923551 552270903 /nfs/dbraw/zinc/27/09/03/552270903.db2.gz JJROUDYHCPZSIT-MRXNPFEDSA-N 1 2 395.301 2.890 10 0 GFAELO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ncc(Br)s3)C2=O)n(C)n1 ZINC000182349837 552281588 /nfs/dbraw/zinc/28/15/88/552281588.db2.gz MBZYKLQKULSESX-QWRGUYRKSA-N 1 2 398.330 2.794 10 0 GFAELO COc1cc(C)c(Br)cc1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000184537061 552338050 /nfs/dbraw/zinc/33/80/50/552338050.db2.gz IEEIXMHFBNGFMN-CYBMUJFWSA-N 1 2 398.301 2.705 10 0 GFAELO CC[C@@H](NC(=O)CS(=O)(=O)Cc1[nH+]ccn1CC)c1ccc(Cl)cc1 ZINC000194421475 553020580 /nfs/dbraw/zinc/02/05/80/553020580.db2.gz PMLCMMPSSMMJEA-OAHLLOKOSA-N 1 2 383.901 2.739 10 0 GFAELO C[C@H](Cc1ccc(Br)cc1)C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000245691853 553095531 /nfs/dbraw/zinc/09/55/31/553095531.db2.gz APXJDRRDSMZXDN-VKJFTORMSA-N 1 2 395.341 2.807 10 0 GFAELO Cc1nc(C[C@@H]2CCC[N@@H+]([C@@H](C(N)=O)c3ccc(Br)cc3)C2)no1 ZINC000245920816 553099602 /nfs/dbraw/zinc/09/96/02/553099602.db2.gz UAVGPVNANRRQEJ-BLLLJJGKSA-N 1 2 393.285 2.622 10 0 GFAELO Cc1nc(C[C@@H]2CCC[N@H+]([C@@H](C(N)=O)c3ccc(Br)cc3)C2)no1 ZINC000245920816 553099604 /nfs/dbraw/zinc/09/96/04/553099604.db2.gz UAVGPVNANRRQEJ-BLLLJJGKSA-N 1 2 393.285 2.622 10 0 GFAELO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000246903898 553115043 /nfs/dbraw/zinc/11/50/43/553115043.db2.gz HYQVQVKGBGZAOY-DCGLDWPTSA-N 1 2 387.307 2.940 10 0 GFAELO CCOC(=O)N1CCC[C@@H]([C@H](C)Nc2nc(NC)c(Br)c[nH+]2)C1 ZINC000302538175 563426130 /nfs/dbraw/zinc/42/61/30/563426130.db2.gz NCLPKPTVCHYOFY-WDEREUQCSA-N 1 2 386.294 2.950 10 0 GFAELO O=S(=O)(NC[C@H]1CCn2cc[nH+]c2C1)c1ccc(F)c(C(F)(F)F)c1 ZINC000328631683 563461586 /nfs/dbraw/zinc/46/15/86/563461586.db2.gz RHMAPXXLSZSAIS-JTQLQIEISA-N 1 2 377.363 2.582 10 0 GFAELO CN(C)c1ccc(N[C@@H]2CCCN(C(=O)[C@@H]3CSCCS3)CC2)c[nH+]1 ZINC000328633735 563461694 /nfs/dbraw/zinc/46/16/94/563461694.db2.gz MGBQDXDFERSSGN-ZBFHGGJFSA-N 1 2 380.583 2.789 10 0 GFAELO COc1ccc2nc(C[NH2+]Cc3cn(CCC(N)=O)c4ccccc34)[nH]c2c1 ZINC000055036332 570679690 /nfs/dbraw/zinc/67/96/90/570679690.db2.gz CHLUUEQMICZERU-UHFFFAOYSA-N 1 2 377.448 2.691 10 0 GFAELO COc1ccc(NC(=O)N2CCN(c3[nH+]c4ccccc4n3C)CC2)c(OC)c1 ZINC000033106526 570811077 /nfs/dbraw/zinc/81/10/77/570811077.db2.gz ZZLQWQPPBDPTCR-UHFFFAOYSA-N 1 2 395.463 2.945 10 0 GFAELO Cc1ccc(Br)c(S(=O)(=O)N2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000127888327 654836853 /nfs/dbraw/zinc/83/68/53/654836853.db2.gz YWKZPGYPYJNEHJ-ZDUSSCGKSA-N 1 2 384.299 2.807 10 0 GFAELO CC[C@H](Cc1ccccc1Br)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000134283985 654989300 /nfs/dbraw/zinc/98/93/00/654989300.db2.gz UTMYAYRPYSYBNJ-WBVHZDCISA-N 1 2 395.341 2.951 10 0 GFAELO C[C@@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccccc1Br ZINC000173766313 655180668 /nfs/dbraw/zinc/18/06/68/655180668.db2.gz FUYYJLSNYKTJDX-KGLIPLIRSA-N 1 2 382.302 2.626 10 0 GFAELO O=C(N[C@@H]1CCc2c1cccc2Br)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173908050 655184950 /nfs/dbraw/zinc/18/49/50/655184950.db2.gz XJCKUEMSTWWBQH-CXAGYDPISA-N 1 2 394.313 2.553 10 0 GFAELO Cc1ccc(C[NH+]2CCN(c3ccc4nncn4n3)CC2)c(Br)c1 ZINC000120495564 655337193 /nfs/dbraw/zinc/33/71/93/655337193.db2.gz GGXHUUMJPWMXAE-UHFFFAOYSA-N 1 2 387.285 2.517 10 0 GFAELO Cc1ccc(Nc2nc(N3CCOCC3)[nH+]c(N3C[C@H](C)O[C@@H](C)C3)n2)cc1C ZINC000028218711 209180852 /nfs/dbraw/zinc/18/08/52/209180852.db2.gz NIVBRLITHDHJOQ-IRXDYDNUSA-N 1 2 398.511 2.682 10 0 GFAELO COc1ccccc1N1CC[NH+](CCNc2nc(C)c(C(C)=O)c(C)n2)CC1 ZINC000067924191 211029737 /nfs/dbraw/zinc/02/97/37/211029737.db2.gz SASFUNXGPNBZOR-UHFFFAOYSA-N 1 2 383.496 2.539 10 0 GFAELO CC(C)(C)OC[C@H](O)C[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000120009553 551218842 /nfs/dbraw/zinc/21/88/42/551218842.db2.gz CSQCGQQXJCUCFA-MRXNPFEDSA-N 1 2 389.323 2.927 10 0 GFAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)CSCC(F)(F)F)CC2)cn1 ZINC000127035029 551336279 /nfs/dbraw/zinc/33/62/79/551336279.db2.gz JMHKHTUYNSJFOH-UHFFFAOYSA-N 1 2 378.464 2.623 10 0 GFAELO CCCn1cc(C[N@H+]2CCCN(C(=O)CSCC(F)(F)F)CC2)cn1 ZINC000127035029 551336280 /nfs/dbraw/zinc/33/62/80/551336280.db2.gz JMHKHTUYNSJFOH-UHFFFAOYSA-N 1 2 378.464 2.623 10 0 GFAELO C[C@@H](CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000154035855 551465870 /nfs/dbraw/zinc/46/58/70/551465870.db2.gz PAZUOZYFYITYAO-YOEHRIQHSA-N 1 2 381.314 2.876 10 0 GFAELO Cc1csc([C@@H]2C[N@H+](CCC(=O)N3CCc4sccc4C3)CCO2)n1 ZINC000157774211 551542911 /nfs/dbraw/zinc/54/29/11/551542911.db2.gz SFHFKEMUEHLWGW-HNNXBMFYSA-N 1 2 377.535 2.861 10 0 GFAELO Cc1csc([C@@H]2C[N@@H+](CCC(=O)N3CCc4sccc4C3)CCO2)n1 ZINC000157774211 551542913 /nfs/dbraw/zinc/54/29/13/551542913.db2.gz SFHFKEMUEHLWGW-HNNXBMFYSA-N 1 2 377.535 2.861 10 0 GFAELO C[C@@H]1CN(C(=O)c2ccc(Br)c(Cl)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000157999020 551545755 /nfs/dbraw/zinc/54/57/55/551545755.db2.gz KHWIZROLNBJKAC-ABAIWWIYSA-N 1 2 387.705 2.895 10 0 GFAELO CC(C)n1cc[nH+]c1CS(=O)(=O)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000171674936 551660843 /nfs/dbraw/zinc/66/08/43/551660843.db2.gz LOSRTWQLXUYIBD-ZDUSSCGKSA-N 1 2 383.901 2.737 10 0 GFAELO COc1ccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c(Br)c1OC ZINC000171706013 551661315 /nfs/dbraw/zinc/66/13/15/551661315.db2.gz DAQPPEWXKNFAOU-CYBMUJFWSA-N 1 2 381.274 2.895 10 0 GFAELO COc1ccc(C[N@H+]2CCC[C@@H](n3cncn3)C2)c(Br)c1OC ZINC000171706013 551661317 /nfs/dbraw/zinc/66/13/17/551661317.db2.gz DAQPPEWXKNFAOU-CYBMUJFWSA-N 1 2 381.274 2.895 10 0 GFAELO COC(=O)C1([NH2+]C[C@H](O)COc2cccc(Br)c2)CCCCC1 ZINC000171943513 551666619 /nfs/dbraw/zinc/66/66/19/551666619.db2.gz HIUXPIAINBVOAR-AWEZNQCLSA-N 1 2 386.286 2.654 10 0 GFAELO O=C(c1cc2c(cc(Br)cc2F)[nH]1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172744077 551686375 /nfs/dbraw/zinc/68/63/75/551686375.db2.gz KAROJQBJIXFQLS-GFCCVEGCSA-N 1 2 396.260 2.616 10 0 GFAELO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c(Br)c1 ZINC000173836146 552093673 /nfs/dbraw/zinc/09/36/73/552093673.db2.gz UIUHCSCCEOGKCN-CYBMUJFWSA-N 1 2 384.299 2.807 10 0 GFAELO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000177235653 552152350 /nfs/dbraw/zinc/15/23/50/552152350.db2.gz HOUQRBORTXGFQU-IGCXYCKISA-N 1 2 386.323 2.973 10 0 GFAELO C[C@H](CNC(=O)c1ccc(Br)cc1C(F)(F)F)[NH+]1CCOCC1 ZINC000180385334 552225087 /nfs/dbraw/zinc/22/50/87/552225087.db2.gz GYJFIMPMOJPHLH-SNVBAGLBSA-N 1 2 395.219 2.918 10 0 GFAELO Cc1nc(C[N@H+]2CCCN(C(=O)NC[C@H](C)c3nccs3)CC2)cs1 ZINC000184230946 552330374 /nfs/dbraw/zinc/33/03/74/552330374.db2.gz ILAUDMPIJJUPQT-ZDUSSCGKSA-N 1 2 379.555 2.929 10 0 GFAELO Cc1nc(C[N@@H+]2CCCN(C(=O)NC[C@H](C)c3nccs3)CC2)cs1 ZINC000184230946 552330375 /nfs/dbraw/zinc/33/03/75/552330375.db2.gz ILAUDMPIJJUPQT-ZDUSSCGKSA-N 1 2 379.555 2.929 10 0 GFAELO CCCC[N@H+]1CCOC[C@H]1C(=O)NCCc1ccc(Br)s1 ZINC000184322522 552332718 /nfs/dbraw/zinc/33/27/18/552332718.db2.gz VAQOIJUPXBJNBW-ZDUSSCGKSA-N 1 2 375.332 2.670 10 0 GFAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)NCCc1ccc(Br)s1 ZINC000184322522 552332714 /nfs/dbraw/zinc/33/27/14/552332714.db2.gz VAQOIJUPXBJNBW-ZDUSSCGKSA-N 1 2 375.332 2.670 10 0 GFAELO O=C([C@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl)N1CC[NH+](CCO)CC1 ZINC000185560525 552365783 /nfs/dbraw/zinc/36/57/83/552365783.db2.gz TZHAVUNAFWAZIC-RDJZCZTQSA-N 1 2 387.307 2.598 10 0 GFAELO CCOCC[N@@H+]1CCN(Cc2cccc(Cl)c2S(=O)(=O)CC)C[C@@H]1C ZINC000186941048 552402586 /nfs/dbraw/zinc/40/25/86/552402586.db2.gz NVYYWOTVLFEQNB-HNNXBMFYSA-N 1 2 388.961 2.676 10 0 GFAELO CCOCC[N@H+]1CCN(Cc2cccc(Cl)c2S(=O)(=O)CC)C[C@@H]1C ZINC000186941048 552402588 /nfs/dbraw/zinc/40/25/88/552402588.db2.gz NVYYWOTVLFEQNB-HNNXBMFYSA-N 1 2 388.961 2.676 10 0 GFAELO Cc1ccc([C@H](CNC(=O)N2CCSCC[C@H]2C)[NH+]2CCOCC2)s1 ZINC000189444293 552472185 /nfs/dbraw/zinc/47/21/85/552472185.db2.gz HUYZMCXBUKRCBM-ZBFHGGJFSA-N 1 2 383.583 2.967 10 0 GFAELO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1Br ZINC000190751644 552508033 /nfs/dbraw/zinc/50/80/33/552508033.db2.gz XCRVXXJHXWRGNJ-CQSZACIVSA-N 1 2 391.269 2.584 10 0 GFAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1cc2sc3ccccc3c2s1 ZINC000192709981 552971772 /nfs/dbraw/zinc/97/17/72/552971772.db2.gz TXFMVOYJVRFOQP-GFCCVEGCSA-N 1 2 376.503 2.539 10 0 GFAELO OC[C@@H]1CCCN1c1cc(N2CCc3c(Br)cccc3C2)[nH+]cn1 ZINC000301247232 563397752 /nfs/dbraw/zinc/39/77/52/563397752.db2.gz OPLJNTYXNIOPAY-AWEZNQCLSA-N 1 2 389.297 2.763 10 0 GFAELO OC[C@@H]1CCCN1c1cc(N2CCc3c(Br)cccc3C2)nc[nH+]1 ZINC000301247232 563397755 /nfs/dbraw/zinc/39/77/55/563397755.db2.gz OPLJNTYXNIOPAY-AWEZNQCLSA-N 1 2 389.297 2.763 10 0 GFAELO CNc1nc(N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)[nH+]cc1Br ZINC000302761220 563429888 /nfs/dbraw/zinc/42/98/88/563429888.db2.gz YFLVVOLGUFWMGC-CYBMUJFWSA-N 1 2 394.248 2.633 10 0 GFAELO O=C(C[N@@H+]1CCCN(c2cccnn2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000106071120 655101788 /nfs/dbraw/zinc/10/17/88/655101788.db2.gz KYINWPIXWCLAOS-UHFFFAOYSA-N 1 2 380.279 2.934 10 0 GFAELO O=C(C[N@H+]1CCCN(c2cccnn2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000106071120 655101790 /nfs/dbraw/zinc/10/17/90/655101790.db2.gz KYINWPIXWCLAOS-UHFFFAOYSA-N 1 2 380.279 2.934 10 0 GFAELO Cn1cc(C[N@@H+]2CCCN(C(=O)c3ccc(Br)cc3F)CC2)cn1 ZINC000109656081 655149761 /nfs/dbraw/zinc/14/97/61/655149761.db2.gz PRGDJBSHAVBAJT-UHFFFAOYSA-N 1 2 395.276 2.670 10 0 GFAELO Cn1cc(C[N@H+]2CCCN(C(=O)c3ccc(Br)cc3F)CC2)cn1 ZINC000109656081 655149763 /nfs/dbraw/zinc/14/97/63/655149763.db2.gz PRGDJBSHAVBAJT-UHFFFAOYSA-N 1 2 395.276 2.670 10 0 GFAELO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000173766060 655180675 /nfs/dbraw/zinc/18/06/75/655180675.db2.gz IAUNLPRIIWBWIV-BBRMVZONSA-N 1 2 382.302 2.626 10 0 GFAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H]1C ZINC000117521418 655265266 /nfs/dbraw/zinc/26/52/66/655265266.db2.gz UWJLKLUGRAWMFT-LBPRGKRZSA-N 1 2 388.295 2.501 10 0 GFAELO CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H]1C ZINC000117521418 655265270 /nfs/dbraw/zinc/26/52/70/655265270.db2.gz UWJLKLUGRAWMFT-LBPRGKRZSA-N 1 2 388.295 2.501 10 0 GFAELO Cn1c(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc2oc(Br)cc21 ZINC000223697037 655422345 /nfs/dbraw/zinc/42/23/45/655422345.db2.gz VSOUBMBFURWGOU-UHFFFAOYSA-N 1 2 389.253 2.891 10 0 GFAELO Cc1ccc(OCC(=O)N2CC[NH+](Cc3cc(=O)c4ccccc4[nH]3)CC2)cc1 ZINC000015865371 210176722 /nfs/dbraw/zinc/17/67/22/210176722.db2.gz WIIBDKTXXYZFGW-UHFFFAOYSA-N 1 2 391.471 2.560 10 0 GFAELO O=C(C[C@@H]1C(=O)NCC[N@H+]1C/C=C/c1ccccc1)NCCCC1CCCC1 ZINC000013596084 210071048 /nfs/dbraw/zinc/07/10/48/210071048.db2.gz GIEBOQMUQBCKLR-FAKWYAOSSA-N 1 2 383.536 2.977 10 0 GFAELO O=C(C[C@@H]1C(=O)NCC[N@@H+]1C/C=C/c1ccccc1)NCCCC1CCCC1 ZINC000013596084 210071053 /nfs/dbraw/zinc/07/10/53/210071053.db2.gz GIEBOQMUQBCKLR-FAKWYAOSSA-N 1 2 383.536 2.977 10 0 GFAELO O=C(C[C@H]1C(=O)NCC[N@H+]1Cc1ccccc1)N1CC=C(c2ccccc2)CC1 ZINC000012612990 209985924 /nfs/dbraw/zinc/98/59/24/209985924.db2.gz BTGURMZSNXROHZ-QFIPXVFZSA-N 1 2 389.499 2.693 10 0 GFAELO O=C(C[C@H]1C(=O)NCC[N@@H+]1Cc1ccccc1)N1CC=C(c2ccccc2)CC1 ZINC000012612990 209985928 /nfs/dbraw/zinc/98/59/28/209985928.db2.gz BTGURMZSNXROHZ-QFIPXVFZSA-N 1 2 389.499 2.693 10 0 GFAELO Cc1ccc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CC[NH2+]CC4)cc32)c(C)c1 ZINC000005930847 209233094 /nfs/dbraw/zinc/23/30/94/209233094.db2.gz GBUIYURVKFXHFL-UHFFFAOYSA-N 1 2 395.434 2.854 10 0 GFAELO Cc1c[nH]c(CN(C)C(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)[nH+]1 ZINC000020293450 210328022 /nfs/dbraw/zinc/32/80/22/210328022.db2.gz SKDQOTVETSTZOC-UHFFFAOYSA-N 1 2 396.491 2.770 10 0 GFAELO NC(=O)C1CC[NH+](Cc2nc(C3CC3)nn2-c2ccccc2C(F)(F)F)CC1 ZINC000065424497 222129215 /nfs/dbraw/zinc/12/92/15/222129215.db2.gz KGXBYQIBNKNBFO-UHFFFAOYSA-N 1 2 393.413 2.861 10 0 GFAELO COc1ccc(Br)c(C[N@@H+]2CCCN(Cc3cnn(C)c3)CC2)c1 ZINC000121562674 551237270 /nfs/dbraw/zinc/23/72/70/551237270.db2.gz NHYFLRJCBPSIBY-UHFFFAOYSA-N 1 2 393.329 2.899 10 0 GFAELO COc1ccc(Br)c(C[N@H+]2CCCN(Cc3cnn(C)c3)CC2)c1 ZINC000121562674 551237271 /nfs/dbraw/zinc/23/72/71/551237271.db2.gz NHYFLRJCBPSIBY-UHFFFAOYSA-N 1 2 393.329 2.899 10 0 GFAELO C[C@@H](Sc1nc2ccccc2s1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000126443171 551330128 /nfs/dbraw/zinc/33/01/28/551330128.db2.gz KYTNMWRJGBKJQP-ZIAGYGMSSA-N 1 2 377.535 2.710 10 0 GFAELO C[C@@H](Sc1nc2ccccc2s1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000126442734 551330520 /nfs/dbraw/zinc/33/05/20/551330520.db2.gz KYTNMWRJGBKJQP-KGLIPLIRSA-N 1 2 377.535 2.710 10 0 GFAELO C[C@H]1C[N@@H+]([C@@H](CNC(=O)NCCc2cscn2)c2cccs2)CCO1 ZINC000153724222 551459119 /nfs/dbraw/zinc/45/91/19/551459119.db2.gz QQTRNPQLKSQYHC-ZFWWWQNUSA-N 1 2 380.539 2.508 10 0 GFAELO C[C@H]1C[N@H+]([C@@H](CNC(=O)NCCc2cscn2)c2cccs2)CCO1 ZINC000153724222 551459120 /nfs/dbraw/zinc/45/91/20/551459120.db2.gz QQTRNPQLKSQYHC-ZFWWWQNUSA-N 1 2 380.539 2.508 10 0 GFAELO Brc1ccccc1-c1nnc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)o1 ZINC000171528568 551657645 /nfs/dbraw/zinc/65/76/45/551657645.db2.gz BFLZSXZFJOHBAV-GFCCVEGCSA-N 1 2 389.257 2.928 10 0 GFAELO Brc1ccccc1-c1nnc(C[N@H+]2CCC[C@@H](n3cncn3)C2)o1 ZINC000171528568 551657648 /nfs/dbraw/zinc/65/76/48/551657648.db2.gz BFLZSXZFJOHBAV-GFCCVEGCSA-N 1 2 389.257 2.928 10 0 GFAELO COC(=O)C1([NH2+]C[C@@H](O)COc2cccc(Br)c2)CCCCC1 ZINC000171943518 551667022 /nfs/dbraw/zinc/66/70/22/551667022.db2.gz HIUXPIAINBVOAR-CQSZACIVSA-N 1 2 386.286 2.654 10 0 GFAELO Cn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3SCCc4sccc43)CC2)cn1 ZINC000173094563 551696127 /nfs/dbraw/zinc/69/61/27/551696127.db2.gz AIYLPLMBZPHPSS-QGZVFWFLSA-N 1 2 376.551 2.547 10 0 GFAELO Cn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3SCCc4sccc43)CC2)cn1 ZINC000173094563 551696128 /nfs/dbraw/zinc/69/61/28/551696128.db2.gz AIYLPLMBZPHPSS-QGZVFWFLSA-N 1 2 376.551 2.547 10 0 GFAELO Cc1ccc([C@H](CNC(=O)Cc2c(C)noc2Cl)[NH+]2CCOCC2)s1 ZINC000176575375 552141898 /nfs/dbraw/zinc/14/18/98/552141898.db2.gz ZGSLWOOZRXHRDZ-AWEZNQCLSA-N 1 2 383.901 2.739 10 0 GFAELO Cc1nn(C)c(Cl)c1C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000177977176 552162317 /nfs/dbraw/zinc/16/23/17/552162317.db2.gz LASFZDQYICORDB-YPMHNXCESA-N 1 2 382.917 2.635 10 0 GFAELO Cc1nn(C)c(Cl)c1C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000177977176 552162319 /nfs/dbraw/zinc/16/23/19/552162319.db2.gz LASFZDQYICORDB-YPMHNXCESA-N 1 2 382.917 2.635 10 0 GFAELO C[C@H](CNC(=O)NCCOCc1ccc(Cl)cc1Cl)[NH+]1CCOCC1 ZINC000183471489 552310250 /nfs/dbraw/zinc/31/02/50/552310250.db2.gz LZUNSKLPANAIAI-CYBMUJFWSA-N 1 2 390.311 2.530 10 0 GFAELO CCCCSc1ccc(Cl)cc1C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000185014579 552351426 /nfs/dbraw/zinc/35/14/26/552351426.db2.gz JLUBGELIVHXRRZ-OAHLLOKOSA-N 1 2 386.945 2.655 10 0 GFAELO O=C([C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl)N1CC[NH+](CCO)CC1 ZINC000185560465 552365888 /nfs/dbraw/zinc/36/58/88/552365888.db2.gz TZHAVUNAFWAZIC-NVXWUHKLSA-N 1 2 387.307 2.598 10 0 GFAELO O=C(c1ccoc1Br)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000193555933 552996722 /nfs/dbraw/zinc/99/67/22/552996722.db2.gz SGECSYPNQPEJKV-HNNXBMFYSA-N 1 2 379.254 2.534 10 0 GFAELO O=C(Nc1ccc(OCc2ccccc2)c(Br)c1)[C@H]1COCC[NH2+]1 ZINC000236601618 553069668 /nfs/dbraw/zinc/06/96/68/553069668.db2.gz FFDUCWBQZGURGE-MRXNPFEDSA-N 1 2 391.265 2.955 10 0 GFAELO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246282200 553105953 /nfs/dbraw/zinc/10/59/53/553105953.db2.gz ALUCHTHCRBKAMF-XJKCOSOUSA-N 1 2 386.323 2.973 10 0 GFAELO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246282200 553105954 /nfs/dbraw/zinc/10/59/54/553105954.db2.gz ALUCHTHCRBKAMF-XJKCOSOUSA-N 1 2 386.323 2.973 10 0 GFAELO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246282200 553105956 /nfs/dbraw/zinc/10/59/56/553105956.db2.gz ALUCHTHCRBKAMF-XJKCOSOUSA-N 1 2 386.323 2.973 10 0 GFAELO Cc1nc(CC(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)c(C)s1 ZINC000246901988 553114855 /nfs/dbraw/zinc/11/48/55/553114855.db2.gz FKDQWRNUAPWNEF-LRDDRELGSA-N 1 2 379.551 2.942 10 0 GFAELO Cc1nc(CC(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)c(C)s1 ZINC000246901988 553114858 /nfs/dbraw/zinc/11/48/58/553114858.db2.gz FKDQWRNUAPWNEF-LRDDRELGSA-N 1 2 379.551 2.942 10 0 GFAELO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000246902846 553115258 /nfs/dbraw/zinc/11/52/58/553115258.db2.gz HUFVQURRGVZYRP-BVPBIZIASA-N 1 2 393.325 2.732 10 0 GFAELO CCOC(=O)[C@@H](C)[N@H+](C[C@@H](O)COc1cccc(Br)c1)C1CC1 ZINC000249490663 553143832 /nfs/dbraw/zinc/14/38/32/553143832.db2.gz VFXZEWHYSFJGNC-IUODEOHRSA-N 1 2 386.286 2.605 10 0 GFAELO CCOC(=O)[C@@H](C)[N@@H+](C[C@@H](O)COc1cccc(Br)c1)C1CC1 ZINC000249490663 553143833 /nfs/dbraw/zinc/14/38/33/553143833.db2.gz VFXZEWHYSFJGNC-IUODEOHRSA-N 1 2 386.286 2.605 10 0 GFAELO C[N@H+](CC(=O)[O-])[C@@H]1CCC[NH+](Cc2cc(Br)cc3c2OCC3)CC1 ZINC000263530662 553189149 /nfs/dbraw/zinc/18/91/49/553189149.db2.gz WJIPCSSEZICXJH-MRXNPFEDSA-N 1 2 397.313 2.755 10 0 GFAELO C[N@@H+](CC(=O)[O-])[C@@H]1CCC[NH+](Cc2cc(Br)cc3c2OCC3)CC1 ZINC000263530662 553189151 /nfs/dbraw/zinc/18/91/51/553189151.db2.gz WJIPCSSEZICXJH-MRXNPFEDSA-N 1 2 397.313 2.755 10 0 GFAELO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@H+](Cc2cc(Br)cc3c2OCC3)CC1 ZINC000263530662 553189152 /nfs/dbraw/zinc/18/91/52/553189152.db2.gz WJIPCSSEZICXJH-MRXNPFEDSA-N 1 2 397.313 2.755 10 0 GFAELO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cc(Br)cc3c2OCC3)CC1 ZINC000263530662 553189154 /nfs/dbraw/zinc/18/91/54/553189154.db2.gz WJIPCSSEZICXJH-MRXNPFEDSA-N 1 2 397.313 2.755 10 0 GFAELO CCOc1ccccc1C[N@@H+]1CCNC(=O)[C@H]1CC(=O)NC1CCCCCC1 ZINC000011842406 570437900 /nfs/dbraw/zinc/43/79/00/570437900.db2.gz PTUYWAAUBYDLGI-LJQANCHMSA-N 1 2 387.524 2.615 10 0 GFAELO CCOc1ccccc1C[N@H+]1CCNC(=O)[C@H]1CC(=O)NC1CCCCCC1 ZINC000011842406 570437902 /nfs/dbraw/zinc/43/79/02/570437902.db2.gz PTUYWAAUBYDLGI-LJQANCHMSA-N 1 2 387.524 2.615 10 0 GFAELO Nc1c(-c2ccncc2)nsc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000065150086 570839931 /nfs/dbraw/zinc/83/99/31/570839931.db2.gz WAIYIEAIJDCCAO-UHFFFAOYSA-N 1 2 379.489 2.745 10 0 GFAELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3ccc(Br)o3)CC2)cn1 ZINC000109662560 655150106 /nfs/dbraw/zinc/15/01/06/655150106.db2.gz DYICUEUPAQVVAA-UHFFFAOYSA-N 1 2 381.274 2.607 10 0 GFAELO CCn1cc(C[N@H+]2CCCN(C(=O)c3ccc(Br)o3)CC2)cn1 ZINC000109662560 655150108 /nfs/dbraw/zinc/15/01/08/655150108.db2.gz DYICUEUPAQVVAA-UHFFFAOYSA-N 1 2 381.274 2.607 10 0 GFAELO C[C@H](CNC(=O)NCC1(c2cccc(Br)c2)CC1)[NH+]1CCOCC1 ZINC000115653762 655240907 /nfs/dbraw/zinc/24/09/07/655240907.db2.gz BGRBLCUHBRQNNH-CQSZACIVSA-N 1 2 396.329 2.501 10 0 GFAELO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2cc(Br)c(F)cc2Cl)C1 ZINC000177989385 655294051 /nfs/dbraw/zinc/29/40/51/655294051.db2.gz XQTQJRAQCNDCBW-QMMMGPOBSA-N 1 2 380.645 2.694 10 0 GFAELO C[N@H+]1CCO[C@@H](CNC(=O)Nc2cc(Br)c(F)cc2Cl)C1 ZINC000177989385 655294053 /nfs/dbraw/zinc/29/40/53/655294053.db2.gz XQTQJRAQCNDCBW-QMMMGPOBSA-N 1 2 380.645 2.694 10 0 GFAELO C[N@H+](CC(=O)[O-])C1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000263560058 655452641 /nfs/dbraw/zinc/45/26/41/655452641.db2.gz QUQURYQLLHQGEO-UHFFFAOYSA-N 1 2 378.270 2.983 10 0 GFAELO C[N@@H+](CC(=O)[O-])C1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000263560058 655452645 /nfs/dbraw/zinc/45/26/45/655452645.db2.gz QUQURYQLLHQGEO-UHFFFAOYSA-N 1 2 378.270 2.983 10 0 GFAELO CC(=O)N1CCc2c([nH+]c(N(C)C)nc2N[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000077437877 211134769 /nfs/dbraw/zinc/13/47/69/211134769.db2.gz XUTSKKKZNFMJJT-LLVKDONJSA-N 1 2 375.423 2.899 10 0 GFAELO CCCc1cncnc1N1CCC[C@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000091254785 136176030 /nfs/dbraw/zinc/17/60/30/136176030.db2.gz LLSIIYSBDKQPMO-OAQYLSRUSA-N 1 2 382.512 2.604 10 0 GFAELO CCCc1cncnc1N1CCC[C@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000091254785 136176031 /nfs/dbraw/zinc/17/60/31/136176031.db2.gz LLSIIYSBDKQPMO-OAQYLSRUSA-N 1 2 382.512 2.604 10 0 GFAELO CCNc1cc(N2CCC[C@@H](CCC(=O)N[C@@H](C)c3cn(C)nc3C)C2)nc[nH+]1 ZINC000065245113 535521492 /nfs/dbraw/zinc/52/14/92/535521492.db2.gz LSZHHAQFBOHKNB-RDJZCZTQSA-N 1 2 399.543 2.824 10 0 GFAELO CCNc1cc(N2CCC[C@@H](CCC(=O)N[C@@H](C)c3cn(C)nc3C)C2)[nH+]cn1 ZINC000065245113 535521498 /nfs/dbraw/zinc/52/14/98/535521498.db2.gz LSZHHAQFBOHKNB-RDJZCZTQSA-N 1 2 399.543 2.824 10 0 GFAELO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000129393189 551356927 /nfs/dbraw/zinc/35/69/27/551356927.db2.gz UKLWYSKGTURIGD-STQMWFEESA-N 1 2 387.293 2.604 10 0 GFAELO C[C@@H](CNC(=O)NCC1(c2ccccc2Br)CC1)[NH+]1CCOCC1 ZINC000154452487 551475756 /nfs/dbraw/zinc/47/57/56/551475756.db2.gz ILJPUIHVWKTDCD-AWEZNQCLSA-N 1 2 396.329 2.501 10 0 GFAELO Brc1ccc(-c2noc(C[N@@H+]3CCC[C@H](n4cncn4)C3)n2)s1 ZINC000172247859 551674507 /nfs/dbraw/zinc/67/45/07/551674507.db2.gz NPIHQCSSKYTSOI-JTQLQIEISA-N 1 2 395.286 2.989 10 0 GFAELO Brc1ccc(-c2noc(C[N@H+]3CCC[C@H](n4cncn4)C3)n2)s1 ZINC000172247859 551674508 /nfs/dbraw/zinc/67/45/08/551674508.db2.gz NPIHQCSSKYTSOI-JTQLQIEISA-N 1 2 395.286 2.989 10 0 GFAELO C[C@@H](Sc1ccc(Br)cc1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172767517 551686312 /nfs/dbraw/zinc/68/63/12/551686312.db2.gz DFZKYHGBHOLFLC-HIFRSBDPSA-N 1 2 399.354 2.863 10 0 GFAELO O=C(CCSc1ccccc1Br)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172767361 551686505 /nfs/dbraw/zinc/68/65/05/551686505.db2.gz JXYIXXQQBQCFHE-AWEZNQCLSA-N 1 2 399.354 2.864 10 0 GFAELO CC(C)(C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000172756435 551686607 /nfs/dbraw/zinc/68/66/07/551686607.db2.gz CKNDALWZXUYRNX-MRXNPFEDSA-N 1 2 381.314 2.660 10 0 GFAELO O=C(c1occc1Br)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000176008939 552134404 /nfs/dbraw/zinc/13/44/04/552134404.db2.gz CGCNYIYPGQVKFD-HNNXBMFYSA-N 1 2 379.254 2.534 10 0 GFAELO CCc1nc(CC(=O)NC[C@H](c2ccc(C)s2)[NH+]2CCOCC2)cs1 ZINC000176570759 552142046 /nfs/dbraw/zinc/14/20/46/552142046.db2.gz FOKVYLOEDPKSGG-OAHLLOKOSA-N 1 2 379.551 2.808 10 0 GFAELO C[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccc(Cl)s2)C[C@H]1[NH+]1CCOCC1 ZINC000189935274 552483481 /nfs/dbraw/zinc/48/34/81/552483481.db2.gz ULKFFYIUVVNCOU-DGCLKSJQSA-N 1 2 380.901 2.584 10 0 GFAELO O=C(Nc1c(F)cc(F)cc1Br)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000192286555 552558500 /nfs/dbraw/zinc/55/85/00/552558500.db2.gz ISRYZQSBGLPQHK-LLVKDONJSA-N 1 2 390.228 2.666 10 0 GFAELO CCCCOC[C@H](O)C[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000193371526 552991605 /nfs/dbraw/zinc/99/16/05/552991605.db2.gz YVBCQVHUKZRUEW-OAHLLOKOSA-N 1 2 389.323 2.929 10 0 GFAELO O=C(c1ccc(I)c(Cl)c1)N1CCn2cc[nH+]c2C1 ZINC000226791503 553062187 /nfs/dbraw/zinc/06/21/87/553062187.db2.gz LAPWXKDFRFRMFS-UHFFFAOYSA-N 1 2 387.608 2.797 10 0 GFAELO O=C1[C@H]([N@@H+]2CC[C@@H](N3CCOCC3)C2)CCN1c1ccc(Cl)cc1Cl ZINC000249032570 553137915 /nfs/dbraw/zinc/13/79/15/553137915.db2.gz FLSKVZOUUKPXIR-RHSMWYFYSA-N 1 2 384.307 2.505 10 0 GFAELO O=C1[C@H]([N@H+]2CC[C@@H](N3CCOCC3)C2)CCN1c1ccc(Cl)cc1Cl ZINC000249032570 553137917 /nfs/dbraw/zinc/13/79/17/553137917.db2.gz FLSKVZOUUKPXIR-RHSMWYFYSA-N 1 2 384.307 2.505 10 0 GFAELO O=C1[C@H](N2CC[C@@H]([NH+]3CCOCC3)C2)CCN1c1ccc(Cl)cc1Cl ZINC000249032570 553137918 /nfs/dbraw/zinc/13/79/18/553137918.db2.gz FLSKVZOUUKPXIR-RHSMWYFYSA-N 1 2 384.307 2.505 10 0 GFAELO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1sccc1Br ZINC000252662270 553150166 /nfs/dbraw/zinc/15/01/66/553150166.db2.gz WZAOPTNSWYYOMY-MNOVXSKESA-N 1 2 379.345 2.758 10 0 GFAELO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1sccc1Br ZINC000252662270 553150168 /nfs/dbraw/zinc/15/01/68/553150168.db2.gz WZAOPTNSWYYOMY-MNOVXSKESA-N 1 2 379.345 2.758 10 0 GFAELO OC[C@H]1CCCN1c1cc(NCCc2ccc(F)c(Br)c2)[nH+]cn1 ZINC000301230508 563397152 /nfs/dbraw/zinc/39/71/52/563397152.db2.gz HGYLKPFNSWVFSB-CYBMUJFWSA-N 1 2 395.276 2.994 10 0 GFAELO OC[C@H]1CCCN1c1cc(NCCc2ccc(F)c(Br)c2)nc[nH+]1 ZINC000301230508 563397156 /nfs/dbraw/zinc/39/71/56/563397156.db2.gz HGYLKPFNSWVFSB-CYBMUJFWSA-N 1 2 395.276 2.994 10 0 GFAELO CN(C)c1ccc(N[C@H]2CCCN(C(=O)[C@@H]3CSCCS3)CC2)c[nH+]1 ZINC000328633734 563461768 /nfs/dbraw/zinc/46/17/68/563461768.db2.gz MGBQDXDFERSSGN-HOCLYGCPSA-N 1 2 380.583 2.789 10 0 GFAELO CC(C)OC[C@H](O)C[N@H+](C)Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3 ZINC000253610399 570889778 /nfs/dbraw/zinc/88/97/78/570889778.db2.gz GFWYLQHQLZBJMJ-QWHCGFSZSA-N 1 2 379.526 2.739 10 0 GFAELO CC(C)OC[C@H](O)C[N@@H+](C)Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3 ZINC000253610399 570889779 /nfs/dbraw/zinc/88/97/79/570889779.db2.gz GFWYLQHQLZBJMJ-QWHCGFSZSA-N 1 2 379.526 2.739 10 0 GFAELO C[C@@H]1C[N@@H+](CCCNc2ccccc2S(=O)(=O)C(F)(F)F)C[C@H](C)O1 ZINC000106087838 655102088 /nfs/dbraw/zinc/10/20/88/655102088.db2.gz HUPHFIIUJUUOBF-BETUJISGSA-N 1 2 380.432 2.891 10 0 GFAELO C[C@@H]1C[N@H+](CCCNc2ccccc2S(=O)(=O)C(F)(F)F)C[C@H](C)O1 ZINC000106087838 655102089 /nfs/dbraw/zinc/10/20/89/655102089.db2.gz HUPHFIIUJUUOBF-BETUJISGSA-N 1 2 380.432 2.891 10 0 GFAELO C[N@@H+]1CCO[C@H](CNC(=O)CCCSc2ccc(Br)cc2)C1 ZINC000108263571 655130219 /nfs/dbraw/zinc/13/02/19/655130219.db2.gz UPQRUBMRWJYLIL-CQSZACIVSA-N 1 2 387.343 2.768 10 0 GFAELO C[N@H+]1CCO[C@H](CNC(=O)CCCSc2ccc(Br)cc2)C1 ZINC000108263571 655130221 /nfs/dbraw/zinc/13/02/21/655130221.db2.gz UPQRUBMRWJYLIL-CQSZACIVSA-N 1 2 387.343 2.768 10 0 GFAELO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cn3cc(Br)cn3)C[C@H]12 ZINC000184809787 655359712 /nfs/dbraw/zinc/35/97/12/655359712.db2.gz OHLKVMWYXMYCKT-KWCYVHTRSA-N 1 2 385.306 2.838 10 0 GFAELO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cn3cc(Br)cn3)C[C@H]12 ZINC000184809787 655359713 /nfs/dbraw/zinc/35/97/13/655359713.db2.gz OHLKVMWYXMYCKT-KWCYVHTRSA-N 1 2 385.306 2.838 10 0 GFAELO C[C@H]1C[N@H+](CN2C(=O)C[C@](C)(c3ccc(Br)cc3)C2=O)CCS1 ZINC000246081728 655428870 /nfs/dbraw/zinc/42/88/70/655428870.db2.gz DMRBTSVWNTWGBS-YVEFUNNKSA-N 1 2 397.338 2.861 10 0 GFAELO C[C@H]1C[N@@H+](CN2C(=O)C[C@](C)(c3ccc(Br)cc3)C2=O)CCS1 ZINC000246081728 655428873 /nfs/dbraw/zinc/42/88/73/655428873.db2.gz DMRBTSVWNTWGBS-YVEFUNNKSA-N 1 2 397.338 2.861 10 0 GFAELO COc1cc(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1OC ZINC000019368853 210244769 /nfs/dbraw/zinc/24/47/69/210244769.db2.gz JWQMEGYQWJZJAO-UHFFFAOYSA-N 1 2 384.476 2.713 10 0 GFAELO CC(C)OC(=O)N[C@@H](Cc1cn(C(C)C)c[nH+]1)C(=O)NCCc1ccccc1 ZINC000301054939 212041595 /nfs/dbraw/zinc/04/15/95/212041595.db2.gz QGZMZGFOWLGKHZ-IBGZPJMESA-N 1 2 386.496 2.869 10 0 GFAELO Cc1nc(C[N@@H+]2CCCN(C(=O)NCc3ccc(Cl)nc3)CC2)cs1 ZINC000116420188 551213172 /nfs/dbraw/zinc/21/31/72/551213172.db2.gz CQTMBZJXOXSOTH-UHFFFAOYSA-N 1 2 379.917 2.917 10 0 GFAELO Cc1nc(C[N@H+]2CCCN(C(=O)NCc3ccc(Cl)nc3)CC2)cs1 ZINC000116420188 551213175 /nfs/dbraw/zinc/21/31/75/551213175.db2.gz CQTMBZJXOXSOTH-UHFFFAOYSA-N 1 2 379.917 2.917 10 0 GFAELO O=C([C@H]1COc2ccc(Br)cc21)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000121423189 551234191 /nfs/dbraw/zinc/23/41/91/551234191.db2.gz JVEZABYTMCIRAL-HIFRSBDPSA-N 1 2 376.254 2.813 10 0 GFAELO CCOc1cc(Br)ccc1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000154973320 551487796 /nfs/dbraw/zinc/48/77/96/551487796.db2.gz FUUJTUCTOMMFTG-CQSZACIVSA-N 1 2 398.301 2.786 10 0 GFAELO Cc1nc(C[C@@H]2CCC[N@@H+]([C@H](C(N)=O)c3ccc(Br)cc3)C2)no1 ZINC000170914561 551643084 /nfs/dbraw/zinc/64/30/84/551643084.db2.gz UAVGPVNANRRQEJ-LRDDRELGSA-N 1 2 393.285 2.622 10 0 GFAELO Cc1nc(C[C@@H]2CCC[N@H+]([C@H](C(N)=O)c3ccc(Br)cc3)C2)no1 ZINC000170914561 551643088 /nfs/dbraw/zinc/64/30/88/551643088.db2.gz UAVGPVNANRRQEJ-LRDDRELGSA-N 1 2 393.285 2.622 10 0 GFAELO OC[C@H]1CCCN1c1cc(NCCc2ccc(Br)cc2)[nH+]cn1 ZINC000172239377 551674511 /nfs/dbraw/zinc/67/45/11/551674511.db2.gz HCLSHYPMSKCTSX-OAHLLOKOSA-N 1 2 377.286 2.855 10 0 GFAELO OC[C@H]1CCCN1c1cc(NCCc2ccc(Br)cc2)nc[nH+]1 ZINC000172239377 551674512 /nfs/dbraw/zinc/67/45/12/551674512.db2.gz HCLSHYPMSKCTSX-OAHLLOKOSA-N 1 2 377.286 2.855 10 0 GFAELO Cc1nc(C[N@@H+]2CCCN(C(=O)NCc3ccc(Cl)cn3)CC2)cs1 ZINC000181064527 552244631 /nfs/dbraw/zinc/24/46/31/552244631.db2.gz PHFLKOHZLVQEHD-UHFFFAOYSA-N 1 2 379.917 2.917 10 0 GFAELO Cc1nc(C[N@H+]2CCCN(C(=O)NCc3ccc(Cl)cn3)CC2)cs1 ZINC000181064527 552244634 /nfs/dbraw/zinc/24/46/34/552244634.db2.gz PHFLKOHZLVQEHD-UHFFFAOYSA-N 1 2 379.917 2.917 10 0 GFAELO COc1cc(Br)ccc1C[N@@H+]1CCCN(Cc2noc(C)n2)CC1 ZINC000182027296 552273447 /nfs/dbraw/zinc/27/34/47/552273447.db2.gz PVEKCGJURJYIJD-UHFFFAOYSA-N 1 2 395.301 2.857 10 0 GFAELO COc1cc(Br)ccc1C[N@H+]1CCCN(Cc2noc(C)n2)CC1 ZINC000182027296 552273448 /nfs/dbraw/zinc/27/34/48/552273448.db2.gz PVEKCGJURJYIJD-UHFFFAOYSA-N 1 2 395.301 2.857 10 0 GFAELO Brc1ccc2nc(C[N@@H+]3CCC[C@H](Cn4cncn4)C3)[nH]c2c1 ZINC000184971715 552349320 /nfs/dbraw/zinc/34/93/20/552349320.db2.gz OYGKBQSRNWFCAI-LBPRGKRZSA-N 1 2 375.274 2.829 10 0 GFAELO Brc1ccc2nc(C[N@H+]3CCC[C@H](Cn4cncn4)C3)[nH]c2c1 ZINC000184971715 552349323 /nfs/dbraw/zinc/34/93/23/552349323.db2.gz OYGKBQSRNWFCAI-LBPRGKRZSA-N 1 2 375.274 2.829 10 0 GFAELO O=C([C@@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl)N1CC[NH+](CCO)CC1 ZINC000185560489 552365518 /nfs/dbraw/zinc/36/55/18/552365518.db2.gz TZHAVUNAFWAZIC-WBVHZDCISA-N 1 2 387.307 2.598 10 0 GFAELO CCOCC[N@@H+]1CCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)C[C@@H]1C ZINC000189659106 552477134 /nfs/dbraw/zinc/47/71/34/552477134.db2.gz DNXQMOVSGZKNMZ-LBPRGKRZSA-N 1 2 382.917 2.974 10 0 GFAELO CCOCC[N@H+]1CCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)C[C@@H]1C ZINC000189659106 552477136 /nfs/dbraw/zinc/47/71/36/552477136.db2.gz DNXQMOVSGZKNMZ-LBPRGKRZSA-N 1 2 382.917 2.974 10 0 GFAELO CC[C@H]1CN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC[N@@H+]1C[C@@H](C)O ZINC000189915479 552482835 /nfs/dbraw/zinc/48/28/35/552482835.db2.gz KLHLYJLLYQGVBH-NEPJUHHUSA-N 1 2 382.917 2.709 10 0 GFAELO CC[C@H]1CN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC[N@H+]1C[C@@H](C)O ZINC000189915479 552482836 /nfs/dbraw/zinc/48/28/36/552482836.db2.gz KLHLYJLLYQGVBH-NEPJUHHUSA-N 1 2 382.917 2.709 10 0 GFAELO C[NH+](C)C[C@@H](NS(=O)(=O)c1c(F)c(F)cc(F)c1F)c1ccccc1 ZINC000192888372 552977405 /nfs/dbraw/zinc/97/74/05/552977405.db2.gz BESJFMLZKBUHHE-CYBMUJFWSA-N 1 2 376.375 2.824 10 0 GFAELO Cc1cc(Cc2cnc(NC(=O)[C@@H]3COCC[NH2+]3)s2)ccc1Br ZINC000237778960 553081950 /nfs/dbraw/zinc/08/19/50/553081950.db2.gz HBXVOVPZFPCXOQ-AWEZNQCLSA-N 1 2 396.310 2.732 10 0 GFAELO C[C@H]1Cc2cc(S(=O)(=O)N3CCC[C@H]3Cn3cc[nH+]c3)cc(Cl)c2O1 ZINC000246241118 553105127 /nfs/dbraw/zinc/10/51/27/553105127.db2.gz RSLSXKZWUSZYIX-JSGCOSHPSA-N 1 2 381.885 2.713 10 0 GFAELO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(Br)s1 ZINC000252660739 553150194 /nfs/dbraw/zinc/15/01/94/553150194.db2.gz CURLVDKAXXWHNE-MNOVXSKESA-N 1 2 379.345 2.758 10 0 GFAELO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(Br)s1 ZINC000252660739 553150196 /nfs/dbraw/zinc/15/01/96/553150196.db2.gz CURLVDKAXXWHNE-MNOVXSKESA-N 1 2 379.345 2.758 10 0 GFAELO COc1ccc(Br)cc1CNc1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000301236637 563397196 /nfs/dbraw/zinc/39/71/96/563397196.db2.gz KNPXQPDAQSTRMU-CQSZACIVSA-N 1 2 393.285 2.821 10 0 GFAELO COc1ccc(Br)cc1CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000301236637 563397197 /nfs/dbraw/zinc/39/71/97/563397197.db2.gz KNPXQPDAQSTRMU-CQSZACIVSA-N 1 2 393.285 2.821 10 0 GFAELO C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)s2)C[C@H]1[NH+]1CCOCC1 ZINC000302531030 563425974 /nfs/dbraw/zinc/42/59/74/563425974.db2.gz QHCHSSSCIKAZNV-CZUORRHYSA-N 1 2 378.929 2.939 10 0 GFAELO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000392906771 563527983 /nfs/dbraw/zinc/52/79/83/563527983.db2.gz XHIQFXHYBYWXGR-WRWORJQWSA-N 1 2 392.091 2.674 10 0 GFAELO Cc1nc(CN2CCC[N@H+](Cc3ccc(F)cc3Br)CC2)no1 ZINC000106149498 655104065 /nfs/dbraw/zinc/10/40/65/655104065.db2.gz BMCPMTPFPHXEOZ-UHFFFAOYSA-N 1 2 383.265 2.988 10 0 GFAELO Cc1nc(CN2CCC[N@@H+](Cc3ccc(F)cc3Br)CC2)no1 ZINC000106149498 655104067 /nfs/dbraw/zinc/10/40/67/655104067.db2.gz BMCPMTPFPHXEOZ-UHFFFAOYSA-N 1 2 383.265 2.988 10 0 GFAELO O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000173730879 655178164 /nfs/dbraw/zinc/17/81/64/655178164.db2.gz MURAYIOECCNSEY-GFCCVEGCSA-N 1 2 377.363 2.894 10 0 GFAELO C[C@H]1CN(C(=O)c2ccc(C3SCCS3)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000173874052 655183656 /nfs/dbraw/zinc/18/36/56/655183656.db2.gz COQBZLKWTQALCX-YOEHRIQHSA-N 1 2 378.563 2.958 10 0 GFAELO Cc1cnn(C[C@H]2C[N@H+](Cc3cc(Br)cc(C)c3O)CCO2)c1 ZINC000180129273 655322645 /nfs/dbraw/zinc/32/26/45/655322645.db2.gz BKCTXNDAGAALHW-MRXNPFEDSA-N 1 2 380.286 2.869 10 0 GFAELO Cc1cnn(C[C@H]2C[N@@H+](Cc3cc(Br)cc(C)c3O)CCO2)c1 ZINC000180129273 655322647 /nfs/dbraw/zinc/32/26/47/655322647.db2.gz BKCTXNDAGAALHW-MRXNPFEDSA-N 1 2 380.286 2.869 10 0 GFAELO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cn3cc(Br)cn3)C[C@@H]12 ZINC000248627202 655432843 /nfs/dbraw/zinc/43/28/43/655432843.db2.gz OHLKVMWYXMYCKT-MRVWCRGKSA-N 1 2 385.306 2.838 10 0 GFAELO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cn3cc(Br)cn3)C[C@@H]12 ZINC000248627202 655432844 /nfs/dbraw/zinc/43/28/44/655432844.db2.gz OHLKVMWYXMYCKT-MRVWCRGKSA-N 1 2 385.306 2.838 10 0 GFAELO Cc1nc(C[N@@H+]2CCOC[C@@]3(C[C@H](CNc4ncccc4F)CO3)C2)cs1 ZINC000096240478 211322419 /nfs/dbraw/zinc/32/24/19/211322419.db2.gz HXXHTSRZZUJUHL-DNVCBOLYSA-N 1 2 392.500 2.705 10 0 GFAELO Cc1nc(C[N@H+]2CCOC[C@@]3(C[C@H](CNc4ncccc4F)CO3)C2)cs1 ZINC000096240478 211322422 /nfs/dbraw/zinc/32/24/22/211322422.db2.gz HXXHTSRZZUJUHL-DNVCBOLYSA-N 1 2 392.500 2.705 10 0 GFAELO Cc1ccc2[nH]c(CCC(=O)N3CCc4c(ncnc4N(C)C)C3)[nH+]c2c1C ZINC000072145333 211076685 /nfs/dbraw/zinc/07/66/85/211076685.db2.gz SKSYQTSNQYNECE-UHFFFAOYSA-N 1 2 378.480 2.553 10 0 GFAELO COc1ccc(-c2noc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)n2)cc1 ZINC000021522472 210384189 /nfs/dbraw/zinc/38/41/89/210384189.db2.gz ZZUBQSGNAABYRW-UHFFFAOYSA-N 1 2 394.431 2.796 10 0 GFAELO O=C(CC[C@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1)NCCc1ccccn1 ZINC000065245213 136161519 /nfs/dbraw/zinc/16/15/19/136161519.db2.gz GKOITVYSWDQAIF-QGZVFWFLSA-N 1 2 394.523 2.801 10 0 GFAELO O=C(CC[C@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1)NCCc1ccccn1 ZINC000065245213 136161520 /nfs/dbraw/zinc/16/15/20/136161520.db2.gz GKOITVYSWDQAIF-QGZVFWFLSA-N 1 2 394.523 2.801 10 0 GFAELO C[C@H](CNC(=O)[C@@H](C)Cc1ccc(F)c(Br)c1)[NH+]1CCOCC1 ZINC000129392715 551356752 /nfs/dbraw/zinc/35/67/52/551356752.db2.gz UKLWYSKGTURIGD-QWHCGFSZSA-N 1 2 387.293 2.604 10 0 GFAELO C[C@@H]1CN(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)CCS1 ZINC000156564401 551525220 /nfs/dbraw/zinc/52/52/20/551525220.db2.gz OVJOHRWQDXYDJE-COXVUDFISA-N 1 2 383.945 2.859 10 0 GFAELO C[C@@H]1CN(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)CCS1 ZINC000156564401 551525221 /nfs/dbraw/zinc/52/52/21/551525221.db2.gz OVJOHRWQDXYDJE-COXVUDFISA-N 1 2 383.945 2.859 10 0 GFAELO O=S(=O)(c1cc(Br)c(F)cc1F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171419150 551654952 /nfs/dbraw/zinc/65/49/52/551654952.db2.gz OPNHKOMORIIPQA-SNVBAGLBSA-N 1 2 395.269 2.586 10 0 GFAELO O=S(=O)(c1cc(Br)c(F)cc1F)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000171419150 551654954 /nfs/dbraw/zinc/65/49/54/551654954.db2.gz OPNHKOMORIIPQA-SNVBAGLBSA-N 1 2 395.269 2.586 10 0 GFAELO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000177246048 552152419 /nfs/dbraw/zinc/15/24/19/552152419.db2.gz ALUCHTHCRBKAMF-WWGRRREGSA-N 1 2 386.323 2.973 10 0 GFAELO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177246048 552152421 /nfs/dbraw/zinc/15/24/21/552152421.db2.gz ALUCHTHCRBKAMF-WWGRRREGSA-N 1 2 386.323 2.973 10 0 GFAELO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177246048 552152422 /nfs/dbraw/zinc/15/24/22/552152422.db2.gz ALUCHTHCRBKAMF-WWGRRREGSA-N 1 2 386.323 2.973 10 0 GFAELO C[C@H](N1CC[NH+](C[C@H](O)COCc2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000178268093 552167880 /nfs/dbraw/zinc/16/78/80/552167880.db2.gz PJSQCPNQXYVGAC-BBRMVZONSA-N 1 2 380.838 2.786 10 0 GFAELO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ncc(Br)s3)C2=O)n(C)n1 ZINC000182349897 552281247 /nfs/dbraw/zinc/28/12/47/552281247.db2.gz MBZYKLQKULSESX-GHMZBOCLSA-N 1 2 398.330 2.794 10 0 GFAELO O=C(Nc1ccc(Cl)cc1OC(F)F)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000184399372 552334824 /nfs/dbraw/zinc/33/48/24/552334824.db2.gz QEJXAMGNQCSDDW-LBPRGKRZSA-N 1 2 375.803 2.880 10 0 GFAELO C[C@H]1CN(C(=O)c2cc(Br)c(F)cc2F)C[C@@H]1[NH+]1CCOCC1 ZINC000192138872 552553082 /nfs/dbraw/zinc/55/30/82/552553082.db2.gz CNNBTVHPLLNCPU-BONVTDFDSA-N 1 2 389.240 2.520 10 0 GFAELO CC(C)c1nnc(C[S@](=O)Cc2cn3cc(Br)ccc3[nH+]2)n1C ZINC000194268137 553016045 /nfs/dbraw/zinc/01/60/45/553016045.db2.gz RTELSVHLYYWKTK-HSZRJFAPSA-N 1 2 396.314 2.798 10 0 GFAELO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246968003 553116373 /nfs/dbraw/zinc/11/63/73/553116373.db2.gz QATNMDIVUDZEFW-VNHYZAJKSA-N 1 2 387.307 2.940 10 0 GFAELO COc1cc(Cl)c(S(=O)(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1Cl ZINC000246987768 553116747 /nfs/dbraw/zinc/11/67/47/553116747.db2.gz AUSBXTGLZRXGPB-NSHDSACASA-N 1 2 379.309 2.861 10 0 GFAELO COc1cc(Cl)c(S(=O)(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1Cl ZINC000246987768 553116748 /nfs/dbraw/zinc/11/67/48/553116748.db2.gz AUSBXTGLZRXGPB-NSHDSACASA-N 1 2 379.309 2.861 10 0 GFAELO C[N@H+](CC(=O)[O-])[C@@H]1CCC[NH+](Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000262553598 553172535 /nfs/dbraw/zinc/17/25/35/553172535.db2.gz VQIJKVGUUOVCNE-CYBMUJFWSA-N 1 2 399.285 2.549 10 0 GFAELO C[N@@H+](CC(=O)[O-])[C@@H]1CCC[NH+](Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000262553598 553172538 /nfs/dbraw/zinc/17/25/38/553172538.db2.gz VQIJKVGUUOVCNE-CYBMUJFWSA-N 1 2 399.285 2.549 10 0 GFAELO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@H+](Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000262553598 553172541 /nfs/dbraw/zinc/17/25/41/553172541.db2.gz VQIJKVGUUOVCNE-CYBMUJFWSA-N 1 2 399.285 2.549 10 0 GFAELO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000262553598 553172544 /nfs/dbraw/zinc/17/25/44/553172544.db2.gz VQIJKVGUUOVCNE-CYBMUJFWSA-N 1 2 399.285 2.549 10 0 GFAELO O=C1N2CC[N@@H+](Cc3cccc(OC(F)(F)F)c3)C[C@@H]2CN1C1CCOCC1 ZINC000096269144 560054151 /nfs/dbraw/zinc/05/41/51/560054151.db2.gz MZFDGVCIRUDHGU-MRXNPFEDSA-N 1 2 399.413 2.686 10 0 GFAELO O=C1N2CC[N@H+](Cc3cccc(OC(F)(F)F)c3)C[C@@H]2CN1C1CCOCC1 ZINC000096269144 560054152 /nfs/dbraw/zinc/05/41/52/560054152.db2.gz MZFDGVCIRUDHGU-MRXNPFEDSA-N 1 2 399.413 2.686 10 0 GFAELO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2cc(Cl)ccc2I)C1 ZINC000405310145 563538979 /nfs/dbraw/zinc/53/89/79/563538979.db2.gz SOIJQGKJEHCITL-NWDGAFQWSA-N 1 2 381.641 2.526 10 0 GFAELO CO[C@@H]1C[C@@H](CO)[N@@H+](Cc2cc(Cl)ccc2I)C1 ZINC000405310145 563538981 /nfs/dbraw/zinc/53/89/81/563538981.db2.gz SOIJQGKJEHCITL-NWDGAFQWSA-N 1 2 381.641 2.526 10 0 GFAELO O=C(c1cc(-c2ccccc2)n[nH]1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000023847214 570373612 /nfs/dbraw/zinc/37/36/12/570373612.db2.gz BMNQZLFZCQCYLT-UHFFFAOYSA-N 1 2 388.471 2.970 10 0 GFAELO C[NH+](C)C[C@H](NC(=O)CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000027150391 654562929 /nfs/dbraw/zinc/56/29/29/654562929.db2.gz DMQVWQPGDOAMDR-KRWDZBQOSA-N 1 2 380.897 2.533 10 0 GFAELO CC[C@@H](Cc1ccccc1Br)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000131925910 654922069 /nfs/dbraw/zinc/92/20/69/654922069.db2.gz UPABAGZSILPSDG-GJZGRUSLSA-N 1 2 383.330 2.855 10 0 GFAELO CC(=O)N[C@H]1CCC[N@H+](Cn2nc(-c3ccc(Br)cc3)nc2C)C1 ZINC000111163290 655165828 /nfs/dbraw/zinc/16/58/28/655165828.db2.gz MEULVZRZGJHERW-INIZCTEOSA-N 1 2 392.301 2.574 10 0 GFAELO CC(=O)N[C@H]1CCC[N@@H+](Cn2nc(-c3ccc(Br)cc3)nc2C)C1 ZINC000111163290 655165829 /nfs/dbraw/zinc/16/58/29/655165829.db2.gz MEULVZRZGJHERW-INIZCTEOSA-N 1 2 392.301 2.574 10 0 GFAELO Cc1ncc(C[NH+]2CCN(Cn3c(=O)oc4cc(Cl)ccc43)CC2)s1 ZINC000111165216 655165847 /nfs/dbraw/zinc/16/58/47/655165847.db2.gz UHGQNWVRBYNVLE-UHFFFAOYSA-N 1 2 378.885 2.788 10 0 GFAELO C[C@@H]1CN(C(=O)c2cc(Cl)ccc2Br)C[C@@H]1[NH+]1CCOCC1 ZINC000173401878 655169986 /nfs/dbraw/zinc/16/99/86/655169986.db2.gz VQDLXHMOGNEBLA-ABAIWWIYSA-N 1 2 387.705 2.895 10 0 GFAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(Br)cs2)nc[nH+]1 ZINC000173441302 655172808 /nfs/dbraw/zinc/17/28/08/655172808.db2.gz NWACWTPLYYDQHH-NSHDSACASA-N 1 2 396.314 2.741 10 0 GFAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(Br)cs2)[nH+]cn1 ZINC000173441302 655172809 /nfs/dbraw/zinc/17/28/09/655172809.db2.gz NWACWTPLYYDQHH-NSHDSACASA-N 1 2 396.314 2.741 10 0 GFAELO OC[C@H]1CCCN1c1cc(NC[C@H](O)c2cc(Cl)cc(Cl)c2)[nH+]cn1 ZINC000118384566 655275827 /nfs/dbraw/zinc/27/58/27/655275827.db2.gz WDARCICWZMXNKC-CABCVRRESA-N 1 2 383.279 2.890 10 0 GFAELO OC[C@H]1CCCN1c1cc(NC[C@H](O)c2cc(Cl)cc(Cl)c2)nc[nH+]1 ZINC000118384566 655275829 /nfs/dbraw/zinc/27/58/29/655275829.db2.gz WDARCICWZMXNKC-CABCVRRESA-N 1 2 383.279 2.890 10 0 GFAELO C[C@H](C(=O)NCC(C)(C)n1cc[nH+]c1)N1C(=S)N=NC1c1cccs1 ZINC000912616581 664294737 /nfs/dbraw/zinc/29/47/37/664294737.db2.gz KGQPOXAETGUMJV-LLVKDONJSA-N 1 2 376.511 2.604 10 0 GFAELO CN(C)c1nc(N2CCOCC2)[nH+]cc1NC(=O)Nc1ccc(Cl)cc1 ZINC000224146693 136206346 /nfs/dbraw/zinc/20/63/46/136206346.db2.gz AMTHCQGKKSOSNW-UHFFFAOYSA-N 1 2 376.848 2.677 10 0 GFAELO COC(=O)[C@@H]1C[C@H](C(=O)NCCCc2ccccn2)[C@H](c2ccccc2F)[N@@H+]1C ZINC000055196628 222017383 /nfs/dbraw/zinc/01/73/83/222017383.db2.gz VOIZOFBAYOYQCE-IHPCNDPISA-N 1 2 399.466 2.504 10 0 GFAELO COC(=O)[C@@H]1C[C@H](C(=O)NCCCc2ccccn2)[C@H](c2ccccc2F)[N@H+]1C ZINC000055196628 222017388 /nfs/dbraw/zinc/01/73/88/222017388.db2.gz VOIZOFBAYOYQCE-IHPCNDPISA-N 1 2 399.466 2.504 10 0 GFAELO C[C@H](CCc1ccc(Br)cc1)NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000054648480 551169988 /nfs/dbraw/zinc/16/99/88/551169988.db2.gz BUCNXRNOYGWAGJ-CABCVRRESA-N 1 2 398.345 2.790 10 0 GFAELO C[C@H](CNC(=O)NC(C)(C)Cc1ccc(Br)cc1)[NH+]1CCOCC1 ZINC000067389269 551188126 /nfs/dbraw/zinc/18/81/26/551188126.db2.gz RGFMKLCHNUKPMS-CQSZACIVSA-N 1 2 398.345 2.790 10 0 GFAELO Cc1cc(C)n(C[C@@H]2C[N@H+](C[C@H](O)c3ccccc3Br)CCO2)n1 ZINC000152958901 551443632 /nfs/dbraw/zinc/44/36/32/551443632.db2.gz XRLCSQSHKVKULV-YJBOKZPZSA-N 1 2 394.313 2.697 10 0 GFAELO Cc1cc(C)n(C[C@@H]2C[N@@H+](C[C@H](O)c3ccccc3Br)CCO2)n1 ZINC000152958901 551443633 /nfs/dbraw/zinc/44/36/33/551443633.db2.gz XRLCSQSHKVKULV-YJBOKZPZSA-N 1 2 394.313 2.697 10 0 GFAELO CC(=O)N[C@H]1CCC[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000153894395 551462679 /nfs/dbraw/zinc/46/26/79/551462679.db2.gz XNLRWGYAZOCPCC-HNNXBMFYSA-N 1 2 377.286 2.940 10 0 GFAELO CC(=O)N[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000153894395 551462681 /nfs/dbraw/zinc/46/26/81/551462681.db2.gz XNLRWGYAZOCPCC-HNNXBMFYSA-N 1 2 377.286 2.940 10 0 GFAELO Cn1cc(NC(=O)NCCCCNc2cccc[nH+]2)cc(Br)c1=O ZINC000156233932 551517932 /nfs/dbraw/zinc/51/79/32/551517932.db2.gz XVUGETQQQWXRIO-UHFFFAOYSA-N 1 2 394.273 2.557 10 0 GFAELO O=S(=O)(c1cc(F)c(Br)cc1F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000162163221 551604037 /nfs/dbraw/zinc/60/40/37/551604037.db2.gz DGULTDPDYPOZNB-SNVBAGLBSA-N 1 2 395.269 2.586 10 0 GFAELO O=S(=O)(c1cc(F)c(Br)cc1F)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000162163221 551604041 /nfs/dbraw/zinc/60/40/41/551604041.db2.gz DGULTDPDYPOZNB-SNVBAGLBSA-N 1 2 395.269 2.586 10 0 GFAELO CCn1cc(Br)cc1C(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000171862729 551665474 /nfs/dbraw/zinc/66/54/74/551665474.db2.gz NUPWASQTLLNYBN-UHFFFAOYSA-N 1 2 397.342 2.993 10 0 GFAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000172346286 551677159 /nfs/dbraw/zinc/67/71/59/551677159.db2.gz VDADXYLIWZTWQT-GFCCVEGCSA-N 1 2 388.295 2.501 10 0 GFAELO CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000172346286 551677160 /nfs/dbraw/zinc/67/71/60/551677160.db2.gz VDADXYLIWZTWQT-GFCCVEGCSA-N 1 2 388.295 2.501 10 0 GFAELO Cc1cc(Br)ccc1SCC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172758294 551686259 /nfs/dbraw/zinc/68/62/59/551686259.db2.gz FSRFEGVCZAPSOK-OAHLLOKOSA-N 1 2 399.354 2.783 10 0 GFAELO CC(C)Oc1cc(Br)ccc1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172750195 551686317 /nfs/dbraw/zinc/68/63/17/551686317.db2.gz IWERLULZJFOXSG-HNNXBMFYSA-N 1 2 397.313 2.783 10 0 GFAELO C[C@H](C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)c1ccc(Br)s1 ZINC000173398233 552085203 /nfs/dbraw/zinc/08/52/03/552085203.db2.gz WYUKXIFKPQZHCX-RWMBFGLXSA-N 1 2 387.343 2.793 10 0 GFAELO CC[C@@H](NC(=O)NC[C@@H](C)[NH+]1CCOCC1)c1nc(C(F)(F)F)cs1 ZINC000173826000 552093166 /nfs/dbraw/zinc/09/31/66/552093166.db2.gz BFFZMMJQXZHALC-GHMZBOCLSA-N 1 2 380.436 2.633 10 0 GFAELO Cc1csc(CNC(=O)N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1 ZINC000178486756 552171456 /nfs/dbraw/zinc/17/14/56/552171456.db2.gz CDOFKIZSYFAFPF-CQSZACIVSA-N 1 2 380.539 2.728 10 0 GFAELO Brc1ccc(CN2CC[C@@H]([NH+]3CCOCC3)C2)c2ncccc12 ZINC000179943917 552207676 /nfs/dbraw/zinc/20/76/76/552207676.db2.gz FTGGRJJLRTUXAF-OAHLLOKOSA-N 1 2 376.298 2.904 10 0 GFAELO Cc1cc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)nn1-c1ccc(Cl)cc1Cl ZINC000180465674 552227037 /nfs/dbraw/zinc/22/70/37/552227037.db2.gz CZUAXANWQGZSJW-CYBMUJFWSA-N 1 2 383.279 2.548 10 0 GFAELO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)nn1-c1ccc(Cl)cc1Cl ZINC000180465674 552227041 /nfs/dbraw/zinc/22/70/41/552227041.db2.gz CZUAXANWQGZSJW-CYBMUJFWSA-N 1 2 383.279 2.548 10 0 GFAELO C[C@H]([NH2+]Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)s1 ZINC000182994407 552297743 /nfs/dbraw/zinc/29/77/43/552297743.db2.gz AZHPUSJFPSBWAA-JTQLQIEISA-N 1 2 397.913 2.632 10 0 GFAELO COc1nc(C)c(Br)cc1C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188187006 552438472 /nfs/dbraw/zinc/43/84/72/552438472.db2.gz JJPCPCMAUIMXLG-GFCCVEGCSA-N 1 2 379.258 2.662 10 0 GFAELO C[C@H]1CC[N@H+](Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)[C@@H]1CO ZINC000190442489 552496592 /nfs/dbraw/zinc/49/65/92/552496592.db2.gz AJONICPVIVXLBM-TVQRCGJNSA-N 1 2 375.782 2.537 10 0 GFAELO C[C@H]1CC[N@@H+](Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)[C@@H]1CO ZINC000190442489 552496594 /nfs/dbraw/zinc/49/65/94/552496594.db2.gz AJONICPVIVXLBM-TVQRCGJNSA-N 1 2 375.782 2.537 10 0 GFAELO O=C(Nc1cc(F)cc(F)c1Br)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000190691248 552506306 /nfs/dbraw/zinc/50/63/06/552506306.db2.gz PKJLHRUWJNFYEK-LLVKDONJSA-N 1 2 390.228 2.666 10 0 GFAELO Cc1cc(SCC(=O)NC[C@H]2C[N@H+](C)CCO2)c(C)cc1Br ZINC000194626467 553025601 /nfs/dbraw/zinc/02/56/01/553025601.db2.gz RRJIHQMNGVQGJH-ZDUSSCGKSA-N 1 2 387.343 2.605 10 0 GFAELO Cc1cc(SCC(=O)NC[C@H]2C[N@@H+](C)CCO2)c(C)cc1Br ZINC000194626467 553025604 /nfs/dbraw/zinc/02/56/04/553025604.db2.gz RRJIHQMNGVQGJH-ZDUSSCGKSA-N 1 2 387.343 2.605 10 0 GFAELO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246903962 553115197 /nfs/dbraw/zinc/11/51/97/553115197.db2.gz HYQVQVKGBGZAOY-IIYDPXPESA-N 1 2 387.307 2.940 10 0 GFAELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)C[C@H]1C ZINC000247255830 553120434 /nfs/dbraw/zinc/12/04/34/553120434.db2.gz YCWUXCXBOACOEF-GFCCVEGCSA-N 1 2 381.325 2.725 10 0 GFAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)C[C@H]1C ZINC000247255830 553120436 /nfs/dbraw/zinc/12/04/36/553120436.db2.gz YCWUXCXBOACOEF-GFCCVEGCSA-N 1 2 381.325 2.725 10 0 GFAELO CCOCC[N@@H+]1CCN(C(=O)c2cc(OC)c(Br)s2)C[C@@H]1C ZINC000135095127 655009491 /nfs/dbraw/zinc/00/94/91/655009491.db2.gz XTXHCONOGJHVTE-NSHDSACASA-N 1 2 391.331 2.702 10 0 GFAELO CCOCC[N@H+]1CCN(C(=O)c2cc(OC)c(Br)s2)C[C@@H]1C ZINC000135095127 655009494 /nfs/dbraw/zinc/00/94/94/655009494.db2.gz XTXHCONOGJHVTE-NSHDSACASA-N 1 2 391.331 2.702 10 0 GFAELO C[NH+](C)C[C@@H](NC(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1ccccc1 ZINC000096965436 655032589 /nfs/dbraw/zinc/03/25/89/655032589.db2.gz GUUWXEHQWPOWCD-QGZVFWFLSA-N 1 2 380.897 2.776 10 0 GFAELO C[C@H]1CN(C(=O)c2cc(Cl)ccc2Br)C[C@@H]1[NH+]1CCOCC1 ZINC000173401893 655170144 /nfs/dbraw/zinc/17/01/44/655170144.db2.gz VQDLXHMOGNEBLA-NHYWBVRUSA-N 1 2 387.705 2.895 10 0 GFAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc(Br)cc2)nc[nH+]1 ZINC000173407717 655170460 /nfs/dbraw/zinc/17/04/60/655170460.db2.gz DCNJRTDQULMXDO-AWEZNQCLSA-N 1 2 390.285 2.680 10 0 GFAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc(Br)cc2)[nH+]cn1 ZINC000173407717 655170462 /nfs/dbraw/zinc/17/04/62/655170462.db2.gz DCNJRTDQULMXDO-AWEZNQCLSA-N 1 2 390.285 2.680 10 0 GFAELO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000177280316 655272750 /nfs/dbraw/zinc/27/27/50/655272750.db2.gz NPODOVBSXMNSEQ-IGCXYCKISA-N 1 2 386.323 2.973 10 0 GFAELO O=S(=O)(/C=C/c1ccc(Br)cc1)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000328639225 655386984 /nfs/dbraw/zinc/38/69/84/655386984.db2.gz WTLHTYNCMHHUNX-OAUONFCTSA-N 1 2 396.310 2.798 10 0 GFAELO C[N@H+](CC(=O)N1CCc2[nH]nc(-c3cccc(F)c3)c2C1)Cc1ccccn1 ZINC000012298902 221175959 /nfs/dbraw/zinc/17/59/59/221175959.db2.gz BZBQGZPDQHXOHK-UHFFFAOYSA-N 1 2 379.439 2.628 10 0 GFAELO C[N@@H+](CC(=O)N1CCc2[nH]nc(-c3cccc(F)c3)c2C1)Cc1ccccn1 ZINC000012298902 221175960 /nfs/dbraw/zinc/17/59/60/221175960.db2.gz BZBQGZPDQHXOHK-UHFFFAOYSA-N 1 2 379.439 2.628 10 0 GFAELO O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2ccccc2)N1CC[NH+]1CCOCC1 ZINC000015105850 221332848 /nfs/dbraw/zinc/33/28/48/221332848.db2.gz OCKWGKNHZZITOK-QFIPXVFZSA-N 1 2 388.471 2.954 10 0 GFAELO CN(C)c1nc(N2CCOCC2)[nH+]cc1NC(=O)Nc1ccccc1Cl ZINC000224148261 136206465 /nfs/dbraw/zinc/20/64/65/136206465.db2.gz CZJNDEIIBXFFEO-UHFFFAOYSA-N 1 2 376.848 2.677 10 0 GFAELO CSCC[C@@H](NC(=O)[C@@H](C)[NH+]1CCSCC1)c1nc2ccccc2[nH]1 ZINC000152325955 551431005 /nfs/dbraw/zinc/43/10/05/551431005.db2.gz HXARCIOSFUUAHU-CZUORRHYSA-N 1 2 378.567 2.911 10 0 GFAELO COc1cc[nH+]cc1NC(=O)C(=O)N[C@@H](C)c1ccccc1Br ZINC000155348198 551497905 /nfs/dbraw/zinc/49/79/05/551497905.db2.gz XGJIZVBMFINOLO-JTQLQIEISA-N 1 2 378.226 2.669 10 0 GFAELO CC(C)(C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000172756431 551686390 /nfs/dbraw/zinc/68/63/90/551686390.db2.gz CKNDALWZXUYRNX-INIZCTEOSA-N 1 2 381.314 2.660 10 0 GFAELO C[C@H]1CN(C(=O)c2ccc(Br)cc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000173850698 552094142 /nfs/dbraw/zinc/09/41/42/552094142.db2.gz ATFQFFYNEHFXLV-XHDPSFHLSA-N 1 2 387.705 2.895 10 0 GFAELO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173963750 552095713 /nfs/dbraw/zinc/09/57/13/552095713.db2.gz IMTANQZXNXKLEY-NSHDSACASA-N 1 2 379.873 2.607 10 0 GFAELO C[N@@H+]1CCO[C@H](CNC(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000175505691 552123474 /nfs/dbraw/zinc/12/34/74/552123474.db2.gz WTKSIQUWRWCDOY-LLVKDONJSA-N 1 2 396.702 2.655 10 0 GFAELO C[N@H+]1CCO[C@H](CNC(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000175505691 552123475 /nfs/dbraw/zinc/12/34/75/552123475.db2.gz WTKSIQUWRWCDOY-LLVKDONJSA-N 1 2 396.702 2.655 10 0 GFAELO CCCNC(=O)CN(C)C(=O)C[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000179539224 552195443 /nfs/dbraw/zinc/19/54/43/552195443.db2.gz FOVWVGTXGXEHLO-SNVBAGLBSA-N 1 2 378.275 2.768 10 0 GFAELO C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000180465625 552226766 /nfs/dbraw/zinc/22/67/66/552226766.db2.gz QNVADWJIJPBJFB-SNVBAGLBSA-N 1 2 381.192 2.528 10 0 GFAELO C[N@H+]1CCO[C@H](CNC(=O)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000180465625 552226768 /nfs/dbraw/zinc/22/67/68/552226768.db2.gz QNVADWJIJPBJFB-SNVBAGLBSA-N 1 2 381.192 2.528 10 0 GFAELO Cc1cc(Br)c(F)cc1NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000184831717 552345393 /nfs/dbraw/zinc/34/53/93/552345393.db2.gz CMQXZKZGMAJQSH-LBPRGKRZSA-N 1 2 386.265 2.835 10 0 GFAELO Cc1ccc(CCC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c(Br)c1 ZINC000185534050 552365563 /nfs/dbraw/zinc/36/55/63/552365563.db2.gz QNBVZUNVMMNYDF-MRXNPFEDSA-N 1 2 381.314 2.623 10 0 GFAELO NC(=O)c1coc(C[NH2+][C@@H](c2ccc(Br)cc2)c2cncnc2)c1 ZINC000187734273 552423075 /nfs/dbraw/zinc/42/30/75/552423075.db2.gz RHDBIQXVYCFHBO-INIZCTEOSA-N 1 2 387.237 2.810 10 0 GFAELO CC(C)[C@@](C)(NC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccc(Br)cc1 ZINC000188634274 552450888 /nfs/dbraw/zinc/45/08/88/552450888.db2.gz VHXIOEQBSOLIBO-FUHWJXTLSA-N 1 2 398.345 2.950 10 0 GFAELO CC(C)[C@@](C)(NC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccc(Br)cc1 ZINC000188634274 552450889 /nfs/dbraw/zinc/45/08/89/552450889.db2.gz VHXIOEQBSOLIBO-FUHWJXTLSA-N 1 2 398.345 2.950 10 0 GFAELO O=S(=O)(NC[C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)c(C(F)(F)F)c1 ZINC000328631684 563461749 /nfs/dbraw/zinc/46/17/49/563461749.db2.gz RHMAPXXLSZSAIS-SNVBAGLBSA-N 1 2 377.363 2.582 10 0 GFAELO Cc1sc(Br)cc1S(=O)(=O)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000328636902 563462238 /nfs/dbraw/zinc/46/22/38/563462238.db2.gz VTZGYQQXSWNWEP-SNVBAGLBSA-N 1 2 390.328 2.556 10 0 GFAELO COCC[N@@H+]1CCN(C(=O)[C@@H](C)Sc2nc3ccccc3s2)C[C@H]1C ZINC000130615749 654890576 /nfs/dbraw/zinc/89/05/76/654890576.db2.gz YOJSPCMGQCEXGB-ZIAGYGMSSA-N 1 2 379.551 2.956 10 0 GFAELO COCC[N@H+]1CCN(C(=O)[C@@H](C)Sc2nc3ccccc3s2)C[C@H]1C ZINC000130615749 654890578 /nfs/dbraw/zinc/89/05/78/654890578.db2.gz YOJSPCMGQCEXGB-ZIAGYGMSSA-N 1 2 379.551 2.956 10 0 GFAELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3cc(Cl)c(Cl)n3C)CC2)cn1 ZINC000109661776 655150176 /nfs/dbraw/zinc/15/01/76/655150176.db2.gz XGLHAFKHKAFMGY-UHFFFAOYSA-N 1 2 384.311 2.896 10 0 GFAELO CCn1cc(C[N@H+]2CCCN(C(=O)c3cc(Cl)c(Cl)n3C)CC2)cn1 ZINC000109661776 655150179 /nfs/dbraw/zinc/15/01/79/655150179.db2.gz XGLHAFKHKAFMGY-UHFFFAOYSA-N 1 2 384.311 2.896 10 0 GFAELO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000173766085 655180657 /nfs/dbraw/zinc/18/06/57/655180657.db2.gz IAUNLPRIIWBWIV-XJKSGUPXSA-N 1 2 382.302 2.626 10 0 GFAELO O=C(N[C@@H]1CCSc2ccc(Cl)cc21)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173793334 655181367 /nfs/dbraw/zinc/18/13/67/655181367.db2.gz XYFJPFMEUYMPGP-GDBMZVCRSA-N 1 2 381.929 2.993 10 0 GFAELO Cc1cnn(C[C@@H]2C[N@H+](Cc3cc(Br)cc(C)c3O)CCO2)c1 ZINC000180129254 655322563 /nfs/dbraw/zinc/32/25/63/655322563.db2.gz BKCTXNDAGAALHW-INIZCTEOSA-N 1 2 380.286 2.869 10 0 GFAELO Cc1cnn(C[C@@H]2C[N@@H+](Cc3cc(Br)cc(C)c3O)CCO2)c1 ZINC000180129254 655322567 /nfs/dbraw/zinc/32/25/67/655322567.db2.gz BKCTXNDAGAALHW-INIZCTEOSA-N 1 2 380.286 2.869 10 0 GFAELO O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000194385523 655415466 /nfs/dbraw/zinc/41/54/66/655415466.db2.gz CXDXCYYSESJMPO-ZBFHGGJFSA-N 1 2 376.254 2.640 10 0 GFAELO Cc1cc(Br)ccc1C[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000120507472 677396662 /nfs/dbraw/zinc/39/66/62/677396662.db2.gz NHHNFVRCBUFOCP-UHFFFAOYSA-N 1 2 387.285 2.517 10 0 GFAELO Cc1cccc(C)c1OCCN(Cc1cn2c([nH+]1)CCCC2)S(C)(=O)=O ZINC000328638848 212089398 /nfs/dbraw/zinc/08/93/98/212089398.db2.gz WPLORWABRZYVBD-UHFFFAOYSA-N 1 2 377.510 2.677 10 0 GFAELO Cc1ccc(C)c(OCCN(Cc2cn3c([nH+]2)CCCC3)S(C)(=O)=O)c1 ZINC000328618266 212085209 /nfs/dbraw/zinc/08/52/09/212085209.db2.gz DNBOSVPGKXUJEU-UHFFFAOYSA-N 1 2 377.510 2.677 10 0 GFAELO O=C(C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2)cc1)NCC1CC1 ZINC000013594182 221275784 /nfs/dbraw/zinc/27/57/84/221275784.db2.gz QBIPYIGHVBAPQP-OAQYLSRUSA-N 1 2 377.488 2.570 10 0 GFAELO O=C(C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1)NCC1CC1 ZINC000013594182 221275785 /nfs/dbraw/zinc/27/57/85/221275785.db2.gz QBIPYIGHVBAPQP-OAQYLSRUSA-N 1 2 377.488 2.570 10 0 GFAELO CN(C)c1nc(N2CCCCC2)[nH+]cc1NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000224146236 136206295 /nfs/dbraw/zinc/20/62/95/136206295.db2.gz CSLGAYKGGWKLOJ-UHFFFAOYSA-N 1 2 398.467 2.948 10 0 GFAELO COc1ccccc1OC[C@H](O)C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000031614088 221711240 /nfs/dbraw/zinc/71/12/40/221711240.db2.gz XGTZJVRPCCABGR-MRXNPFEDSA-N 1 2 376.884 2.911 10 0 GFAELO CC(C)(C)OC(=O)N1CCN(C(=O)CCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000065269624 222119082 /nfs/dbraw/zinc/11/90/82/222119082.db2.gz KVLBJHPTIJFTCI-UHFFFAOYSA-N 1 2 388.512 2.694 10 0 GFAELO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000129393397 551357002 /nfs/dbraw/zinc/35/70/02/551357002.db2.gz UKLWYSKGTURIGD-OLZOCXBDSA-N 1 2 387.293 2.604 10 0 GFAELO OC[C@H]1CCCN(c2cc(NCCc3ccc(Br)o3)[nH+]cn2)C1 ZINC000132124341 551377049 /nfs/dbraw/zinc/37/70/49/551377049.db2.gz RHAAWBUKBQLXKV-LBPRGKRZSA-N 1 2 381.274 2.695 10 0 GFAELO OC[C@H]1CCCN(c2cc(NCCc3ccc(Br)o3)nc[nH+]2)C1 ZINC000132124341 551377052 /nfs/dbraw/zinc/37/70/52/551377052.db2.gz RHAAWBUKBQLXKV-LBPRGKRZSA-N 1 2 381.274 2.695 10 0 GFAELO CC(C)(C)c1csc([C@H]2C[N@H+](CCCNC(=O)C(F)(F)F)CCO2)n1 ZINC000154791218 551482928 /nfs/dbraw/zinc/48/29/28/551482928.db2.gz JMRTXMFNHFOATI-LLVKDONJSA-N 1 2 379.448 2.883 10 0 GFAELO CC(C)(C)c1csc([C@H]2C[N@@H+](CCCNC(=O)C(F)(F)F)CCO2)n1 ZINC000154791218 551482930 /nfs/dbraw/zinc/48/29/30/551482930.db2.gz JMRTXMFNHFOATI-LLVKDONJSA-N 1 2 379.448 2.883 10 0 GFAELO CCn1cc[nH+]c1CS(=O)(=O)CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000156263361 551518714 /nfs/dbraw/zinc/51/87/14/551518714.db2.gz ZEDSMYZGNCUORM-MRXNPFEDSA-N 1 2 383.539 2.783 10 0 GFAELO Cc1cccc(S(=O)(=O)N2CCC[C@H]2Cn2cc[nH+]c2)c1Br ZINC000156437606 551523111 /nfs/dbraw/zinc/52/31/11/551523111.db2.gz JQOTZYMHZMWBGX-ZDUSSCGKSA-N 1 2 384.299 2.807 10 0 GFAELO C[C@H]1CN(C(=O)c2cc3cc(Br)ccc3[nH]2)C[C@@H]1[NH+]1CCOCC1 ZINC000173395691 552085155 /nfs/dbraw/zinc/08/51/55/552085155.db2.gz BNXPOUUEOBDTPP-SJCJKPOMSA-N 1 2 392.297 2.723 10 0 GFAELO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000173836039 552093936 /nfs/dbraw/zinc/09/39/36/552093936.db2.gz QUOXJAMXZGJSFJ-GFCCVEGCSA-N 1 2 375.372 2.635 10 0 GFAELO CC(=O)N1CCC(NC(=O)C[NH2+][C@@H](C)c2c(Cl)ccc(F)c2Cl)CC1 ZINC000179542982 552196118 /nfs/dbraw/zinc/19/61/18/552196118.db2.gz KLPSMUWRVHSWTR-JTQLQIEISA-N 1 2 390.286 2.910 10 0 GFAELO Cc1cc(C(=O)NC[C@H]2C[N@H+](C)CCO2)nn1-c1ccc(Cl)cc1Cl ZINC000180465692 552227057 /nfs/dbraw/zinc/22/70/57/552227057.db2.gz CZUAXANWQGZSJW-ZDUSSCGKSA-N 1 2 383.279 2.548 10 0 GFAELO Cc1cc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)nn1-c1ccc(Cl)cc1Cl ZINC000180465692 552227060 /nfs/dbraw/zinc/22/70/60/552227060.db2.gz CZUAXANWQGZSJW-ZDUSSCGKSA-N 1 2 383.279 2.548 10 0 GFAELO CCCCSc1ccc(Cl)cc1C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000185014559 552351403 /nfs/dbraw/zinc/35/14/03/552351403.db2.gz JLUBGELIVHXRRZ-HNNXBMFYSA-N 1 2 386.945 2.655 10 0 GFAELO COCCN1CC[N@H+](CCOc2cc(F)cc(Br)c2)C[C@H]1C ZINC000188956363 552458956 /nfs/dbraw/zinc/45/89/56/552458956.db2.gz DMIKURMLCGCYKP-CYBMUJFWSA-N 1 2 375.282 2.620 10 0 GFAELO COCCN1CC[N@@H+](CCOc2cc(F)cc(Br)c2)C[C@H]1C ZINC000188956363 552458959 /nfs/dbraw/zinc/45/89/59/552458959.db2.gz DMIKURMLCGCYKP-CYBMUJFWSA-N 1 2 375.282 2.620 10 0 GFAELO Cc1nn(C)c(C)c1C[NH+]1CCN(c2ncc(C)cc2Br)CC1 ZINC000194317410 553017655 /nfs/dbraw/zinc/01/76/55/553017655.db2.gz ULXXDTDUSUYGRS-UHFFFAOYSA-N 1 2 378.318 2.825 10 0 GFAELO COc1sc(CN2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cc1Br ZINC000245723152 553095653 /nfs/dbraw/zinc/09/56/53/553095653.db2.gz IIPDNCWFGHYWHU-BXUZGUMPSA-N 1 2 375.332 2.672 10 0 GFAELO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000246902870 553115233 /nfs/dbraw/zinc/11/52/33/553115233.db2.gz HUFVQURRGVZYRP-RNJTYBCJSA-N 1 2 393.325 2.732 10 0 GFAELO C[C@H](C(=O)Nc1nccs1)[N@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000247548109 553124192 /nfs/dbraw/zinc/12/41/92/553124192.db2.gz DRJWFTUJVNRRRX-ZIAGYGMSSA-N 1 2 380.539 2.537 10 0 GFAELO C[C@H](C(=O)Nc1nccs1)[N@@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000247548109 553124193 /nfs/dbraw/zinc/12/41/93/553124193.db2.gz DRJWFTUJVNRRRX-ZIAGYGMSSA-N 1 2 380.539 2.537 10 0 GFAELO COC(=O)[C@H](c1cccc(Cl)c1Cl)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000248441717 553129531 /nfs/dbraw/zinc/12/95/31/553129531.db2.gz KJDDLMGHDJYFKW-VMGRFDJRSA-N 1 2 387.307 2.860 10 0 GFAELO OC[C@@H]1CCCN1c1cc(NC[C@@H](O)c2cc(Cl)cc(Cl)c2)[nH+]cn1 ZINC000301302639 563400106 /nfs/dbraw/zinc/40/01/06/563400106.db2.gz WDARCICWZMXNKC-LSDHHAIUSA-N 1 2 383.279 2.890 10 0 GFAELO OC[C@@H]1CCCN1c1cc(NC[C@@H](O)c2cc(Cl)cc(Cl)c2)nc[nH+]1 ZINC000301302639 563400107 /nfs/dbraw/zinc/40/01/07/563400107.db2.gz WDARCICWZMXNKC-LSDHHAIUSA-N 1 2 383.279 2.890 10 0 GFAELO O=C(C[NH+]1CCC(Nc2cccnn2)CC1)Nc1ccc(Br)cc1 ZINC000106082792 655102083 /nfs/dbraw/zinc/10/20/83/655102083.db2.gz IYMPEDDSPGKIMT-UHFFFAOYSA-N 1 2 390.285 2.754 10 0 GFAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2sccc2Br)nc[nH+]1 ZINC000173440639 655172389 /nfs/dbraw/zinc/17/23/89/655172389.db2.gz XAPKATOJYKTAHG-JTQLQIEISA-N 1 2 396.314 2.741 10 0 GFAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2sccc2Br)[nH+]cn1 ZINC000173440639 655172390 /nfs/dbraw/zinc/17/23/90/655172390.db2.gz XAPKATOJYKTAHG-JTQLQIEISA-N 1 2 396.314 2.741 10 0 GFAELO O=C(COc1ccc(Br)cc1F)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177764887 655288107 /nfs/dbraw/zinc/28/81/07/655288107.db2.gz CJORPJBEPSKKBJ-CYBMUJFWSA-N 1 2 382.233 2.855 10 0 GFAELO CCn1ccc(C(=O)N2CC[C@@]3(C2)[NH2+]Cc2ccccc2NC3=NC(C)(C)C)n1 ZINC000065266018 222118933 /nfs/dbraw/zinc/11/89/33/222118933.db2.gz HUDQJKZQPXHSPH-QFIPXVFZSA-N 1 2 394.523 2.709 10 0 GFAELO CC(=O)Nc1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000065281801 222120896 /nfs/dbraw/zinc/12/08/96/222120896.db2.gz ZIIRXUWNVFBIHS-HXUWFJFHSA-N 1 2 387.505 2.631 10 0 GFAELO CC(=O)Nc1ccc(S(=O)(=O)N2CC[N@H+](C)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000065281801 222120899 /nfs/dbraw/zinc/12/08/99/222120899.db2.gz ZIIRXUWNVFBIHS-HXUWFJFHSA-N 1 2 387.505 2.631 10 0 GFAELO CCc1cc(N2CC[NH+](CC(=O)[O-])CC2)nc(-c2ccc(C(F)(F)F)cc2)[nH+]1 ZINC000073685687 523795366 /nfs/dbraw/zinc/79/53/66/523795366.db2.gz CXYQQQLPGPCXJX-UHFFFAOYSA-N 1 2 394.397 2.931 10 0 GFAELO CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000027565768 551123002 /nfs/dbraw/zinc/12/30/02/551123002.db2.gz QYEZJIDMEQRPPC-CYBMUJFWSA-N 1 2 377.794 2.850 10 0 GFAELO CN(C)C(=O)[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000027565768 551123005 /nfs/dbraw/zinc/12/30/05/551123005.db2.gz QYEZJIDMEQRPPC-CYBMUJFWSA-N 1 2 377.794 2.850 10 0 GFAELO Brc1ccc(-c2c[nH]c(C[N@@H+]3CC[C@@H](N4CCOCC4)C3)n2)cc1 ZINC000121037330 551225677 /nfs/dbraw/zinc/22/56/77/551225677.db2.gz MASWODCMSLFEOB-MRXNPFEDSA-N 1 2 391.313 2.746 10 0 GFAELO Brc1ccc(-c2c[nH]c(C[N@H+]3CC[C@@H](N4CCOCC4)C3)n2)cc1 ZINC000121037330 551225679 /nfs/dbraw/zinc/22/56/79/551225679.db2.gz MASWODCMSLFEOB-MRXNPFEDSA-N 1 2 391.313 2.746 10 0 GFAELO Brc1ccc(-c2c[nH]c(CN3CC[C@@H]([NH+]4CCOCC4)C3)n2)cc1 ZINC000121037330 551225682 /nfs/dbraw/zinc/22/56/82/551225682.db2.gz MASWODCMSLFEOB-MRXNPFEDSA-N 1 2 391.313 2.746 10 0 GFAELO Cc1noc([C@@H](C)N2CC[NH+](C[C@H](O)c3ccccc3Br)CC2)n1 ZINC000152946293 551443106 /nfs/dbraw/zinc/44/31/06/551443106.db2.gz RFUWUWBKNSOGMU-WBMJQRKESA-N 1 2 395.301 2.553 10 0 GFAELO CSc1nsc(NC(=O)N2CCC[N@H+](Cc3csc(C)n3)CC2)n1 ZINC000156774046 551527812 /nfs/dbraw/zinc/52/78/12/551527812.db2.gz KTYWNXRPGMIDMF-UHFFFAOYSA-N 1 2 384.556 2.765 10 0 GFAELO CSc1nsc(NC(=O)N2CCC[N@@H+](Cc3csc(C)n3)CC2)n1 ZINC000156774046 551527814 /nfs/dbraw/zinc/52/78/14/551527814.db2.gz KTYWNXRPGMIDMF-UHFFFAOYSA-N 1 2 384.556 2.765 10 0 GFAELO Brc1ccc(C[N@@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)nc1 ZINC000171960688 551667375 /nfs/dbraw/zinc/66/73/75/551667375.db2.gz CQVKEODJWLXQIX-UHFFFAOYSA-N 1 2 392.301 2.812 10 0 GFAELO Brc1ccc(C[N@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)nc1 ZINC000171960688 551667377 /nfs/dbraw/zinc/66/73/77/551667377.db2.gz CQVKEODJWLXQIX-UHFFFAOYSA-N 1 2 392.301 2.812 10 0 GFAELO O=S(=O)(c1ccc(F)cc1Br)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000173836006 552093625 /nfs/dbraw/zinc/09/36/25/552093625.db2.gz VHIBCBDTUIOWBP-GFCCVEGCSA-N 1 2 388.262 2.638 10 0 GFAELO C[C@@H]1CN(C(=O)c2ccc(Br)cc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000173850662 552094030 /nfs/dbraw/zinc/09/40/30/552094030.db2.gz ATFQFFYNEHFXLV-ABAIWWIYSA-N 1 2 387.705 2.895 10 0 GFAELO C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCO[C@@H]2c2ccc(Cl)cc2Cl)C1 ZINC000185156522 552355934 /nfs/dbraw/zinc/35/59/34/552355934.db2.gz CMJRMBOVHJEZPB-FRFSOERESA-N 1 2 387.307 2.908 10 0 GFAELO C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCO[C@@H]2c2ccc(Cl)cc2Cl)C1 ZINC000185156522 552355935 /nfs/dbraw/zinc/35/59/35/552355935.db2.gz CMJRMBOVHJEZPB-FRFSOERESA-N 1 2 387.307 2.908 10 0 GFAELO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186273411 552383272 /nfs/dbraw/zinc/38/32/72/552383272.db2.gz HNVDVSGAVPNAQI-MLGOLLRUSA-N 1 2 398.326 2.741 10 0 GFAELO CC[C@H](Cc1ccccc1Br)N(C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000187813534 552424783 /nfs/dbraw/zinc/42/47/83/552424783.db2.gz CQKRVMNMIWAHIK-CVEARBPZSA-N 1 2 398.345 2.742 10 0 GFAELO CC[C@H](Cc1ccccc1Br)N(C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000187813534 552424784 /nfs/dbraw/zinc/42/47/84/552424784.db2.gz CQKRVMNMIWAHIK-CVEARBPZSA-N 1 2 398.345 2.742 10 0 GFAELO C[C@H]1CN(C(=O)c2c[nH]nc2-c2ccc(Cl)s2)C[C@H]1[NH+]1CCOCC1 ZINC000189935290 552483307 /nfs/dbraw/zinc/48/33/07/552483307.db2.gz ULKFFYIUVVNCOU-WCQYABFASA-N 1 2 380.901 2.584 10 0 GFAELO Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000190748592 552508074 /nfs/dbraw/zinc/50/80/74/552508074.db2.gz HOUXLDKMCRJHGM-CQSZACIVSA-N 1 2 391.269 2.584 10 0 GFAELO CSc1ccc(NC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1Cl ZINC000190759843 552508507 /nfs/dbraw/zinc/50/85/07/552508507.db2.gz FWJHGLHTNGCENU-CYBMUJFWSA-N 1 2 378.885 2.888 10 0 GFAELO Cn1nc(Br)c2c1ncnc2NCc1[nH+]ccn1Cc1ccccc1 ZINC000301466339 563404145 /nfs/dbraw/zinc/40/41/45/563404145.db2.gz LSIWSXQCLABFEZ-UHFFFAOYSA-N 1 2 398.268 2.983 10 0 GFAELO C[C@@H]1CN(C(=O)c2cc3cc(Br)ccc3o2)C[C@@H]1[NH+]1CCOCC1 ZINC000173406390 655170422 /nfs/dbraw/zinc/17/04/22/655170422.db2.gz WRHAUSXOTLAABF-DOMZBBRYSA-N 1 2 393.281 2.988 10 0 GFAELO COCC[N@@H+]1CCN(C(=O)c2cc3cc(Br)ccc3o2)C[C@@H]1C ZINC000117296152 655263589 /nfs/dbraw/zinc/26/35/89/655263589.db2.gz BOKLHWVRWNCNBJ-LBPRGKRZSA-N 1 2 381.270 2.988 10 0 GFAELO COCC[N@H+]1CCN(C(=O)c2cc3cc(Br)ccc3o2)C[C@@H]1C ZINC000117296152 655263594 /nfs/dbraw/zinc/26/35/94/655263594.db2.gz BOKLHWVRWNCNBJ-LBPRGKRZSA-N 1 2 381.270 2.988 10 0 GFAELO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cn3cc(Br)cn3)C[C@H]21 ZINC000248627200 655432765 /nfs/dbraw/zinc/43/27/65/655432765.db2.gz OHLKVMWYXMYCKT-IACUBPJLSA-N 1 2 385.306 2.838 10 0 GFAELO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cn3cc(Br)cn3)C[C@H]21 ZINC000248627200 655432769 /nfs/dbraw/zinc/43/27/69/655432769.db2.gz OHLKVMWYXMYCKT-IACUBPJLSA-N 1 2 385.306 2.838 10 0 GFAELO COc1cc2c(cc1OC)[C@@H]([C@@H]1OC(=O)c3c1ccc1c3OCO1)[N@H+](C)CC2 ZINC000014414493 291122057 /nfs/dbraw/zinc/12/20/57/291122057.db2.gz SZDGAZFTAUFFQH-RBUKOAKNSA-N 1 2 383.400 2.873 10 0 biogenic,in-vitro GFAELO COc1cc2c(cc1OC)[C@@H]([C@@H]1OC(=O)c3c1ccc1c3OCO1)[N@@H+](C)CC2 ZINC000014414493 291122061 /nfs/dbraw/zinc/12/20/61/291122061.db2.gz SZDGAZFTAUFFQH-RBUKOAKNSA-N 1 2 383.400 2.873 10 0 biogenic,in-vitro GFAELO CN(C)c1nc(N2CCCCC2)[nH+]cc1NC(=O)Nc1ccc2c(c1)OCO2 ZINC000224144533 136206264 /nfs/dbraw/zinc/20/62/64/136206264.db2.gz QKWADIMRKVFDPL-UHFFFAOYSA-N 1 2 384.440 2.906 10 0 GFAELO CC(C)c1nc(C2=CC[N@H+](CC(=O)NCc3cc(F)cc(F)c3)CC2)no1 ZINC000064756889 222080261 /nfs/dbraw/zinc/08/02/61/222080261.db2.gz OGLJRHMZBOQZEE-UHFFFAOYSA-N 1 2 376.407 2.877 10 0 GFAELO CC(C)c1nc(C2=CC[N@@H+](CC(=O)NCc3cc(F)cc(F)c3)CC2)no1 ZINC000064756889 222080264 /nfs/dbraw/zinc/08/02/64/222080264.db2.gz OGLJRHMZBOQZEE-UHFFFAOYSA-N 1 2 376.407 2.877 10 0 GFAELO COCCN=C1Nc2ccccc2C[NH2+][C@@]12CCN(C(=O)c1ccccc1C)C2 ZINC000065265819 222119282 /nfs/dbraw/zinc/11/92/82/222119282.db2.gz RGKDIWVUPRSVTM-HSZRJFAPSA-N 1 2 392.503 2.649 10 0 GFAELO C[C@H](CNC(=O)Nc1nnc(-c2cccc(Cl)c2)s1)[NH+]1CCOCC1 ZINC000129599889 551358380 /nfs/dbraw/zinc/35/83/80/551358380.db2.gz FXHOGZKDYXMMQW-LLVKDONJSA-N 1 2 381.889 2.701 10 0 GFAELO COc1cccc(COCCNc2[nH+]cnc3c2c(Br)nn3C)c1 ZINC000157890869 551544477 /nfs/dbraw/zinc/54/44/77/551544477.db2.gz BKHLRSZBWZRZPQ-UHFFFAOYSA-N 1 2 392.257 2.763 10 0 GFAELO CCOCC[N@@H+]1CCN(C(=O)c2cc3sc(N(C)C)nc3s2)C[C@@H]1C ZINC000172217534 551673663 /nfs/dbraw/zinc/67/36/63/551673663.db2.gz DBSDXHFOVAHBLM-LBPRGKRZSA-N 1 2 382.555 2.607 10 0 GFAELO CCOCC[N@H+]1CCN(C(=O)c2cc3sc(N(C)C)nc3s2)C[C@@H]1C ZINC000172217534 551673664 /nfs/dbraw/zinc/67/36/64/551673664.db2.gz DBSDXHFOVAHBLM-LBPRGKRZSA-N 1 2 382.555 2.607 10 0 GFAELO CC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172749380 551686576 /nfs/dbraw/zinc/68/65/76/551686576.db2.gz PJYHGXXSTTXSRD-AEFFLSMTSA-N 1 2 395.341 2.951 10 0 GFAELO C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)c1ccc(Br)s1 ZINC000173398223 552084935 /nfs/dbraw/zinc/08/49/35/552084935.db2.gz WYUKXIFKPQZHCX-FRRDWIJNSA-N 1 2 387.343 2.793 10 0 GFAELO O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000173835425 552093221 /nfs/dbraw/zinc/09/32/21/552093221.db2.gz HHSWVUVQMAVIIP-GFCCVEGCSA-N 1 2 375.372 2.635 10 0 GFAELO C[C@H]1CN(C(=O)c2ccc(Br)cc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000173850674 552094362 /nfs/dbraw/zinc/09/43/62/552094362.db2.gz ATFQFFYNEHFXLV-NHYWBVRUSA-N 1 2 387.705 2.895 10 0 GFAELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3occc3Br)CC2)cn1 ZINC000176011588 552134235 /nfs/dbraw/zinc/13/42/35/552134235.db2.gz PRZRHOCNSFDISL-UHFFFAOYSA-N 1 2 381.274 2.607 10 0 GFAELO CCn1cc(C[N@H+]2CCCN(C(=O)c3occc3Br)CC2)cn1 ZINC000176011588 552134237 /nfs/dbraw/zinc/13/42/37/552134237.db2.gz PRZRHOCNSFDISL-UHFFFAOYSA-N 1 2 381.274 2.607 10 0 GFAELO CCOC(=O)[C@H](C)[N@H+](C[C@H](O)COc1cccc(Br)c1)C1CC1 ZINC000190850939 552511008 /nfs/dbraw/zinc/51/10/08/552511008.db2.gz VFXZEWHYSFJGNC-WFASDCNBSA-N 1 2 386.286 2.605 10 0 GFAELO CCOC(=O)[C@H](C)[N@@H+](C[C@H](O)COc1cccc(Br)c1)C1CC1 ZINC000190850939 552511011 /nfs/dbraw/zinc/51/10/11/552511011.db2.gz VFXZEWHYSFJGNC-WFASDCNBSA-N 1 2 386.286 2.605 10 0 GFAELO COC(=O)[C@@H](c1cccc(Br)c1)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000245946290 553099845 /nfs/dbraw/zinc/09/98/45/553099845.db2.gz RWNVIQUHJMKRIK-CZUORRHYSA-N 1 2 378.270 2.886 10 0 GFAELO COC(=O)[C@@H](c1cccc(Br)c1)[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000245946290 553099846 /nfs/dbraw/zinc/09/98/46/553099846.db2.gz RWNVIQUHJMKRIK-CZUORRHYSA-N 1 2 378.270 2.886 10 0 GFAELO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000246464204 553107667 /nfs/dbraw/zinc/10/76/67/553107667.db2.gz NPODOVBSXMNSEQ-XNJGSVPQSA-N 1 2 386.323 2.973 10 0 GFAELO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246464204 553107669 /nfs/dbraw/zinc/10/76/69/553107669.db2.gz NPODOVBSXMNSEQ-XNJGSVPQSA-N 1 2 386.323 2.973 10 0 GFAELO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246464204 553107672 /nfs/dbraw/zinc/10/76/72/553107672.db2.gz NPODOVBSXMNSEQ-XNJGSVPQSA-N 1 2 386.323 2.973 10 0 GFAELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)C[C@H]1C ZINC000247014511 553117165 /nfs/dbraw/zinc/11/71/65/553117165.db2.gz HHXHMHDTUPSTML-GFCCVEGCSA-N 1 2 381.325 2.725 10 0 GFAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)C[C@H]1C ZINC000247014511 553117168 /nfs/dbraw/zinc/11/71/68/553117168.db2.gz HHXHMHDTUPSTML-GFCCVEGCSA-N 1 2 381.325 2.725 10 0 GFAELO C[N@H+](CC(=O)[O-])[C@H]1CCC[NH+](CCOc2ccccc2Br)CC1 ZINC000263581163 553189458 /nfs/dbraw/zinc/18/94/58/553189458.db2.gz WVARCZVPKLUNER-AWEZNQCLSA-N 1 2 385.302 2.699 10 0 GFAELO C[N@@H+](CC(=O)[O-])[C@H]1CCC[NH+](CCOc2ccccc2Br)CC1 ZINC000263581163 553189463 /nfs/dbraw/zinc/18/94/63/553189463.db2.gz WVARCZVPKLUNER-AWEZNQCLSA-N 1 2 385.302 2.699 10 0 GFAELO C[NH+](CC(=O)[O-])[C@H]1CCC[N@H+](CCOc2ccccc2Br)CC1 ZINC000263581163 553189465 /nfs/dbraw/zinc/18/94/65/553189465.db2.gz WVARCZVPKLUNER-AWEZNQCLSA-N 1 2 385.302 2.699 10 0 GFAELO C[NH+](CC(=O)[O-])[C@H]1CCC[N@@H+](CCOc2ccccc2Br)CC1 ZINC000263581163 553189469 /nfs/dbraw/zinc/18/94/69/553189469.db2.gz WVARCZVPKLUNER-AWEZNQCLSA-N 1 2 385.302 2.699 10 0 GFAELO CNc1nc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)[nH+]cc1Br ZINC000302562798 563426803 /nfs/dbraw/zinc/42/68/03/563426803.db2.gz UXBPKJUCWXQVLY-SNVBAGLBSA-N 1 2 386.294 2.726 10 0 GFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)NCc2ccc(Cl)s2)nc[nH+]1 ZINC000174002108 655189675 /nfs/dbraw/zinc/18/96/75/655189675.db2.gz BCFARELYGPZCNG-LLVKDONJSA-N 1 2 380.905 2.701 10 0 GFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)NCc2ccc(Cl)s2)[nH+]cn1 ZINC000174002108 655189679 /nfs/dbraw/zinc/18/96/79/655189679.db2.gz BCFARELYGPZCNG-LLVKDONJSA-N 1 2 380.905 2.701 10 0 GFAELO COc1ccc(CN2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c(Br)c1OC ZINC000177276894 655272605 /nfs/dbraw/zinc/27/26/05/655272605.db2.gz QCCWBJXHWBCHOQ-ZFWWWQNUSA-N 1 2 399.329 2.619 10 0 GFAELO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cn3cc(Br)cn3)C[C@@H]21 ZINC000184809745 655359725 /nfs/dbraw/zinc/35/97/25/655359725.db2.gz OHLKVMWYXMYCKT-FPMFFAJLSA-N 1 2 385.306 2.838 10 0 GFAELO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cn3cc(Br)cn3)C[C@@H]21 ZINC000184809745 655359726 /nfs/dbraw/zinc/35/97/26/655359726.db2.gz OHLKVMWYXMYCKT-FPMFFAJLSA-N 1 2 385.306 2.838 10 0 GFAELO Cc1csc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3sccc3C(N)=O)C2)n1 ZINC000249869291 655434827 /nfs/dbraw/zinc/43/48/27/655434827.db2.gz JAGWQFKFLDLRSC-VXGBXAGGSA-N 1 2 378.523 2.819 10 0 GFAELO Cc1csc([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3sccc3C(N)=O)C2)n1 ZINC000249869291 655434829 /nfs/dbraw/zinc/43/48/29/655434829.db2.gz JAGWQFKFLDLRSC-VXGBXAGGSA-N 1 2 378.523 2.819 10 0 GFAELO C[C@@H](C[NH+]1CCN([C@H]2Cc3ccccc3C[C@@H]2O)CC1)C(=O)c1ccccc1 ZINC000022033533 212154327 /nfs/dbraw/zinc/15/43/27/212154327.db2.gz SZDLYOHKAVLHRP-TZYHBYERSA-N 1 2 378.516 2.651 10 0 GFAELO CC[NH+]1CCN(C2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000064527305 222072360 /nfs/dbraw/zinc/07/23/60/222072360.db2.gz RKOOMTFLQHEJFF-UHFFFAOYSA-N 1 2 388.682 2.955 10 0 GFAELO CCn1ccc(C(=O)N2CC[C@]3(C2)[NH2+]Cc2ccccc2NC3=NC(C)(C)C)n1 ZINC000065266017 222118994 /nfs/dbraw/zinc/11/89/94/222118994.db2.gz HUDQJKZQPXHSPH-JOCHJYFZSA-N 1 2 394.523 2.709 10 0 GFAELO C[C@H]1CN(C(=O)CSc2cccc(Br)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000164091850 551623891 /nfs/dbraw/zinc/62/38/91/551623891.db2.gz DXCNRQRIQQHVDU-BBRMVZONSA-N 1 2 399.354 2.720 10 0 GFAELO CC(C)Oc1cc(Br)ccc1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172750201 551686334 /nfs/dbraw/zinc/68/63/34/551686334.db2.gz IWERLULZJFOXSG-OAHLLOKOSA-N 1 2 397.313 2.783 10 0 GFAELO C[C@H](Sc1ccc(Br)cc1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172767514 551686496 /nfs/dbraw/zinc/68/64/96/551686496.db2.gz DFZKYHGBHOLFLC-ZFWWWQNUSA-N 1 2 399.354 2.863 10 0 GFAELO C[N@@H+]1CCO[C@H](CNC(=O)CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000175907400 552132202 /nfs/dbraw/zinc/13/22/02/552132202.db2.gz BIKLQSWMRHWPAX-CQSZACIVSA-N 1 2 379.913 2.817 10 0 GFAELO C[N@H+]1CCO[C@H](CNC(=O)CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000175907400 552132204 /nfs/dbraw/zinc/13/22/04/552132204.db2.gz BIKLQSWMRHWPAX-CQSZACIVSA-N 1 2 379.913 2.817 10 0 GFAELO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ncc(Br)s3)C2=O)n(C)n1 ZINC000182349859 552281525 /nfs/dbraw/zinc/28/15/25/552281525.db2.gz MBZYKLQKULSESX-WDEREUQCSA-N 1 2 398.330 2.794 10 0 GFAELO C[C@@H]1CN(C(=O)c2cccc(Br)c2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000184077469 552326805 /nfs/dbraw/zinc/32/68/05/552326805.db2.gz NJLXHBSYVWGDDN-BXUZGUMPSA-N 1 2 387.705 2.895 10 0 GFAELO Cc1ccc(CCC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c(Br)c1 ZINC000185534027 552365493 /nfs/dbraw/zinc/36/54/93/552365493.db2.gz QNBVZUNVMMNYDF-INIZCTEOSA-N 1 2 381.314 2.623 10 0 GFAELO CCn1c(C)nnc1C[N@H+](CCC(=O)OC)Cc1cccc(Br)c1 ZINC000192329117 552560344 /nfs/dbraw/zinc/56/03/44/552560344.db2.gz HBFYFFYCHNWIHR-UHFFFAOYSA-N 1 2 395.301 2.934 10 0 GFAELO CCn1c(C)nnc1C[N@@H+](CCC(=O)OC)Cc1cccc(Br)c1 ZINC000192329117 552560347 /nfs/dbraw/zinc/56/03/47/552560347.db2.gz HBFYFFYCHNWIHR-UHFFFAOYSA-N 1 2 395.301 2.934 10 0 GFAELO Nc1[nH+]cnc2c1c(I)cn2-c1ccc([N+](=O)[O-])cc1 ZINC000219449604 553054494 /nfs/dbraw/zinc/05/44/94/553054494.db2.gz APZPASLKJMVBNL-UHFFFAOYSA-N 1 2 381.133 2.516 10 0 GFAELO CCc1nc(CC(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)cs1 ZINC000246946052 553115733 /nfs/dbraw/zinc/11/57/33/553115733.db2.gz OZOGGKDWHWGXHL-ZFWWWQNUSA-N 1 2 379.551 2.888 10 0 GFAELO CCc1nc(CC(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)cs1 ZINC000246946052 553115734 /nfs/dbraw/zinc/11/57/34/553115734.db2.gz OZOGGKDWHWGXHL-ZFWWWQNUSA-N 1 2 379.551 2.888 10 0 GFAELO Cc1cnc(CNC(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)s1 ZINC000248368376 553128775 /nfs/dbraw/zinc/12/87/75/553128775.db2.gz VDEDOSHILXWRPW-GXTWGEPZSA-N 1 2 380.539 2.774 10 0 GFAELO Cc1cnc(CNC(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)s1 ZINC000248368376 553128776 /nfs/dbraw/zinc/12/87/76/553128776.db2.gz VDEDOSHILXWRPW-GXTWGEPZSA-N 1 2 380.539 2.774 10 0 GFAELO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@@H]1CC(F)(F)CN1 ZINC000262957347 553179591 /nfs/dbraw/zinc/17/95/91/553179591.db2.gz KHWWPESLEFFNMI-UONOGXRCSA-N 1 2 375.822 2.729 10 0 GFAELO OC[C@@H]1CCCN1c1cc(N2CCc3cccc(Br)c3C2)[nH+]cn1 ZINC000301283131 563399423 /nfs/dbraw/zinc/39/94/23/563399423.db2.gz LLHLABLKDDTHKI-AWEZNQCLSA-N 1 2 389.297 2.763 10 0 GFAELO OC[C@@H]1CCCN1c1cc(N2CCc3cccc(Br)c3C2)nc[nH+]1 ZINC000301283131 563399427 /nfs/dbraw/zinc/39/94/27/563399427.db2.gz LLHLABLKDDTHKI-AWEZNQCLSA-N 1 2 389.297 2.763 10 0 GFAELO C[NH+](C)C[C@H](NC(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1ccccc1 ZINC000096965435 655032544 /nfs/dbraw/zinc/03/25/44/655032544.db2.gz GUUWXEHQWPOWCD-KRWDZBQOSA-N 1 2 380.897 2.776 10 0 GFAELO C[N@@H+]1CCO[C@@H](CNC(=O)CCCSc2ccc(Br)cc2)C1 ZINC000108263575 655130173 /nfs/dbraw/zinc/13/01/73/655130173.db2.gz UPQRUBMRWJYLIL-AWEZNQCLSA-N 1 2 387.343 2.768 10 0 GFAELO C[N@H+]1CCO[C@@H](CNC(=O)CCCSc2ccc(Br)cc2)C1 ZINC000108263575 655130176 /nfs/dbraw/zinc/13/01/76/655130176.db2.gz UPQRUBMRWJYLIL-AWEZNQCLSA-N 1 2 387.343 2.768 10 0 GFAELO Cc1ncc(C[NH+]2CCN(Cn3ncn(CC(F)(F)F)c3=S)CC2)s1 ZINC000111165107 655165820 /nfs/dbraw/zinc/16/58/20/655165820.db2.gz FHAQASCTGCWBRI-UHFFFAOYSA-N 1 2 392.476 2.517 10 0 GFAELO O=S(=O)(c1ccc(Br)s1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000173732526 655178344 /nfs/dbraw/zinc/17/83/44/655178344.db2.gz FMWMQOFNPKAEQS-JTQLQIEISA-N 1 2 376.301 2.560 10 0 GFAELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2cccc3c2N=S=N3)C[C@H]1CC ZINC000116899236 655255901 /nfs/dbraw/zinc/25/59/01/655255901.db2.gz VTLWOUUTVPNKMA-CYBMUJFWSA-N 1 2 384.527 2.534 10 0 GFAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2cccc3c2N=S=N3)C[C@H]1CC ZINC000116899236 655255906 /nfs/dbraw/zinc/25/59/06/655255906.db2.gz VTLWOUUTVPNKMA-CYBMUJFWSA-N 1 2 384.527 2.534 10 0 GFAELO CCOCC[N@@H+]1CCN(C(=O)c2ccc(Br)cc2O)C[C@@H]1CC ZINC000116977165 655258256 /nfs/dbraw/zinc/25/82/56/655258256.db2.gz ADNKSMZVUMOCRJ-AWEZNQCLSA-N 1 2 385.302 2.728 10 0 GFAELO CCOCC[N@H+]1CCN(C(=O)c2ccc(Br)cc2O)C[C@@H]1CC ZINC000116977165 655258257 /nfs/dbraw/zinc/25/82/57/655258257.db2.gz ADNKSMZVUMOCRJ-AWEZNQCLSA-N 1 2 385.302 2.728 10 0 GFAELO Cc1csc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3sccc3C(N)=O)C2)n1 ZINC000195328909 655420119 /nfs/dbraw/zinc/42/01/19/655420119.db2.gz JAGWQFKFLDLRSC-NWDGAFQWSA-N 1 2 378.523 2.819 10 0 GFAELO Cc1csc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3sccc3C(N)=O)C2)n1 ZINC000195328909 655420120 /nfs/dbraw/zinc/42/01/20/655420120.db2.gz JAGWQFKFLDLRSC-NWDGAFQWSA-N 1 2 378.523 2.819 10 0 GFAELO O=C(c1n[nH]c2ccccc21)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000328615960 212085943 /nfs/dbraw/zinc/08/59/43/212085943.db2.gz BFTGYMPEVZNTRN-OAHLLOKOSA-N 1 2 377.448 2.852 10 0 GFAELO CSCCNC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000012716924 221220420 /nfs/dbraw/zinc/22/04/20/221220420.db2.gz KXLDGFJQIOHRJH-FQEVSTJZSA-N 1 2 397.544 2.523 10 0 GFAELO CSCCNC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000012716924 221220423 /nfs/dbraw/zinc/22/04/23/221220423.db2.gz KXLDGFJQIOHRJH-FQEVSTJZSA-N 1 2 397.544 2.523 10 0 GFAELO Nc1c(Nc2cc(F)ccc2F)ncnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000040799251 132407678 /nfs/dbraw/zinc/40/76/78/132407678.db2.gz RTNDLERXNCSUEC-UHFFFAOYSA-N 1 2 383.406 2.802 10 0 GFAELO COCCN=C1Nc2ccccc2C[NH2+][C@@]12CCN(C(=O)c1ccc(C)s1)C2 ZINC000065265749 222118962 /nfs/dbraw/zinc/11/89/62/222118962.db2.gz KYLKSKNZOCWZBP-OAQYLSRUSA-N 1 2 398.532 2.711 10 0 GFAELO C[C@H](CNC(=O)N(Cc1cccc(Br)c1)C1CC1)[NH+]1CCOCC1 ZINC000046261849 551150155 /nfs/dbraw/zinc/15/01/55/551150155.db2.gz GXGJYCCHOZKDGC-CQSZACIVSA-N 1 2 396.329 2.844 10 0 GFAELO CCn1cc[nH+]c1CS(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000107075186 551201605 /nfs/dbraw/zinc/20/16/05/551201605.db2.gz DNDJRBLJEGXKRZ-UHFFFAOYSA-N 1 2 387.255 2.509 10 0 GFAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)C1 ZINC000126117604 551326352 /nfs/dbraw/zinc/32/63/52/551326352.db2.gz JNRHVUWILNSOQQ-OAHLLOKOSA-N 1 2 383.945 2.937 10 0 GFAELO C[N@H+]1CCO[C@H](CNC(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)C1 ZINC000126117604 551326354 /nfs/dbraw/zinc/32/63/54/551326354.db2.gz JNRHVUWILNSOQQ-OAHLLOKOSA-N 1 2 383.945 2.937 10 0 GFAELO CCOCCOc1ccc(Br)cc1C[N@@H+]1CCC[C@H](NC(C)=O)C1 ZINC000153910809 551462978 /nfs/dbraw/zinc/46/29/78/551462978.db2.gz GESIKLNDAIVXAP-KRWDZBQOSA-N 1 2 399.329 2.965 10 0 GFAELO CCOCCOc1ccc(Br)cc1C[N@H+]1CCC[C@H](NC(C)=O)C1 ZINC000153910809 551462979 /nfs/dbraw/zinc/46/29/79/551462979.db2.gz GESIKLNDAIVXAP-KRWDZBQOSA-N 1 2 399.329 2.965 10 0 GFAELO C[C@@H]1CN(C(=O)c2ccc(Br)c(Cl)c2)C[C@H]1[NH+]1CCOCC1 ZINC000157999312 551545541 /nfs/dbraw/zinc/54/55/41/551545541.db2.gz KHWIZROLNBJKAC-IAQYHMDHSA-N 1 2 387.705 2.895 10 0 GFAELO O=C(c1cc2c(cc(Br)cc2F)[nH]1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172744073 551686430 /nfs/dbraw/zinc/68/64/30/551686430.db2.gz KAROJQBJIXFQLS-LBPRGKRZSA-N 1 2 396.260 2.616 10 0 GFAELO C[C@@H]1CN(C(=O)C2(c3cccc(Br)c3)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000173818005 552092412 /nfs/dbraw/zinc/09/24/12/552092412.db2.gz BJCOIVUAPXBUQO-RHSMWYFYSA-N 1 2 393.325 2.660 10 0 GFAELO CC[C@@H](NC(=O)NC[C@H](C)[NH+]1CCOCC1)c1nc(C(F)(F)F)cs1 ZINC000173826027 552093191 /nfs/dbraw/zinc/09/31/91/552093191.db2.gz BFFZMMJQXZHALC-WDEREUQCSA-N 1 2 380.436 2.633 10 0 GFAELO C[C@@H]1CN(C(=O)CSc2nc3ccccc3s2)C[C@H]1[NH+]1CCOCC1 ZINC000173967955 552096481 /nfs/dbraw/zinc/09/64/81/552096481.db2.gz WUABVHGAYPCCGT-UKRRQHHQSA-N 1 2 377.535 2.568 10 0 GFAELO C[C@H]1CN(C(=O)Nc2cc(Br)ccc2F)C[C@H]1[NH+]1CCOCC1 ZINC000177849661 552159784 /nfs/dbraw/zinc/15/97/84/552159784.db2.gz YNNQAENSHCIWGQ-XHDPSFHLSA-N 1 2 386.265 2.773 10 0 GFAELO O=C(Nc1ccc(Cl)cc1OC(F)F)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000184399387 552334689 /nfs/dbraw/zinc/33/46/89/552334689.db2.gz QEJXAMGNQCSDDW-GFCCVEGCSA-N 1 2 375.803 2.880 10 0 GFAELO CC[C@@H](Cc1ccccc1Br)N(C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000187813515 552424807 /nfs/dbraw/zinc/42/48/07/552424807.db2.gz CQKRVMNMIWAHIK-HOTGVXAUSA-N 1 2 398.345 2.742 10 0 GFAELO CC[C@@H](Cc1ccccc1Br)N(C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000187813515 552424810 /nfs/dbraw/zinc/42/48/10/552424810.db2.gz CQKRVMNMIWAHIK-HOTGVXAUSA-N 1 2 398.345 2.742 10 0 GFAELO CC(C)(C)c1nnc(NC(=O)C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)s1 ZINC000188092408 552434581 /nfs/dbraw/zinc/43/45/81/552434581.db2.gz QIQDVOVUVNBPHB-STQMWFEESA-N 1 2 380.539 2.544 10 0 GFAELO CC(C)(C)c1nnc(NC(=O)C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)s1 ZINC000188092408 552434582 /nfs/dbraw/zinc/43/45/82/552434582.db2.gz QIQDVOVUVNBPHB-STQMWFEESA-N 1 2 380.539 2.544 10 0 GFAELO CCOc1ccc(NC(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1Br ZINC000189489062 552473085 /nfs/dbraw/zinc/47/30/85/552473085.db2.gz WIXPTURHSKSSLI-GFCCVEGCSA-N 1 2 386.290 2.690 10 0 GFAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1cc2sc3ccccc3c2s1 ZINC000192709964 552971786 /nfs/dbraw/zinc/97/17/86/552971786.db2.gz TXFMVOYJVRFOQP-LBPRGKRZSA-N 1 2 376.503 2.539 10 0 GFAELO Cc1nc(C[C@H]2CCC[N@@H+]([C@@H](C(N)=O)c3ccc(Br)cc3)C2)no1 ZINC000245920822 553099791 /nfs/dbraw/zinc/09/97/91/553099791.db2.gz UAVGPVNANRRQEJ-MLGOLLRUSA-N 1 2 393.285 2.622 10 0 GFAELO Cc1nc(C[C@H]2CCC[N@H+]([C@@H](C(N)=O)c3ccc(Br)cc3)C2)no1 ZINC000245920822 553099793 /nfs/dbraw/zinc/09/97/93/553099793.db2.gz UAVGPVNANRRQEJ-MLGOLLRUSA-N 1 2 393.285 2.622 10 0 GFAELO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000246373751 553106930 /nfs/dbraw/zinc/10/69/30/553106930.db2.gz HOUQRBORTXGFQU-XNJGSVPQSA-N 1 2 386.323 2.973 10 0 GFAELO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246464187 553108070 /nfs/dbraw/zinc/10/80/70/553108070.db2.gz NPODOVBSXMNSEQ-PBFPGSCMSA-N 1 2 386.323 2.973 10 0 GFAELO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246464187 553108074 /nfs/dbraw/zinc/10/80/74/553108074.db2.gz NPODOVBSXMNSEQ-PBFPGSCMSA-N 1 2 386.323 2.973 10 0 GFAELO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246464187 553108076 /nfs/dbraw/zinc/10/80/76/553108076.db2.gz NPODOVBSXMNSEQ-PBFPGSCMSA-N 1 2 386.323 2.973 10 0 GFAELO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)C[C@H]1[NH+]1CCOCC1 ZINC000247015752 553117384 /nfs/dbraw/zinc/11/73/84/553117384.db2.gz OUNAYPZDHQNIHO-BVPBIZIASA-N 1 2 393.325 2.732 10 0 GFAELO CC[C@H](Cc1ccccc1Br)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000134284026 654989202 /nfs/dbraw/zinc/98/92/02/654989202.db2.gz UTMYAYRPYSYBNJ-NVXWUHKLSA-N 1 2 395.341 2.951 10 0 GFAELO Cn1cc(C[N@@H+]2CCCN(C(=O)CSc3ccccc3Cl)CC2)cn1 ZINC000109659187 655150150 /nfs/dbraw/zinc/15/01/50/655150150.db2.gz DXWMTIIBWSYURG-UHFFFAOYSA-N 1 2 378.929 2.900 10 0 GFAELO Cn1cc(C[N@H+]2CCCN(C(=O)CSc3ccccc3Cl)CC2)cn1 ZINC000109659187 655150152 /nfs/dbraw/zinc/15/01/52/655150152.db2.gz DXWMTIIBWSYURG-UHFFFAOYSA-N 1 2 378.929 2.900 10 0 GFAELO Cc1ncc(C[NH+]2CCN(Cn3nc(N4CCCC4)sc3=S)CC2)s1 ZINC000111165232 655165831 /nfs/dbraw/zinc/16/58/31/655165831.db2.gz LMLVTUADNMJIRL-UHFFFAOYSA-N 1 2 396.611 2.815 10 0 GFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(Br)cs2)nc[nH+]1 ZINC000173441291 655172818 /nfs/dbraw/zinc/17/28/18/655172818.db2.gz NWACWTPLYYDQHH-LLVKDONJSA-N 1 2 396.314 2.741 10 0 GFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(Br)cs2)[nH+]cn1 ZINC000173441291 655172820 /nfs/dbraw/zinc/17/28/20/655172820.db2.gz NWACWTPLYYDQHH-LLVKDONJSA-N 1 2 396.314 2.741 10 0 GFAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000117521867 655265433 /nfs/dbraw/zinc/26/54/33/655265433.db2.gz CDZMZNOTLUFRDH-LBPRGKRZSA-N 1 2 388.295 2.501 10 0 GFAELO CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000117521867 655265439 /nfs/dbraw/zinc/26/54/39/655265439.db2.gz CDZMZNOTLUFRDH-LBPRGKRZSA-N 1 2 388.295 2.501 10 0 GFAELO O=S(=O)(/C=C/c1ccc(Br)cc1)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000328639226 655386986 /nfs/dbraw/zinc/38/69/86/655386986.db2.gz WTLHTYNCMHHUNX-XYYIANASSA-N 1 2 396.310 2.798 10 0 GFAELO O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000194385514 655415439 /nfs/dbraw/zinc/41/54/39/655415439.db2.gz CXDXCYYSESJMPO-GDBMZVCRSA-N 1 2 376.254 2.640 10 0 GFAELO COc1ccc(Cl)cc1CN(Cc1cn2c([nH+]1)CCCC2)S(C)(=O)=O ZINC000328626555 212086813 /nfs/dbraw/zinc/08/68/13/212086813.db2.gz LVQDZVFFXIZHBM-UHFFFAOYSA-N 1 2 383.901 2.843 10 0 GFAELO CC(=O)Nc1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000065281799 222121067 /nfs/dbraw/zinc/12/10/67/222121067.db2.gz ZIIRXUWNVFBIHS-FQEVSTJZSA-N 1 2 387.505 2.631 10 0 GFAELO CC(=O)Nc1ccc(S(=O)(=O)N2CC[N@H+](C)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000065281799 222121071 /nfs/dbraw/zinc/12/10/71/222121071.db2.gz ZIIRXUWNVFBIHS-FQEVSTJZSA-N 1 2 387.505 2.631 10 0 GFAELO CC(C)[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000072121759 222207361 /nfs/dbraw/zinc/20/73/61/222207361.db2.gz LKYSRXKYNABWNG-LJQANCHMSA-N 1 2 386.471 2.698 10 0 GFAELO O=C1CC[C@]2(CCCN(c3[nH+]c4ccccc4n3CCO)C2)CN1CC1CC1 ZINC000077358799 222278911 /nfs/dbraw/zinc/27/89/11/222278911.db2.gz JTTDSQCDHHQBOQ-QFIPXVFZSA-N 1 2 382.508 2.648 10 0 GFAELO O=C(Nc1cc(F)c(Br)cc1F)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000121928195 551292436 /nfs/dbraw/zinc/29/24/36/551292436.db2.gz NPJUYTVPKARKTK-JTQLQIEISA-N 1 2 390.228 2.666 10 0 GFAELO O=C(CCCc1ccccc1Br)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000123144253 551303589 /nfs/dbraw/zinc/30/35/89/551303589.db2.gz MQUXFWHADLCKGQ-INIZCTEOSA-N 1 2 381.314 2.705 10 0 GFAELO COc1ccc(Cl)cc1CNC(=O)C[S@@](=O)Cc1[nH+]ccn1C(C)C ZINC000131251747 551373237 /nfs/dbraw/zinc/37/32/37/551373237.db2.gz ZFICPTORYJRMDJ-RUZDIDTESA-N 1 2 383.901 2.691 10 0 GFAELO COc1ccc(Cl)cc1CNC(=O)C[S@](=O)Cc1[nH+]ccn1C(C)C ZINC000131251536 551373552 /nfs/dbraw/zinc/37/35/52/551373552.db2.gz ZFICPTORYJRMDJ-VWLOTQADSA-N 1 2 383.901 2.691 10 0 GFAELO CC(C)n1cc[nH+]c1C[S@](=O)CC(=O)NCCOc1cccc(Cl)c1 ZINC000131253102 551373621 /nfs/dbraw/zinc/37/36/21/551373621.db2.gz GWZNSQWPZBRXQS-RUZDIDTESA-N 1 2 383.901 2.561 10 0 GFAELO O=C(C[N@@H+]1CC[C@@H](Oc2cccnc2)C1)Nc1ccc(Br)cc1 ZINC000152581235 551435776 /nfs/dbraw/zinc/43/57/76/551435776.db2.gz QDHFXLHJFVCQET-MRXNPFEDSA-N 1 2 376.254 2.936 10 0 GFAELO O=C(C[N@H+]1CC[C@@H](Oc2cccnc2)C1)Nc1ccc(Br)cc1 ZINC000152581235 551435779 /nfs/dbraw/zinc/43/57/79/551435779.db2.gz QDHFXLHJFVCQET-MRXNPFEDSA-N 1 2 376.254 2.936 10 0 GFAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1sc2cc(Cl)ccc2c1Cl ZINC000176438666 552140389 /nfs/dbraw/zinc/14/03/89/552140389.db2.gz OXARENOLVGYSKJ-NSHDSACASA-N 1 2 389.304 2.631 10 0 GFAELO C[C@@H](N1CC[NH+](C[C@@H](O)COCc2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000178268141 552167888 /nfs/dbraw/zinc/16/78/88/552167888.db2.gz PJSQCPNQXYVGAC-CZUORRHYSA-N 1 2 380.838 2.786 10 0 GFAELO Cc1ncc(C[NH+]2CCN(C(=O)C[C@H](O)c3ccc(Cl)cc3)CC2)s1 ZINC000179836313 552204534 /nfs/dbraw/zinc/20/45/34/552204534.db2.gz CEUVASSZEQBHIR-KRWDZBQOSA-N 1 2 379.913 2.873 10 0 GFAELO O=C(Nc1cc(F)c(Br)c(F)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000182496836 552285470 /nfs/dbraw/zinc/28/54/70/552285470.db2.gz QXVUVMIQZGWDIU-LLVKDONJSA-N 1 2 390.228 2.666 10 0 GFAELO Cc1nc(C[N@H+]2CCCN(C(=O)NC[C@@H](C)c3nccs3)CC2)cs1 ZINC000184230926 552330700 /nfs/dbraw/zinc/33/07/00/552330700.db2.gz ILAUDMPIJJUPQT-CYBMUJFWSA-N 1 2 379.555 2.929 10 0 GFAELO Cc1nc(C[N@@H+]2CCCN(C(=O)NC[C@@H](C)c3nccs3)CC2)cs1 ZINC000184230926 552330701 /nfs/dbraw/zinc/33/07/01/552330701.db2.gz ILAUDMPIJJUPQT-CYBMUJFWSA-N 1 2 379.555 2.929 10 0 GFAELO O=C(NCC[NH+]1CCOCC1)[C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000184780713 552344136 /nfs/dbraw/zinc/34/41/36/552344136.db2.gz KYUJWCFPQHAUNK-NVXWUHKLSA-N 1 2 387.307 2.910 10 0 GFAELO C[N@@H+]1CCO[C@@H](CNC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)C1 ZINC000189158216 552464507 /nfs/dbraw/zinc/46/45/07/552464507.db2.gz YAUYMOUAHLNARB-LBPRGKRZSA-N 1 2 376.806 2.837 10 0 GFAELO C[N@H+]1CCO[C@@H](CNC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)C1 ZINC000189158216 552464508 /nfs/dbraw/zinc/46/45/08/552464508.db2.gz YAUYMOUAHLNARB-LBPRGKRZSA-N 1 2 376.806 2.837 10 0 GFAELO C[C@@H]1C(=O)NCCC[N@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000189271712 552467511 /nfs/dbraw/zinc/46/75/11/552467511.db2.gz PDTXWHUXZBFKJB-GFCCVEGCSA-N 1 2 375.270 2.617 10 0 GFAELO C[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000189271712 552467514 /nfs/dbraw/zinc/46/75/14/552467514.db2.gz PDTXWHUXZBFKJB-GFCCVEGCSA-N 1 2 375.270 2.617 10 0 GFAELO CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(F)(F)CN2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000263281097 553185354 /nfs/dbraw/zinc/18/53/54/553185354.db2.gz UGEGBLOHIHQVBC-SOUVJXGZSA-N 1 2 375.822 2.728 10 0 GFAELO CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(F)(F)CN2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000263281097 553185355 /nfs/dbraw/zinc/18/53/55/553185355.db2.gz UGEGBLOHIHQVBC-SOUVJXGZSA-N 1 2 375.822 2.728 10 0 GFAELO OC[C@@H]1CCCN1c1cc(NCc2ccc(F)cc2Br)[nH+]cn1 ZINC000301222276 563396344 /nfs/dbraw/zinc/39/63/44/563396344.db2.gz BDOXZDQZCFNOQP-ZDUSSCGKSA-N 1 2 381.249 2.951 10 0 GFAELO OC[C@@H]1CCCN1c1cc(NCc2ccc(F)cc2Br)nc[nH+]1 ZINC000301222276 563396348 /nfs/dbraw/zinc/39/63/48/563396348.db2.gz BDOXZDQZCFNOQP-ZDUSSCGKSA-N 1 2 381.249 2.951 10 0 GFAELO CN(C)c1ccc(N[C@@H]2CCCN(C(=O)[C@H]3CSCCS3)CC2)c[nH+]1 ZINC000328633732 563461439 /nfs/dbraw/zinc/46/14/39/563461439.db2.gz MGBQDXDFERSSGN-GDBMZVCRSA-N 1 2 380.583 2.789 10 0 GFAELO O=C(c1cn2ccccc2n1)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000275403507 570692300 /nfs/dbraw/zinc/69/23/00/570692300.db2.gz BESCKIDJVVKKJM-MRXNPFEDSA-N 1 2 377.448 2.623 10 0 GFAELO C[C@H](CNC(=O)NCC(C)(C)c1cccc(Br)c1)[NH+]1CCOCC1 ZINC000101980891 655049426 /nfs/dbraw/zinc/04/94/26/655049426.db2.gz WTOILPKYXFNJSH-CQSZACIVSA-N 1 2 398.345 2.747 10 0 GFAELO Cc1c(Br)c2ccccc2n1CC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000108214840 655129630 /nfs/dbraw/zinc/12/96/30/655129630.db2.gz XOPUBPUVPDVYGH-ZDUSSCGKSA-N 1 2 394.313 2.549 10 0 GFAELO O=C(c1coc(Br)c1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000109644970 655149549 /nfs/dbraw/zinc/14/95/49/655149549.db2.gz PQHACEVLIDXWGI-OAHLLOKOSA-N 1 2 379.254 2.534 10 0 GFAELO COc1cc(Br)c(CN2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cc1OC ZINC000177270922 655272048 /nfs/dbraw/zinc/27/20/48/655272048.db2.gz ZLKJHFHBKHFLRS-CJNGLKHVSA-N 1 2 399.329 2.619 10 0 GFAELO COc1ccc(Br)cc1C[NH2+]C1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263509126 655452309 /nfs/dbraw/zinc/45/23/09/655452309.db2.gz MWJBFSNARVRAGT-UHFFFAOYSA-N 1 2 397.313 2.875 10 0 GFAELO COc1ccc(Br)cc1C[NH2+]C1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263509126 655452310 /nfs/dbraw/zinc/45/23/10/655452310.db2.gz MWJBFSNARVRAGT-UHFFFAOYSA-N 1 2 397.313 2.875 10 0 GFAELO Cn1c[nH+]cc1[C@@H]1C[C@H](NS(=O)(=O)/C=C\c2ccccc2Cl)CCO1 ZINC000886085709 663102959 /nfs/dbraw/zinc/10/29/59/663102959.db2.gz LDJKOPWESWEDBH-LOJACCTISA-N 1 2 381.885 2.884 10 0 GFAELO CC(C)(C)OC(=O)NC1C[NH+]([C@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000039952024 205044869 /nfs/dbraw/zinc/04/48/69/205044869.db2.gz OEMDZXNJFWSZPI-SFHVURJKSA-N 1 2 389.496 2.997 10 0 GFAELO COc1cccc(C(=O)Nc2c[nH+]c(N3CCCCC3)nc2N(C)C)c1OC ZINC000224355200 136206952 /nfs/dbraw/zinc/20/69/52/136206952.db2.gz QLASWLDHIDLAOS-UHFFFAOYSA-N 1 2 385.468 2.802 10 0 GFAELO COc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)c3cncs3)C2)CC1 ZINC000064015413 537071515 /nfs/dbraw/zinc/07/15/15/537071515.db2.gz ORHLXSSKECEKTE-INIZCTEOSA-N 1 2 386.521 2.579 10 0 GFAELO C[C@H](CCc1ccc(Br)cc1)NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000054648478 551169892 /nfs/dbraw/zinc/16/98/92/551169892.db2.gz BUCNXRNOYGWAGJ-HUUCEWRRSA-N 1 2 398.345 2.790 10 0 GFAELO CC[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)CC[N@@H+]1CCOC ZINC000117371888 551213919 /nfs/dbraw/zinc/21/39/19/551213919.db2.gz OFKRIIRIGVJVDM-GFCCVEGCSA-N 1 2 381.325 2.725 10 0 GFAELO CC[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)CC[N@H+]1CCOC ZINC000117371888 551213921 /nfs/dbraw/zinc/21/39/21/551213921.db2.gz OFKRIIRIGVJVDM-GFCCVEGCSA-N 1 2 381.325 2.725 10 0 GFAELO Cc1ncc(C[NH+]2CCN(C(=O)Nc3cccnc3Br)CC2)s1 ZINC000119598786 551218062 /nfs/dbraw/zinc/21/80/62/551218062.db2.gz NZBIESMTZHAXMA-UHFFFAOYSA-N 1 2 396.314 2.959 10 0 GFAELO Cc1cc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c(C)cc1Br ZINC000157991791 551545492 /nfs/dbraw/zinc/54/54/92/551545492.db2.gz DFNQODXLMVGAQR-PBHICJAKSA-N 1 2 381.314 2.859 10 0 GFAELO C[C@@H]1CN(C(=O)c2ccc(Br)cc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000173850690 552094344 /nfs/dbraw/zinc/09/43/44/552094344.db2.gz ATFQFFYNEHFXLV-IAQYHMDHSA-N 1 2 387.705 2.895 10 0 GFAELO CCCCOC[C@H](O)C[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000193370003 552991672 /nfs/dbraw/zinc/99/16/72/552991672.db2.gz KXLGPBHANLJDIR-QGZVFWFLSA-N 1 2 389.323 2.929 10 0 GFAELO CCCCOC[C@@H](O)C[NH+]1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000193372675 552991796 /nfs/dbraw/zinc/99/17/96/552991796.db2.gz OOGABEQPEOWEJV-AWEZNQCLSA-N 1 2 389.323 2.929 10 0 GFAELO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000246064348 553101412 /nfs/dbraw/zinc/10/14/12/553101412.db2.gz ASEDZEPEEDXIRG-UKRRQHHQSA-N 1 2 399.310 2.719 10 0 GFAELO O[C@@H](COc1ccc(Br)cc1)C[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000246064348 553101416 /nfs/dbraw/zinc/10/14/16/553101416.db2.gz ASEDZEPEEDXIRG-UKRRQHHQSA-N 1 2 399.310 2.719 10 0 GFAELO O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000249769285 553145996 /nfs/dbraw/zinc/14/59/96/553145996.db2.gz RUUAESFETUNVQZ-NSHDSACASA-N 1 2 380.844 2.800 10 0 GFAELO O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000249769285 553145999 /nfs/dbraw/zinc/14/59/99/553145999.db2.gz RUUAESFETUNVQZ-NSHDSACASA-N 1 2 380.844 2.800 10 0 GFAELO C[N@H+](CC(=O)[O-])[C@H]1CCC[NH+](Cc2cc(Br)cc3c2OCC3)CC1 ZINC000263530661 553189027 /nfs/dbraw/zinc/18/90/27/553189027.db2.gz WJIPCSSEZICXJH-INIZCTEOSA-N 1 2 397.313 2.755 10 0 GFAELO C[N@@H+](CC(=O)[O-])[C@H]1CCC[NH+](Cc2cc(Br)cc3c2OCC3)CC1 ZINC000263530661 553189028 /nfs/dbraw/zinc/18/90/28/553189028.db2.gz WJIPCSSEZICXJH-INIZCTEOSA-N 1 2 397.313 2.755 10 0 GFAELO C[NH+](CC(=O)[O-])[C@H]1CCC[N@H+](Cc2cc(Br)cc3c2OCC3)CC1 ZINC000263530661 553189030 /nfs/dbraw/zinc/18/90/30/553189030.db2.gz WJIPCSSEZICXJH-INIZCTEOSA-N 1 2 397.313 2.755 10 0 GFAELO C[NH+](CC(=O)[O-])[C@H]1CCC[N@@H+](Cc2cc(Br)cc3c2OCC3)CC1 ZINC000263530661 553189031 /nfs/dbraw/zinc/18/90/31/553189031.db2.gz WJIPCSSEZICXJH-INIZCTEOSA-N 1 2 397.313 2.755 10 0 GFAELO Cc1cc(S(=O)(=O)NC[C@H]2CCn3cc[nH+]c3C2)sc1Br ZINC000328625912 563461577 /nfs/dbraw/zinc/46/15/77/563461577.db2.gz LCZDHKDELMZCPT-JTQLQIEISA-N 1 2 390.328 2.556 10 0 GFAELO CC[C@@H](Cc1ccccc1Br)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000131925521 654922081 /nfs/dbraw/zinc/92/20/81/654922081.db2.gz UPABAGZSILPSDG-CABCVRRESA-N 1 2 383.330 2.855 10 0 GFAELO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c(Br)c1 ZINC000106175585 655104433 /nfs/dbraw/zinc/10/44/33/655104433.db2.gz HVGNZEOYFSCVDV-AWEZNQCLSA-N 1 2 392.301 2.700 10 0 GFAELO Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](Cn3cncn3)C2)c(Br)c1 ZINC000106175585 655104435 /nfs/dbraw/zinc/10/44/35/655104435.db2.gz HVGNZEOYFSCVDV-AWEZNQCLSA-N 1 2 392.301 2.700 10 0 GFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2sccc2Br)nc[nH+]1 ZINC000173440623 655172406 /nfs/dbraw/zinc/17/24/06/655172406.db2.gz XAPKATOJYKTAHG-SNVBAGLBSA-N 1 2 396.314 2.741 10 0 GFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2sccc2Br)[nH+]cn1 ZINC000173440623 655172408 /nfs/dbraw/zinc/17/24/08/655172408.db2.gz XAPKATOJYKTAHG-SNVBAGLBSA-N 1 2 396.314 2.741 10 0 GFAELO C[C@@H](CNC(=O)CCc1cc(Cl)ccc1Br)[NH+]1CCOCC1 ZINC000175977956 655230820 /nfs/dbraw/zinc/23/08/20/655230820.db2.gz ZVQYOFUOKGBWOS-LBPRGKRZSA-N 1 2 389.721 2.872 10 0 GFAELO C[C@@H]1C[N@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)CCS1 ZINC000246100538 655429067 /nfs/dbraw/zinc/42/90/67/655429067.db2.gz HXGBMZRGYFOEJL-BZNIZROVSA-N 1 2 398.326 2.611 10 0 GFAELO C[C@@H]1C[N@@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)CCS1 ZINC000246100538 655429070 /nfs/dbraw/zinc/42/90/70/655429070.db2.gz HXGBMZRGYFOEJL-BZNIZROVSA-N 1 2 398.326 2.611 10 0 GFAELO Cc1cccc(C)c1NC(=O)C[NH+]1CCC2(CC1)N=C(c1ccccc1)C(=O)N2 ZINC000009526708 204314385 /nfs/dbraw/zinc/31/43/85/204314385.db2.gz OCSKBAYVEMQIBR-UHFFFAOYSA-N 1 2 390.487 2.653 10 0 GFAELO COc1cccc(OCc2cc(C(=O)NCc3c[nH+]c4ccccn34)no2)c1 ZINC000011664131 204350361 /nfs/dbraw/zinc/35/03/61/204350361.db2.gz YBOICPGKCRXOKJ-UHFFFAOYSA-N 1 2 378.388 2.840 10 0 GFAELO Cc1ccc(CN2C[C@H]3C[N@H+](Cc4ccc5c(c4)OCCO5)CCN3C2=O)cc1 ZINC000096269153 206120519 /nfs/dbraw/zinc/12/05/19/206120519.db2.gz HODVRERDPHACLU-HXUWFJFHSA-N 1 2 393.487 2.888 10 0 GFAELO Cc1ccc(CN2C[C@H]3C[N@@H+](Cc4ccc5c(c4)OCCO5)CCN3C2=O)cc1 ZINC000096269153 206120525 /nfs/dbraw/zinc/12/05/25/206120525.db2.gz HODVRERDPHACLU-HXUWFJFHSA-N 1 2 393.487 2.888 10 0 GFAELO CC(C)(C)OC[C@H](O)C[NH+]1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000048004004 551155407 /nfs/dbraw/zinc/15/54/07/551155407.db2.gz NMIJTRZAJAPTGC-CYBMUJFWSA-N 1 2 389.323 2.927 10 0 GFAELO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(I)cc2)CCS1 ZINC000171702678 551661370 /nfs/dbraw/zinc/66/13/70/551661370.db2.gz CIEUYJAVKYAOLW-SNVBAGLBSA-N 1 2 376.263 2.667 10 0 GFAELO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(I)cc2)CCS1 ZINC000171702678 551661373 /nfs/dbraw/zinc/66/13/73/551661373.db2.gz CIEUYJAVKYAOLW-SNVBAGLBSA-N 1 2 376.263 2.667 10 0 GFAELO CC[C@H]1CN(C(=O)c2cc3sc(N(C)C)nc3s2)CC[N@@H+]1CCOC ZINC000172229239 551673903 /nfs/dbraw/zinc/67/39/03/551673903.db2.gz UIDDBXDHBKTZMQ-LBPRGKRZSA-N 1 2 382.555 2.607 10 0 GFAELO CC[C@H]1CN(C(=O)c2cc3sc(N(C)C)nc3s2)CC[N@H+]1CCOC ZINC000172229239 551673905 /nfs/dbraw/zinc/67/39/05/551673905.db2.gz UIDDBXDHBKTZMQ-LBPRGKRZSA-N 1 2 382.555 2.607 10 0 GFAELO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000173809437 552092738 /nfs/dbraw/zinc/09/27/38/552092738.db2.gz OUNAYPZDHQNIHO-PILAGYSTSA-N 1 2 393.325 2.732 10 0 GFAELO C[C@H]1CN(C(=O)C(C)(C)c2ccc(Br)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000173843411 552093918 /nfs/dbraw/zinc/09/39/18/552093918.db2.gz QUKLTNHKKSXYBQ-WMLDXEAASA-N 1 2 395.341 2.906 10 0 GFAELO COC[C@H](C)NC(=O)NC(=O)C[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000179537888 552195751 /nfs/dbraw/zinc/19/57/51/552195751.db2.gz PFDSOGCVYJHHGH-DTWKUNHWSA-N 1 2 380.247 2.644 10 0 GFAELO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000186757768 552396861 /nfs/dbraw/zinc/39/68/61/552396861.db2.gz OCNDDUMVHAPJNE-CQSZACIVSA-N 1 2 382.917 2.637 10 0 GFAELO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000186757768 552396864 /nfs/dbraw/zinc/39/68/64/552396864.db2.gz OCNDDUMVHAPJNE-CQSZACIVSA-N 1 2 382.917 2.637 10 0 GFAELO Cc1ccc([C@@H](CNC(=O)N2CCSCC[C@H]2C)[NH+]2CCOCC2)s1 ZINC000189444270 552472160 /nfs/dbraw/zinc/47/21/60/552472160.db2.gz HUYZMCXBUKRCBM-GDBMZVCRSA-N 1 2 383.583 2.967 10 0 GFAELO C[C@H](c1ccccc1Br)N(C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000195056860 553036814 /nfs/dbraw/zinc/03/68/14/553036814.db2.gz VONLXRMHSQWWRH-UONOGXRCSA-N 1 2 384.318 2.872 10 0 GFAELO COc1cc(Br)c(CN2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cc1OC ZINC000246631339 553110770 /nfs/dbraw/zinc/11/07/70/553110770.db2.gz ZLKJHFHBKHFLRS-CZUORRHYSA-N 1 2 399.329 2.619 10 0 GFAELO COc1cc(Cl)c(S(=O)(=O)NC[C@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000328626918 563461593 /nfs/dbraw/zinc/46/15/93/563461593.db2.gz MELYMSMRYDTHHJ-JTQLQIEISA-N 1 2 390.292 2.739 10 0 GFAELO O=S(=O)(N[C@@H]1CCC[C@@H]1n1cc[nH+]c1)c1ccc(Br)s1 ZINC000042435234 654639906 /nfs/dbraw/zinc/63/99/06/654639906.db2.gz TZWCXCFWSWWNNK-ZJUUUORDSA-N 1 2 376.301 2.779 10 0 GFAELO CCOCC[N@@H+]1CCN(C(=O)c2cc(OC)c(Br)s2)C[C@H]1C ZINC000135095154 655009477 /nfs/dbraw/zinc/00/94/77/655009477.db2.gz XTXHCONOGJHVTE-LLVKDONJSA-N 1 2 391.331 2.702 10 0 GFAELO CCOCC[N@H+]1CCN(C(=O)c2cc(OC)c(Br)s2)C[C@H]1C ZINC000135095154 655009479 /nfs/dbraw/zinc/00/94/79/655009479.db2.gz XTXHCONOGJHVTE-LLVKDONJSA-N 1 2 391.331 2.702 10 0 GFAELO CCOc1ccc(Br)cc1NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000102801721 655061286 /nfs/dbraw/zinc/06/12/86/655061286.db2.gz MJRDTPNXDQKMJW-LBPRGKRZSA-N 1 2 386.290 2.690 10 0 GFAELO COc1ccc(Br)cc1C[N@@H+]1CCCN(Cc2noc(C)n2)CC1 ZINC000106148247 655104040 /nfs/dbraw/zinc/10/40/40/655104040.db2.gz NVRPEZQMXXFFRI-UHFFFAOYSA-N 1 2 395.301 2.857 10 0 GFAELO COc1ccc(Br)cc1C[N@H+]1CCCN(Cc2noc(C)n2)CC1 ZINC000106148247 655104041 /nfs/dbraw/zinc/10/40/41/655104041.db2.gz NVRPEZQMXXFFRI-UHFFFAOYSA-N 1 2 395.301 2.857 10 0 GFAELO O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000173733029 655178375 /nfs/dbraw/zinc/17/83/75/655178375.db2.gz CZNMMQGVHGTYMB-GFCCVEGCSA-N 1 2 375.372 2.635 10 0 GFAELO COCC[N@@H+]1CCN(C(=O)[C@H](C)Sc2nc3ccccc3s2)C[C@H]1C ZINC000245756876 655428518 /nfs/dbraw/zinc/42/85/18/655428518.db2.gz YOJSPCMGQCEXGB-KGLIPLIRSA-N 1 2 379.551 2.956 10 0 GFAELO COCC[N@H+]1CCN(C(=O)[C@H](C)Sc2nc3ccccc3s2)C[C@H]1C ZINC000245756876 655428522 /nfs/dbraw/zinc/42/85/22/655428522.db2.gz YOJSPCMGQCEXGB-KGLIPLIRSA-N 1 2 379.551 2.956 10 0 GFAELO O=C1CC[C@@]2(CCCN(c3[nH+]c4ccccc4n3CCO)C2)CN1CC1CC1 ZINC000077358806 205360835 /nfs/dbraw/zinc/36/08/35/205360835.db2.gz JTTDSQCDHHQBOQ-JOCHJYFZSA-N 1 2 382.508 2.648 10 0 GFAELO Cc1ccsc1C(=O)N1CC[C@H]2[C@H](CCC(=O)N2CCCn2cc[nH+]c2)C1 ZINC000012124370 221155344 /nfs/dbraw/zinc/15/53/44/221155344.db2.gz BZNLEADSPZXVKJ-SJORKVTESA-N 1 2 386.521 2.796 10 0 GFAELO O[C@H]1Cc2ccccc2C12CC[NH+](Cc1cccc(N3CCOCC3)c1)CC2 ZINC000072157929 136167107 /nfs/dbraw/zinc/16/71/07/136167107.db2.gz MGCGTZPXQDFTOG-QHCPKHFHSA-N 1 2 378.516 2.974 10 0 GFAELO COC(=O)[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000120989085 551224369 /nfs/dbraw/zinc/22/43/69/551224369.db2.gz RWNVIQUHJMKRIK-BBRMVZONSA-N 1 2 378.270 2.886 10 0 GFAELO COC(=O)[C@H](c1cccc(Br)c1)[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000120989085 551224371 /nfs/dbraw/zinc/22/43/71/551224371.db2.gz RWNVIQUHJMKRIK-BBRMVZONSA-N 1 2 378.270 2.886 10 0 GFAELO Cc1sc(Br)cc1S(=O)(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000122398339 551297797 /nfs/dbraw/zinc/29/77/97/551297797.db2.gz CRGRFRMSXMEJSL-LLVKDONJSA-N 1 2 379.345 2.678 10 0 GFAELO Cc1sc(Br)cc1S(=O)(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000122398339 551297798 /nfs/dbraw/zinc/29/77/98/551297798.db2.gz CRGRFRMSXMEJSL-LLVKDONJSA-N 1 2 379.345 2.678 10 0 GFAELO C[C@@H](NC(=O)c1cc(S(C)(=O)=O)cs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000154613254 551479602 /nfs/dbraw/zinc/47/96/02/551479602.db2.gz SKHQATCSUDOFDH-GFCCVEGCSA-N 1 2 375.475 2.828 10 0 GFAELO NC(=O)[C@H](c1cccc(Br)c1)N1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000159136680 551561545 /nfs/dbraw/zinc/56/15/45/551561545.db2.gz BCMHORCHXLTLKJ-DYVFJYSZSA-N 1 2 389.297 2.805 10 0 GFAELO C[C@@H]1CN(C(=O)c2[nH]c3ccccc3c2Br)C[C@@H]1[NH+]1CCOCC1 ZINC000173395852 552085168 /nfs/dbraw/zinc/08/51/68/552085168.db2.gz RCZMTWQMHASMFI-DOMZBBRYSA-N 1 2 392.297 2.723 10 0 GFAELO CC(C)n1nnnc1CN1CC[NH+]([C@H](C)c2ccc(Br)cc2)CC1 ZINC000173855112 552094915 /nfs/dbraw/zinc/09/49/15/552094915.db2.gz LNKNLZKFBSRKHY-CQSZACIVSA-N 1 2 393.333 2.895 10 0 GFAELO C[C@@H]([NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl)C(=O)N(C)CC(=O)NC1CC1 ZINC000173976455 552096201 /nfs/dbraw/zinc/09/62/01/552096201.db2.gz SKTVOZMMZLGZFL-VHSXEESVSA-N 1 2 390.286 2.909 10 0 GFAELO C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000175950994 552132931 /nfs/dbraw/zinc/13/29/31/552132931.db2.gz WAPIRWALFBIPLR-OCCSQVGLSA-N 1 2 379.913 2.816 10 0 GFAELO C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000175950994 552132934 /nfs/dbraw/zinc/13/29/34/552132934.db2.gz WAPIRWALFBIPLR-OCCSQVGLSA-N 1 2 379.913 2.816 10 0 GFAELO O=C(c1cc(Br)c2c(c1)OCCO2)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177773715 552158850 /nfs/dbraw/zinc/15/88/50/552158850.db2.gz ORZPQGOXETVQLI-CYBMUJFWSA-N 1 2 392.253 2.722 10 0 GFAELO COc1sc(CN2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cc1Br ZINC000180227204 552218727 /nfs/dbraw/zinc/21/87/27/552218727.db2.gz IIPDNCWFGHYWHU-FZMZJTMJSA-N 1 2 375.332 2.672 10 0 GFAELO COC(=O)[C@H](c1cccc(Cl)c1Cl)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000183602265 552314438 /nfs/dbraw/zinc/31/44/38/552314438.db2.gz KJDDLMGHDJYFKW-PVUWLOKVSA-N 1 2 387.307 2.860 10 0 GFAELO Cc1cc(Br)c2c(c1)CN(C(=O)NC[C@H](C)[NH+]1CCOCC1)CC2 ZINC000186165781 552380732 /nfs/dbraw/zinc/38/07/32/552380732.db2.gz YBMAKMFSGWULPX-AWEZNQCLSA-N 1 2 396.329 2.546 10 0 GFAELO CC(C)[C@@](C)(NC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccc(Br)cc1 ZINC000188634224 552450809 /nfs/dbraw/zinc/45/08/09/552450809.db2.gz VHXIOEQBSOLIBO-SJLPKXTDSA-N 1 2 398.345 2.950 10 0 GFAELO CC(C)[C@@](C)(NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccc(Br)cc1 ZINC000188634224 552450812 /nfs/dbraw/zinc/45/08/12/552450812.db2.gz VHXIOEQBSOLIBO-SJLPKXTDSA-N 1 2 398.345 2.950 10 0 GFAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](C[C@@H](O)c2ccccc2Br)C1 ZINC000189352689 552469195 /nfs/dbraw/zinc/46/91/95/552469195.db2.gz ABOUUFXRRWEIQC-NILFDRSVSA-N 1 2 382.258 2.636 10 0 GFAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](C[C@@H](O)c2ccccc2Br)C1 ZINC000189352689 552469198 /nfs/dbraw/zinc/46/91/98/552469198.db2.gz ABOUUFXRRWEIQC-NILFDRSVSA-N 1 2 382.258 2.636 10 0 GFAELO Cc1ccc(Br)c(NC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000190750478 552508119 /nfs/dbraw/zinc/50/81/19/552508119.db2.gz OVNOHJJNIZHGOW-CYBMUJFWSA-N 1 2 391.269 2.584 10 0 GFAELO Cc1csc(C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)c1Br ZINC000190925307 552514105 /nfs/dbraw/zinc/51/41/05/552514105.db2.gz XXOFNRBVCZWHLI-UHFFFAOYSA-N 1 2 397.342 2.901 10 0 GFAELO Cc1csc(C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)c1Br ZINC000190925307 552514107 /nfs/dbraw/zinc/51/41/07/552514107.db2.gz XXOFNRBVCZWHLI-UHFFFAOYSA-N 1 2 397.342 2.901 10 0 GFAELO O=C(Nc1cc2c(cc1Br)CCC2)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000192463791 552564648 /nfs/dbraw/zinc/56/46/48/552564648.db2.gz MYAOHQBNGZWKHG-HNNXBMFYSA-N 1 2 394.313 2.876 10 0 GFAELO O[C@H](COc1cccc(Br)c1)C[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000193692766 553000266 /nfs/dbraw/zinc/00/02/66/553000266.db2.gz VSEUFGPQDKDPEC-ZFWWWQNUSA-N 1 2 380.286 2.792 10 0 GFAELO O[C@H](COc1cccc(Br)c1)C[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000193692766 553000268 /nfs/dbraw/zinc/00/02/68/553000268.db2.gz VSEUFGPQDKDPEC-ZFWWWQNUSA-N 1 2 380.286 2.792 10 0 GFAELO Cc1csc(CNC(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)n1 ZINC000247098862 553118875 /nfs/dbraw/zinc/11/88/75/553118875.db2.gz WDILXLCAOZPAAB-KBPBESRZSA-N 1 2 380.539 2.774 10 0 GFAELO Cc1csc(CNC(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)n1 ZINC000247098862 553118878 /nfs/dbraw/zinc/11/88/78/553118878.db2.gz WDILXLCAOZPAAB-KBPBESRZSA-N 1 2 380.539 2.774 10 0 GFAELO CCOC(=O)[C@H](C)[N@H+](C[C@@H](O)COc1cccc(Br)c1)C1CC1 ZINC000249490665 553143842 /nfs/dbraw/zinc/14/38/42/553143842.db2.gz VFXZEWHYSFJGNC-SWLSCSKDSA-N 1 2 386.286 2.605 10 0 GFAELO CCOC(=O)[C@H](C)[N@@H+](C[C@@H](O)COc1cccc(Br)c1)C1CC1 ZINC000249490665 553143843 /nfs/dbraw/zinc/14/38/43/553143843.db2.gz VFXZEWHYSFJGNC-SWLSCSKDSA-N 1 2 386.286 2.605 10 0 GFAELO OC[C@@H]1CCCN1c1cc(NCCc2ccc(F)c(Br)c2)[nH+]cn1 ZINC000301230509 563397074 /nfs/dbraw/zinc/39/70/74/563397074.db2.gz HGYLKPFNSWVFSB-ZDUSSCGKSA-N 1 2 395.276 2.994 10 0 GFAELO OC[C@@H]1CCCN1c1cc(NCCc2ccc(F)c(Br)c2)nc[nH+]1 ZINC000301230509 563397076 /nfs/dbraw/zinc/39/70/76/563397076.db2.gz HGYLKPFNSWVFSB-ZDUSSCGKSA-N 1 2 395.276 2.994 10 0 GFAELO Cn1nc(Br)c2c1nc[nH+]c2N[C@@H](CO)c1ccc(Cl)cc1 ZINC000301953703 563416553 /nfs/dbraw/zinc/41/65/53/563416553.db2.gz IHYIEWXBVTWEOS-JTQLQIEISA-N 1 2 382.649 2.925 10 0 GFAELO COc1cccc([C@H](c2c(O)[nH]c(=S)[nH]c2=O)[NH+]2CCC(C)CC2)c1OC ZINC000085958794 570699185 /nfs/dbraw/zinc/69/91/85/570699185.db2.gz UDQMDXVEYORRJM-OAHLLOKOSA-N 1 2 391.493 2.977 10 0 GFAELO C[C@H]1CN(C(=O)c2cc(Cl)cc(Br)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000132904136 654948904 /nfs/dbraw/zinc/94/89/04/654948904.db2.gz ZSXZIGSGQDAOBZ-NHYWBVRUSA-N 1 2 387.705 2.895 10 0 GFAELO C[C@@H]1C[N@H+](CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)CCS1 ZINC000171606137 655152635 /nfs/dbraw/zinc/15/26/35/655152635.db2.gz HXGBMZRGYFOEJL-BDJLRTHQSA-N 1 2 398.326 2.611 10 0 GFAELO C[C@@H]1C[N@@H+](CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)CCS1 ZINC000171606137 655152638 /nfs/dbraw/zinc/15/26/38/655152638.db2.gz HXGBMZRGYFOEJL-BDJLRTHQSA-N 1 2 398.326 2.611 10 0 GFAELO Cc1ncc(C[NH+]2CCN(Cn3nc4n(c3=S)CCCCC4)CC2)s1 ZINC000111165170 655165822 /nfs/dbraw/zinc/16/58/22/655165822.db2.gz GWCLMYBKHMUBKR-UHFFFAOYSA-N 1 2 378.571 2.681 10 0 GFAELO FC(F)Oc1ccc(Br)cc1CN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173905856 655184702 /nfs/dbraw/zinc/18/47/02/655184702.db2.gz PETXRHHDTUZFLH-AWEZNQCLSA-N 1 2 391.256 2.957 10 0 GFAELO CC[N@H+](CC(=O)[O-])C1CC([NH2+]Cc2cc(Br)c(OC)s2)C1 ZINC000263535175 655452490 /nfs/dbraw/zinc/45/24/90/655452490.db2.gz YUBDNIBFOBFFCZ-UHFFFAOYSA-N 1 2 377.304 2.546 10 0 GFAELO CC[N@@H+](CC(=O)[O-])C1CC([NH2+]Cc2cc(Br)c(OC)s2)C1 ZINC000263535175 655452493 /nfs/dbraw/zinc/45/24/93/655452493.db2.gz YUBDNIBFOBFFCZ-UHFFFAOYSA-N 1 2 377.304 2.546 10 0 GFAELO COC(=O)[C@@H]1C[C@H](NC(=O)c2[nH]c3ccc(Cl)cc3c2C)C[N@@H+]1C(C)C ZINC000055108191 205143891 /nfs/dbraw/zinc/14/38/91/205143891.db2.gz MCKJHYWHAZVKIR-BBRMVZONSA-N 1 2 377.872 2.884 10 0 GFAELO COC(=O)[C@@H]1C[C@H](NC(=O)c2[nH]c3ccc(Cl)cc3c2C)C[N@H+]1C(C)C ZINC000055108191 205143895 /nfs/dbraw/zinc/14/38/95/205143895.db2.gz MCKJHYWHAZVKIR-BBRMVZONSA-N 1 2 377.872 2.884 10 0 GFAELO O=C(CC[C@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1)NCc1cccnc1 ZINC000065245173 136161402 /nfs/dbraw/zinc/16/14/02/136161402.db2.gz QHYLLJHBOSHNFB-MRXNPFEDSA-N 1 2 380.496 2.759 10 0 GFAELO O=C(CC[C@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1)NCc1cccnc1 ZINC000065245173 136161403 /nfs/dbraw/zinc/16/14/03/136161403.db2.gz QHYLLJHBOSHNFB-MRXNPFEDSA-N 1 2 380.496 2.759 10 0 GFAELO C[C@@H](CNC(=O)CCCc1ccc(Br)s1)[NH+]1CCOCC1 ZINC000121711519 551240327 /nfs/dbraw/zinc/24/03/27/551240327.db2.gz HOLKEKGBMPIDGV-LBPRGKRZSA-N 1 2 375.332 2.670 10 0 GFAELO CC(C)n1nnnc1CN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153285775 551449512 /nfs/dbraw/zinc/44/95/12/551449512.db2.gz KBRUWUJNKSBCAE-UHFFFAOYSA-N 1 2 383.327 2.921 10 0 GFAELO Cc1cc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c(C)cc1Br ZINC000157991651 551545721 /nfs/dbraw/zinc/54/57/21/551545721.db2.gz DFNQODXLMVGAQR-YOEHRIQHSA-N 1 2 381.314 2.859 10 0 GFAELO CC(C)n1cc(Br)cc1C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000173887978 552095248 /nfs/dbraw/zinc/09/52/48/552095248.db2.gz MDOOZIKUBCBLQZ-CJNGLKHVSA-N 1 2 384.318 2.624 10 0 GFAELO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)c1cc(Br)c[nH]1 ZINC000176540140 552140903 /nfs/dbraw/zinc/14/09/03/552140903.db2.gz MROOBIRCEJGKFU-AWEZNQCLSA-N 1 2 398.326 2.984 10 0 GFAELO Cc1ccc([C@@H](CNC(=O)c2cc(Br)c[nH]2)[NH+]2CCOCC2)s1 ZINC000176569967 552141775 /nfs/dbraw/zinc/14/17/75/552141775.db2.gz DAYRZZCNBJMZCA-CQSZACIVSA-N 1 2 398.326 2.950 10 0 GFAELO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186273379 552383233 /nfs/dbraw/zinc/38/32/33/552383233.db2.gz HNVDVSGAVPNAQI-WBMJQRKESA-N 1 2 398.326 2.741 10 0 GFAELO COC(=O)C[C@H](NC(=O)CCc1c[nH+]cn1C)c1cccc(Br)c1 ZINC000188733486 552453987 /nfs/dbraw/zinc/45/39/87/552453987.db2.gz CQIBOMOFZRBDLO-HNNXBMFYSA-N 1 2 394.269 2.536 10 0 GFAELO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCc3sccc3[C@H]2c2cccs2)C1 ZINC000246904031 553115208 /nfs/dbraw/zinc/11/52/08/553115208.db2.gz VIYUYURPCFPFMG-GUYCJALGSA-N 1 2 377.535 2.797 10 0 GFAELO C[N@H+]1CCO[C@@H](CNC(=O)N2CCc3sccc3[C@H]2c2cccs2)C1 ZINC000246904031 553115210 /nfs/dbraw/zinc/11/52/10/553115210.db2.gz VIYUYURPCFPFMG-GUYCJALGSA-N 1 2 377.535 2.797 10 0 GFAELO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000246967971 553116523 /nfs/dbraw/zinc/11/65/23/553116523.db2.gz QATNMDIVUDZEFW-IPYPFGDCSA-N 1 2 387.307 2.940 10 0 GFAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)NCCc2nccs2)c2cccs2)CCO1 ZINC000247105715 553119121 /nfs/dbraw/zinc/11/91/21/553119121.db2.gz WMFNDRGFUANECZ-ZIAGYGMSSA-N 1 2 380.539 2.508 10 0 GFAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)NCCc2nccs2)c2cccs2)CCO1 ZINC000247105715 553119125 /nfs/dbraw/zinc/11/91/25/553119125.db2.gz WMFNDRGFUANECZ-ZIAGYGMSSA-N 1 2 380.539 2.508 10 0 GFAELO C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)s2)C[C@@H]1[NH+]1CCOCC1 ZINC000302531028 563426287 /nfs/dbraw/zinc/42/62/87/563426287.db2.gz QHCHSSSCIKAZNV-BBRMVZONSA-N 1 2 378.929 2.939 10 0 GFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(Br)cc2)nc[nH+]1 ZINC000173407701 655170404 /nfs/dbraw/zinc/17/04/04/655170404.db2.gz DCNJRTDQULMXDO-CQSZACIVSA-N 1 2 390.285 2.680 10 0 GFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(Br)cc2)[nH+]cn1 ZINC000173407701 655170407 /nfs/dbraw/zinc/17/04/07/655170407.db2.gz DCNJRTDQULMXDO-CQSZACIVSA-N 1 2 390.285 2.680 10 0 GFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(Cl)c(Cl)n2C)nc[nH+]1 ZINC000173425877 655171459 /nfs/dbraw/zinc/17/14/59/655171459.db2.gz BEMISNGYHABIAQ-SNVBAGLBSA-N 1 2 383.283 2.562 10 0 GFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(Cl)c(Cl)n2C)[nH+]cn1 ZINC000173425877 655171461 /nfs/dbraw/zinc/17/14/61/655171461.db2.gz BEMISNGYHABIAQ-SNVBAGLBSA-N 1 2 383.283 2.562 10 0 GFAELO Cc1cc(CCC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)ccc1Br ZINC000176186818 655238901 /nfs/dbraw/zinc/23/89/01/655238901.db2.gz YJFGQJFGHQIVEQ-INIZCTEOSA-N 1 2 381.314 2.623 10 0 GFAELO COc1cc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc(OC)c1Br ZINC000177810595 655289004 /nfs/dbraw/zinc/28/90/04/655289004.db2.gz KJFLHCBQHKXLAW-CYBMUJFWSA-N 1 2 394.269 2.968 10 0 GFAELO C[C@@H](C(=O)NCC(C)(C)n1cc[nH+]c1)N1C(=S)N=NC1c1cccs1 ZINC000912616582 664295055 /nfs/dbraw/zinc/29/50/55/664295055.db2.gz KGQPOXAETGUMJV-NSHDSACASA-N 1 2 376.511 2.604 10 0 GFAELO C[C@@H]1C[N@H+](CC(=O)NCc2nc(-c3ccccc3)no2)Cc2ccccc2O1 ZINC000012080001 204369870 /nfs/dbraw/zinc/36/98/70/204369870.db2.gz SULXGESGOPNFJA-OAHLLOKOSA-N 1 2 378.432 2.636 10 0 GFAELO C[C@@H]1C[N@@H+](CC(=O)NCc2nc(-c3ccccc3)no2)Cc2ccccc2O1 ZINC000012080001 204369874 /nfs/dbraw/zinc/36/98/74/204369874.db2.gz SULXGESGOPNFJA-OAHLLOKOSA-N 1 2 378.432 2.636 10 0 GFAELO O=C(CCC1CCN(C(=O)Cn2cc[nH+]c2-c2ccccc2)CC1)NC1CC1 ZINC000019113475 204626339 /nfs/dbraw/zinc/62/63/39/204626339.db2.gz JIVBMHUSWRYFKF-UHFFFAOYSA-N 1 2 380.492 2.848 10 0 GFAELO COc1cccc(C(=O)N2CCC3(CC2)[NH2+][C@@H](CC(C)C)C(=O)N3C2CC2)c1 ZINC000036032609 205002370 /nfs/dbraw/zinc/00/23/70/205002370.db2.gz ODJNTWHFPUBDBV-IBGZPJMESA-N 1 2 385.508 2.636 10 0 GFAELO COc1cc(NC(=O)Nc2c[nH+]c(N3CCCC3)nc2N(C)C)cc(OC)c1 ZINC000224142139 206013676 /nfs/dbraw/zinc/01/36/76/206013676.db2.gz IRNLDICNQALJBV-UHFFFAOYSA-N 1 2 386.456 2.804 10 0 GFAELO CN(C)c1nc(N2CCCC2)[nH+]cc1NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000224143599 206014754 /nfs/dbraw/zinc/01/47/54/206014754.db2.gz POTZDVNVNBYILZ-UHFFFAOYSA-N 1 2 384.440 2.558 10 0 GFAELO CC[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)CC[N@@H+]1CCOC ZINC000117371891 551213957 /nfs/dbraw/zinc/21/39/57/551213957.db2.gz OFKRIIRIGVJVDM-LBPRGKRZSA-N 1 2 381.325 2.725 10 0 GFAELO CC[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)CC[N@H+]1CCOC ZINC000117371891 551213960 /nfs/dbraw/zinc/21/39/60/551213960.db2.gz OFKRIIRIGVJVDM-LBPRGKRZSA-N 1 2 381.325 2.725 10 0 GFAELO C[C@H]1CN(Cc2cc(Br)cc3c2OCC3)C[C@@H]1[NH+]1CCOCC1 ZINC000154009985 551465493 /nfs/dbraw/zinc/46/54/93/551465493.db2.gz QWGRQYYYPIYDKE-GUYCJALGSA-N 1 2 381.314 2.537 10 0 GFAELO C[C@@H](NS(=O)(=O)c1cc(Cl)cnc1N)c1cccc(-n2cc[nH+]c2)c1 ZINC000155118348 551491951 /nfs/dbraw/zinc/49/19/51/551491951.db2.gz XZYWPZYPDOQAAA-LLVKDONJSA-N 1 2 377.857 2.542 10 0 GFAELO C[C@@H]1CN(C(=O)C(C)(C)c2ccc(Br)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000173843376 552093684 /nfs/dbraw/zinc/09/36/84/552093684.db2.gz QUKLTNHKKSXYBQ-PBHICJAKSA-N 1 2 395.341 2.906 10 0 GFAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1sc2cc(Cl)ccc2c1Cl ZINC000176438680 552140425 /nfs/dbraw/zinc/14/04/25/552140425.db2.gz OXARENOLVGYSKJ-LLVKDONJSA-N 1 2 389.304 2.631 10 0 GFAELO Cc1noc(Cl)c1CC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000176545433 552141005 /nfs/dbraw/zinc/14/10/05/552141005.db2.gz CLYVGNPEHJHLBI-AWEZNQCLSA-N 1 2 383.901 2.772 10 0 GFAELO Cc1ccc([C@H](CNC(=O)c2cc(Br)c[nH]2)[NH+]2CCOCC2)s1 ZINC000176569985 552142040 /nfs/dbraw/zinc/14/20/40/552142040.db2.gz DAYRZZCNBJMZCA-AWEZNQCLSA-N 1 2 398.326 2.950 10 0 GFAELO CCn1c(C)nnc1C[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000180464239 552226786 /nfs/dbraw/zinc/22/67/86/552226786.db2.gz LSXLNEQEUVASNZ-JTQLQIEISA-N 1 2 381.274 2.991 10 0 GFAELO Cc1cnn(C[C@H]2C[N@H+](CCOc3cc(F)cc(Br)c3)CCO2)c1 ZINC000188962588 552459717 /nfs/dbraw/zinc/45/97/17/552459717.db2.gz WVDDYBBMZVBTSZ-QGZVFWFLSA-N 1 2 398.276 2.873 10 0 GFAELO Cc1cnn(C[C@H]2C[N@@H+](CCOc3cc(F)cc(Br)c3)CCO2)c1 ZINC000188962588 552459719 /nfs/dbraw/zinc/45/97/19/552459719.db2.gz WVDDYBBMZVBTSZ-QGZVFWFLSA-N 1 2 398.276 2.873 10 0 GFAELO O=C1[C@@H]([N@@H+]2CC[C@H](N3CCOCC3)C2)CCN1c1ccc(Cl)cc1Cl ZINC000190603494 552502796 /nfs/dbraw/zinc/50/27/96/552502796.db2.gz FLSKVZOUUKPXIR-YOEHRIQHSA-N 1 2 384.307 2.505 10 0 GFAELO O=C1[C@@H]([N@H+]2CC[C@H](N3CCOCC3)C2)CCN1c1ccc(Cl)cc1Cl ZINC000190603494 552502798 /nfs/dbraw/zinc/50/27/98/552502798.db2.gz FLSKVZOUUKPXIR-YOEHRIQHSA-N 1 2 384.307 2.505 10 0 GFAELO O=C1[C@@H](N2CC[C@H]([NH+]3CCOCC3)C2)CCN1c1ccc(Cl)cc1Cl ZINC000190603494 552502800 /nfs/dbraw/zinc/50/28/00/552502800.db2.gz FLSKVZOUUKPXIR-YOEHRIQHSA-N 1 2 384.307 2.505 10 0 GFAELO Cn1c(C[S@@](=O)Cc2cn3cc(Br)ccc3[nH+]2)nnc1C1CC1 ZINC000194268414 553015966 /nfs/dbraw/zinc/01/59/66/553015966.db2.gz IQUSXVXRWPGUPK-QHCPKHFHSA-N 1 2 394.298 2.552 10 0 GFAELO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000246836699 553114537 /nfs/dbraw/zinc/11/45/37/553114537.db2.gz DEZWYISSUBIRHI-IGCXYCKISA-N 1 2 387.307 2.940 10 0 GFAELO C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCO[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000248543514 553130591 /nfs/dbraw/zinc/13/05/91/553130591.db2.gz CMJRMBOVHJEZPB-KMFMINBZSA-N 1 2 387.307 2.908 10 0 GFAELO C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCO[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000248543514 553130593 /nfs/dbraw/zinc/13/05/93/553130593.db2.gz CMJRMBOVHJEZPB-KMFMINBZSA-N 1 2 387.307 2.908 10 0 GFAELO COc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)CC(=O)[O-])CC2)c(Br)c1 ZINC000263492319 553188671 /nfs/dbraw/zinc/18/86/71/553188671.db2.gz IVNRAFMGNJOOAN-AWEZNQCLSA-N 1 2 385.302 2.829 10 0 GFAELO COc1ccc(C[N@H+]2CCC[C@H]([NH+](C)CC(=O)[O-])CC2)c(Br)c1 ZINC000263492319 553188672 /nfs/dbraw/zinc/18/86/72/553188672.db2.gz IVNRAFMGNJOOAN-AWEZNQCLSA-N 1 2 385.302 2.829 10 0 GFAELO COc1ccc(C[NH+]2CCC[C@H]([N@H+](C)CC(=O)[O-])CC2)c(Br)c1 ZINC000263492319 553188674 /nfs/dbraw/zinc/18/86/74/553188674.db2.gz IVNRAFMGNJOOAN-AWEZNQCLSA-N 1 2 385.302 2.829 10 0 GFAELO COc1ccc(C[NH+]2CCC[C@H]([N@@H+](C)CC(=O)[O-])CC2)c(Br)c1 ZINC000263492319 553188675 /nfs/dbraw/zinc/18/86/75/553188675.db2.gz IVNRAFMGNJOOAN-AWEZNQCLSA-N 1 2 385.302 2.829 10 0 GFAELO CCOC(=O)N1CCC[C@H]([C@H](C)Nc2nc(NC)c(Br)c[nH+]2)C1 ZINC000302538169 563425919 /nfs/dbraw/zinc/42/59/19/563425919.db2.gz NCLPKPTVCHYOFY-QWRGUYRKSA-N 1 2 386.294 2.950 10 0 GFAELO CC(C)(C)N=C1Nc2ccccc2C[NH2+][C@@]12CCN(C(=O)c1ccncc1)C2 ZINC000065265941 570894884 /nfs/dbraw/zinc/89/48/84/570894884.db2.gz BCJSWMNIJKLADF-JOCHJYFZSA-N 1 2 377.492 2.888 10 0 GFAELO NC(=O)[C@H](c1ccc(Br)cc1)N1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000104681743 655084074 /nfs/dbraw/zinc/08/40/74/655084074.db2.gz XRXYUUSAIPETOS-GUYCJALGSA-N 1 2 389.297 2.805 10 0 GFAELO Cn1cc(C[N@@H+]2CCCN(C(=O)c3cc(Br)ccc3F)CC2)cn1 ZINC000109658882 655149878 /nfs/dbraw/zinc/14/98/78/655149878.db2.gz NLBQCFUNSGHRGN-UHFFFAOYSA-N 1 2 395.276 2.670 10 0 GFAELO Cn1cc(C[N@H+]2CCCN(C(=O)c3cc(Br)ccc3F)CC2)cn1 ZINC000109658882 655149879 /nfs/dbraw/zinc/14/98/79/655149879.db2.gz NLBQCFUNSGHRGN-UHFFFAOYSA-N 1 2 395.276 2.670 10 0 GFAELO C[C@H]1C[N@H+](CN2C(=O)C[C@@](C)(c3ccc(Br)cc3)C2=O)CCS1 ZINC000171604952 655152571 /nfs/dbraw/zinc/15/25/71/655152571.db2.gz DMRBTSVWNTWGBS-SJCJKPOMSA-N 1 2 397.338 2.861 10 0 GFAELO C[C@H]1C[N@@H+](CN2C(=O)C[C@@](C)(c3ccc(Br)cc3)C2=O)CCS1 ZINC000171604952 655152572 /nfs/dbraw/zinc/15/25/72/655152572.db2.gz DMRBTSVWNTWGBS-SJCJKPOMSA-N 1 2 397.338 2.861 10 0 GFAELO O=C(N[C@H]1CCSc2ccc(Cl)cc21)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173793321 655181478 /nfs/dbraw/zinc/18/14/78/655181478.db2.gz XYFJPFMEUYMPGP-HOCLYGCPSA-N 1 2 381.929 2.993 10 0 GFAELO O=C(C[NH+]1CCC2(CC1)N=C(c1ccc(Cl)cc1)C(=O)N2)Nc1ccccc1 ZINC000009526834 204313422 /nfs/dbraw/zinc/31/34/22/204313422.db2.gz FZIBNEXALOVUMS-UHFFFAOYSA-N 1 2 396.878 2.690 10 0 GFAELO Cc1cc(NC(=O)c2cc(N3C(=O)[C@H](C)CS3(=O)=O)ccc2Cl)cc[nH+]1 ZINC000012207329 204383697 /nfs/dbraw/zinc/38/36/97/204383697.db2.gz WLDAMOZDZIYXLW-SNVBAGLBSA-N 1 2 393.852 2.608 10 0 GFAELO COc1cc2nc(NCCCN(C)C(=O)c3ccccc3)[nH+]c(N)c2cc1OC ZINC000033853878 204967847 /nfs/dbraw/zinc/96/78/47/204967847.db2.gz PDKUMHZLABSFTR-UHFFFAOYSA-N 1 2 395.463 2.803 10 0 GFAELO Cc1nc(Nc2ccc(Br)cn2)sc1C(=O)N1CC[NH+](C)CC1 ZINC000065306331 205227929 /nfs/dbraw/zinc/22/79/29/205227929.db2.gz LPNHTJUVFMJUKC-UHFFFAOYSA-N 1 2 396.314 2.740 10 0 GFAELO O=C(C[N@@H+]1CC[C@H](Oc2cccnc2)C1)Nc1ccc(Br)cc1 ZINC000152581327 551436065 /nfs/dbraw/zinc/43/60/65/551436065.db2.gz QDHFXLHJFVCQET-INIZCTEOSA-N 1 2 376.254 2.936 10 0 GFAELO O=C(C[N@H+]1CC[C@H](Oc2cccnc2)C1)Nc1ccc(Br)cc1 ZINC000152581327 551436067 /nfs/dbraw/zinc/43/60/67/551436067.db2.gz QDHFXLHJFVCQET-INIZCTEOSA-N 1 2 376.254 2.936 10 0 GFAELO CCn1cc[nH+]c1CS(=O)(=O)CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000156256969 551518437 /nfs/dbraw/zinc/51/84/37/551518437.db2.gz IKDNXOAWMVWFDV-ZDUSSCGKSA-N 1 2 383.901 2.691 10 0 GFAELO Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c(C)cc1Br ZINC000157991493 551545717 /nfs/dbraw/zinc/54/57/17/551545717.db2.gz DFNQODXLMVGAQR-RHSMWYFYSA-N 1 2 381.314 2.859 10 0 GFAELO C[N@@H+]1CCO[C@H](CNC(=O)C2(c3cccc(Br)c3)CCCC2)C1 ZINC000171143910 551648342 /nfs/dbraw/zinc/64/83/42/551648342.db2.gz UIRJKAZKYLQFOR-MRXNPFEDSA-N 1 2 381.314 2.708 10 0 GFAELO C[N@H+]1CCO[C@H](CNC(=O)C2(c3cccc(Br)c3)CCCC2)C1 ZINC000171143910 551648344 /nfs/dbraw/zinc/64/83/44/551648344.db2.gz UIRJKAZKYLQFOR-MRXNPFEDSA-N 1 2 381.314 2.708 10 0 GFAELO CCc1nc(CC(=O)N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)cs1 ZINC000176540837 552140741 /nfs/dbraw/zinc/14/07/41/552140741.db2.gz WLTPVHCTKHHCKG-HNNXBMFYSA-N 1 2 379.551 2.841 10 0 GFAELO Cc1nc(CN2CCC[N@H+](Cc3cc(O)ccc3Br)CC2)no1 ZINC000179212923 552187410 /nfs/dbraw/zinc/18/74/10/552187410.db2.gz OTCGCOARYZKDQY-UHFFFAOYSA-N 1 2 381.274 2.554 10 0 GFAELO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+][C@H](C)c2c(Cl)ccc(F)c2Cl)C1 ZINC000179540384 552196044 /nfs/dbraw/zinc/19/60/44/552196044.db2.gz GEQMOAOACNWTMF-ZYHUDNBSSA-N 1 2 390.286 2.910 10 0 GFAELO COc1ccc(Br)cc1-c1nc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)cs1 ZINC000185141794 552355351 /nfs/dbraw/zinc/35/53/51/552355351.db2.gz CRUGMETYZSKLDO-CHWSQXEVSA-N 1 2 399.310 2.509 10 0 GFAELO COc1ccc(Br)cc1-c1nc(C[N@H+]2C[C@H](O)C[C@@H]2CO)cs1 ZINC000185141794 552355353 /nfs/dbraw/zinc/35/53/53/552355353.db2.gz CRUGMETYZSKLDO-CHWSQXEVSA-N 1 2 399.310 2.509 10 0 GFAELO COCCN1CC[N@H+](CCOc2cc(F)cc(Br)c2)C[C@@H]1C ZINC000188956382 552459152 /nfs/dbraw/zinc/45/91/52/552459152.db2.gz DMIKURMLCGCYKP-ZDUSSCGKSA-N 1 2 375.282 2.620 10 0 GFAELO COCCN1CC[N@@H+](CCOc2cc(F)cc(Br)c2)C[C@@H]1C ZINC000188956382 552459154 /nfs/dbraw/zinc/45/91/54/552459154.db2.gz DMIKURMLCGCYKP-ZDUSSCGKSA-N 1 2 375.282 2.620 10 0 GFAELO CCOc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1Br ZINC000189491457 552473239 /nfs/dbraw/zinc/47/32/39/552473239.db2.gz CLUUMYZUIGTDIF-CQSZACIVSA-N 1 2 398.301 2.786 10 0 GFAELO O=C(c1csc(Cl)c1)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000191693264 552534665 /nfs/dbraw/zinc/53/46/65/552534665.db2.gz LJDFTJMEZNDJNN-HNNXBMFYSA-N 1 2 380.897 2.599 10 0 GFAELO Cc1ccc([C@@H](CNC(=O)N2CCSC[C@@H](C)C2)[NH+]2CCOCC2)s1 ZINC000192385606 552561466 /nfs/dbraw/zinc/56/14/66/552561466.db2.gz PEZRHYRVRXXFDX-GOEBONIOSA-N 1 2 383.583 2.824 10 0 GFAELO CCCCOC[C@H](O)C[NH+]1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000193373910 552991730 /nfs/dbraw/zinc/99/17/30/552991730.db2.gz PRGPFHJOEWTAEB-CQSZACIVSA-N 1 2 389.323 2.929 10 0 GFAELO O=S(=O)(c1cc(Br)c(F)cc1F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245855666 553098538 /nfs/dbraw/zinc/09/85/38/553098538.db2.gz OPNHKOMORIIPQA-JTQLQIEISA-N 1 2 395.269 2.586 10 0 GFAELO O=S(=O)(c1cc(Br)c(F)cc1F)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000245855666 553098541 /nfs/dbraw/zinc/09/85/41/553098541.db2.gz OPNHKOMORIIPQA-JTQLQIEISA-N 1 2 395.269 2.586 10 0 GFAELO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@H]1CC(F)(F)CN1 ZINC000262957338 553179529 /nfs/dbraw/zinc/17/95/29/553179529.db2.gz KHWWPESLEFFNMI-KGLIPLIRSA-N 1 2 375.822 2.729 10 0 GFAELO COc1c(Br)cccc1C[N@@H+]1CCC[C@H]([NH+](C)CC(=O)[O-])CC1 ZINC000263486022 553188750 /nfs/dbraw/zinc/18/87/50/553188750.db2.gz HKTJCYZXALBMDO-AWEZNQCLSA-N 1 2 385.302 2.829 10 0 GFAELO COc1c(Br)cccc1C[N@H+]1CCC[C@H]([NH+](C)CC(=O)[O-])CC1 ZINC000263486022 553188751 /nfs/dbraw/zinc/18/87/51/553188751.db2.gz HKTJCYZXALBMDO-AWEZNQCLSA-N 1 2 385.302 2.829 10 0 GFAELO COc1c(Br)cccc1C[NH+]1CCC[C@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000263486022 553188752 /nfs/dbraw/zinc/18/87/52/553188752.db2.gz HKTJCYZXALBMDO-AWEZNQCLSA-N 1 2 385.302 2.829 10 0 GFAELO COc1c(Br)cccc1C[NH+]1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000263486022 553188754 /nfs/dbraw/zinc/18/87/54/553188754.db2.gz HKTJCYZXALBMDO-AWEZNQCLSA-N 1 2 385.302 2.829 10 0 GFAELO CNc1nc(N2CCC(O)(Cc3cccc(F)c3)CC2)[nH+]cc1Br ZINC000302531383 563426077 /nfs/dbraw/zinc/42/60/77/563426077.db2.gz LHVXICOQLCFDBQ-UHFFFAOYSA-N 1 2 395.276 2.994 10 0 GFAELO C[C@H](CNC(=O)NC1(c2cccc(Br)c2)CCC1)[NH+]1CCOCC1 ZINC000103304986 655070807 /nfs/dbraw/zinc/07/08/07/655070807.db2.gz ASUVAWOVDKIIOI-CQSZACIVSA-N 1 2 396.329 2.848 10 0 GFAELO C[C@H]1CN(C(=O)c2cc3cc(Br)ccc3o2)C[C@H]1[NH+]1CCOCC1 ZINC000173406432 655170439 /nfs/dbraw/zinc/17/04/39/655170439.db2.gz WRHAUSXOTLAABF-SWLSCSKDSA-N 1 2 393.281 2.988 10 0 GFAELO O=C(N[C@@H]1CCSc2ccc(Cl)cc21)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173793309 655181490 /nfs/dbraw/zinc/18/14/90/655181490.db2.gz XYFJPFMEUYMPGP-GOEBONIOSA-N 1 2 381.929 2.993 10 0 GFAELO COc1cc(OC)cc(C(=O)Nc2c[nH+]c(N3CCCCC3)nc2N(C)C)c1 ZINC000224355271 136206795 /nfs/dbraw/zinc/20/67/95/136206795.db2.gz RKZORTPXCIHOLJ-UHFFFAOYSA-N 1 2 385.468 2.802 10 0 GFAELO CC(=O)N[C@H]1CCC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000067377456 551188163 /nfs/dbraw/zinc/18/81/63/551188163.db2.gz WTFAGYRRVMFBAF-HNNXBMFYSA-N 1 2 393.285 2.523 10 0 GFAELO CC(=O)N[C@H]1CCC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000067377456 551188166 /nfs/dbraw/zinc/18/81/66/551188166.db2.gz WTFAGYRRVMFBAF-HNNXBMFYSA-N 1 2 393.285 2.523 10 0 GFAELO CC(C)n1cc[nH+]c1C[S@@](=O)CC(=O)NCCOc1cccc(Cl)c1 ZINC000131252888 551373579 /nfs/dbraw/zinc/37/35/79/551373579.db2.gz GWZNSQWPZBRXQS-VWLOTQADSA-N 1 2 383.901 2.561 10 0 GFAELO CCOc1cc(C[N@@H+]2CCC[C@H](NC(C)=O)C2)cc(Br)c1OC ZINC000153886269 551462669 /nfs/dbraw/zinc/46/26/69/551462669.db2.gz NPKQOHQRGOYGQS-AWEZNQCLSA-N 1 2 385.302 2.957 10 0 GFAELO CCOc1cc(C[N@H+]2CCC[C@H](NC(C)=O)C2)cc(Br)c1OC ZINC000153886269 551462670 /nfs/dbraw/zinc/46/26/70/551462670.db2.gz NPKQOHQRGOYGQS-AWEZNQCLSA-N 1 2 385.302 2.957 10 0 GFAELO C[C@@H]1CN(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)CCS1 ZINC000156564667 551524929 /nfs/dbraw/zinc/52/49/29/551524929.db2.gz OVJOHRWQDXYDJE-XOKHGSTOSA-N 1 2 383.945 2.859 10 0 GFAELO C[C@@H]1CN(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)CCS1 ZINC000156564667 551524930 /nfs/dbraw/zinc/52/49/30/551524930.db2.gz OVJOHRWQDXYDJE-XOKHGSTOSA-N 1 2 383.945 2.859 10 0 GFAELO O=C(CCCc1ccc(Br)s1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172761041 551686329 /nfs/dbraw/zinc/68/63/29/551686329.db2.gz DGLRRNOHLKLNBA-ZDUSSCGKSA-N 1 2 387.343 2.766 10 0 GFAELO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)C[C@H]1[NH+]1CCOCC1 ZINC000173809467 552092539 /nfs/dbraw/zinc/09/25/39/552092539.db2.gz OUNAYPZDHQNIHO-BNEJOLLZSA-N 1 2 393.325 2.732 10 0 GFAELO C[C@@H]1CN(C(=O)Nc2cc(Br)ccc2F)C[C@@H]1[NH+]1CCOCC1 ZINC000177849630 552159857 /nfs/dbraw/zinc/15/98/57/552159857.db2.gz YNNQAENSHCIWGQ-ABAIWWIYSA-N 1 2 386.265 2.773 10 0 GFAELO CC(C)n1cc[nH+]c1CS(=O)(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000178164990 552165777 /nfs/dbraw/zinc/16/57/77/552165777.db2.gz WMJFHOGBBMHMSA-UHFFFAOYSA-N 1 2 392.449 2.575 10 0 GFAELO C[C@@H](NC(=O)C[NH2+][C@H](C)c1ccccc1Br)C(=O)N1CCCCC1 ZINC000181572617 552261212 /nfs/dbraw/zinc/26/12/12/552261212.db2.gz ARBSYRMRPFLLDJ-ZIAGYGMSSA-N 1 2 396.329 2.617 10 0 GFAELO C[C@@H]([NH2+]Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)s1 ZINC000182994421 552297998 /nfs/dbraw/zinc/29/79/98/552297998.db2.gz AZHPUSJFPSBWAA-SNVBAGLBSA-N 1 2 397.913 2.632 10 0 GFAELO NC(=O)c1coc(C[NH2+][C@H](c2ccc(Br)cc2)c2cncnc2)c1 ZINC000187734292 552423179 /nfs/dbraw/zinc/42/31/79/552423179.db2.gz RHDBIQXVYCFHBO-MRXNPFEDSA-N 1 2 387.237 2.810 10 0 GFAELO O=C(Nc1cc(F)cc(F)c1Br)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000190691229 552506666 /nfs/dbraw/zinc/50/66/66/552506666.db2.gz PKJLHRUWJNFYEK-NSHDSACASA-N 1 2 390.228 2.666 10 0 GFAELO NC(=O)[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000245808608 553097723 /nfs/dbraw/zinc/09/77/23/553097723.db2.gz QMHLDTBHZJHLJO-CVEARBPZSA-N 1 2 376.254 2.524 10 0 GFAELO NC(=O)[C@H](c1cccc(Br)c1)[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000245808608 553097725 /nfs/dbraw/zinc/09/77/25/553097725.db2.gz QMHLDTBHZJHLJO-CVEARBPZSA-N 1 2 376.254 2.524 10 0 GFAELO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246836723 553114061 /nfs/dbraw/zinc/11/40/61/553114061.db2.gz DEZWYISSUBIRHI-IIYDPXPESA-N 1 2 387.307 2.940 10 0 GFAELO COc1ccc(Br)c(C[N@@H+]2CCC[C@H]([NH+](C)CC(=O)[O-])CC2)c1 ZINC000263562135 553189785 /nfs/dbraw/zinc/18/97/85/553189785.db2.gz CNRZRTKRBSDCLX-AWEZNQCLSA-N 1 2 385.302 2.829 10 0 GFAELO COc1ccc(Br)c(C[N@H+]2CCC[C@H]([NH+](C)CC(=O)[O-])CC2)c1 ZINC000263562135 553189788 /nfs/dbraw/zinc/18/97/88/553189788.db2.gz CNRZRTKRBSDCLX-AWEZNQCLSA-N 1 2 385.302 2.829 10 0 GFAELO COc1ccc(Br)c(C[NH+]2CCC[C@H]([N@H+](C)CC(=O)[O-])CC2)c1 ZINC000263562135 553189789 /nfs/dbraw/zinc/18/97/89/553189789.db2.gz CNRZRTKRBSDCLX-AWEZNQCLSA-N 1 2 385.302 2.829 10 0 GFAELO COc1ccc(Br)c(C[NH+]2CCC[C@H]([N@@H+](C)CC(=O)[O-])CC2)c1 ZINC000263562135 553189792 /nfs/dbraw/zinc/18/97/92/553189792.db2.gz CNRZRTKRBSDCLX-AWEZNQCLSA-N 1 2 385.302 2.829 10 0 GFAELO OC[C@H]1CCCN1c1cc(NCc2cc(F)ccc2Br)[nH+]cn1 ZINC000301234899 563397223 /nfs/dbraw/zinc/39/72/23/563397223.db2.gz JWSWZDMZUUHUBO-CYBMUJFWSA-N 1 2 381.249 2.951 10 0 GFAELO OC[C@H]1CCCN1c1cc(NCc2cc(F)ccc2Br)nc[nH+]1 ZINC000301234899 563397225 /nfs/dbraw/zinc/39/72/25/563397225.db2.gz JWSWZDMZUUHUBO-CYBMUJFWSA-N 1 2 381.249 2.951 10 0 GFAELO CNc1nc(NCC2CCN(CC(F)(F)F)CC2)[nH+]cc1Br ZINC000302531407 563426067 /nfs/dbraw/zinc/42/60/67/563426067.db2.gz LJJZQYYKNWGEAM-UHFFFAOYSA-N 1 2 382.228 2.967 10 0 GFAELO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000392906770 563528063 /nfs/dbraw/zinc/52/80/63/563528063.db2.gz XHIQFXHYBYWXGR-RDDDGLTNSA-N 1 2 392.091 2.674 10 0 GFAELO O=C(C[C@H]1C(=O)NCC[N@H+]1Cc1cccs1)N1CCC(c2ccccc2)CC1 ZINC000015072179 570877181 /nfs/dbraw/zinc/87/71/81/570877181.db2.gz SKXDTONSXBQLOB-FQEVSTJZSA-N 1 2 397.544 2.845 10 0 GFAELO O=C(C[C@H]1C(=O)NCC[N@@H+]1Cc1cccs1)N1CCC(c2ccccc2)CC1 ZINC000015072179 570877184 /nfs/dbraw/zinc/87/71/84/570877184.db2.gz SKXDTONSXBQLOB-FQEVSTJZSA-N 1 2 397.544 2.845 10 0 GFAELO Brc1cccc(-c2noc(C[N@@H+]3CCC[C@@H](n4cncn4)C3)n2)c1 ZINC000106219003 655105040 /nfs/dbraw/zinc/10/50/40/655105040.db2.gz DMSBGPDNTRPDFV-CQSZACIVSA-N 1 2 389.257 2.928 10 0 GFAELO Brc1cccc(-c2noc(C[N@H+]3CCC[C@@H](n4cncn4)C3)n2)c1 ZINC000106219003 655105041 /nfs/dbraw/zinc/10/50/41/655105041.db2.gz DMSBGPDNTRPDFV-CQSZACIVSA-N 1 2 389.257 2.928 10 0 GFAELO CC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000117236804 655261891 /nfs/dbraw/zinc/26/18/91/655261891.db2.gz QLQDCXVFLDZGMQ-HOCLYGCPSA-N 1 2 383.330 2.855 10 0 GFAELO O=C(c1cccc(I)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177754242 655287557 /nfs/dbraw/zinc/28/75/57/655287557.db2.gz VYXQYOHNRAEUJO-CQSZACIVSA-N 1 2 381.217 2.793 10 0 GFAELO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)N1CC[C@@](O)(c2ccccc2)C1 ZINC000299776075 206188126 /nfs/dbraw/zinc/18/81/26/206188126.db2.gz MWYUEPCPKUSFFS-QFIPXVFZSA-N 1 2 381.476 2.644 10 0 GFAELO C[C@@H](CCc1ccc(Br)cc1)NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000054648479 551169636 /nfs/dbraw/zinc/16/96/36/551169636.db2.gz BUCNXRNOYGWAGJ-GJZGRUSLSA-N 1 2 398.345 2.790 10 0 GFAELO OC[C@H]1CCCN1c1cc(NCc2cc(F)cc(Br)c2)[nH+]cn1 ZINC000110254752 551203442 /nfs/dbraw/zinc/20/34/42/551203442.db2.gz LMEJSFXUZFXTCE-CQSZACIVSA-N 1 2 381.249 2.951 10 0 GFAELO OC[C@H]1CCCN1c1cc(NCc2cc(F)cc(Br)c2)nc[nH+]1 ZINC000110254752 551203444 /nfs/dbraw/zinc/20/34/44/551203444.db2.gz LMEJSFXUZFXTCE-CQSZACIVSA-N 1 2 381.249 2.951 10 0 GFAELO CCOc1c(Br)cc(C[N@@H+]2CCC[C@H](NC(C)=O)C2)cc1OC ZINC000153832470 551461627 /nfs/dbraw/zinc/46/16/27/551461627.db2.gz QIIVKUCHHJGVPI-AWEZNQCLSA-N 1 2 385.302 2.957 10 0 GFAELO CCOc1c(Br)cc(C[N@H+]2CCC[C@H](NC(C)=O)C2)cc1OC ZINC000153832470 551461630 /nfs/dbraw/zinc/46/16/30/551461630.db2.gz QIIVKUCHHJGVPI-AWEZNQCLSA-N 1 2 385.302 2.957 10 0 GFAELO CCOCC[N@@H+]1CCN(C(=O)c2[nH]nc3ccc(Br)cc32)C[C@H]1C ZINC000172219271 551673789 /nfs/dbraw/zinc/67/37/89/551673789.db2.gz MKZAEJXFYLBCNI-GFCCVEGCSA-N 1 2 395.301 2.508 10 0 GFAELO CCOCC[N@H+]1CCN(C(=O)c2[nH]nc3ccc(Br)cc32)C[C@H]1C ZINC000172219271 551673793 /nfs/dbraw/zinc/67/37/93/551673793.db2.gz MKZAEJXFYLBCNI-GFCCVEGCSA-N 1 2 395.301 2.508 10 0 GFAELO O=C(CCSc1ccc(Br)cc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172743386 551686367 /nfs/dbraw/zinc/68/63/67/551686367.db2.gz FTIIWYBVQIAMRI-HNNXBMFYSA-N 1 2 399.354 2.864 10 0 GFAELO COCc1csc(NC(=O)N2CCC[N@H+](Cc3csc(C)n3)CC2)n1 ZINC000174400440 552103674 /nfs/dbraw/zinc/10/36/74/552103674.db2.gz BEEIHLRWWPZFCQ-UHFFFAOYSA-N 1 2 381.527 2.794 10 0 GFAELO COCc1csc(NC(=O)N2CCC[N@@H+](Cc3csc(C)n3)CC2)n1 ZINC000174400440 552103675 /nfs/dbraw/zinc/10/36/75/552103675.db2.gz BEEIHLRWWPZFCQ-UHFFFAOYSA-N 1 2 381.527 2.794 10 0 GFAELO CCc1nnc(NC(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)s1 ZINC000175086127 552115402 /nfs/dbraw/zinc/11/54/02/552115402.db2.gz AIKBEMIRQPQXKB-VXGBXAGGSA-N 1 2 381.527 2.746 10 0 GFAELO CCc1nnc(NC(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)s1 ZINC000175086127 552115403 /nfs/dbraw/zinc/11/54/03/552115403.db2.gz AIKBEMIRQPQXKB-VXGBXAGGSA-N 1 2 381.527 2.746 10 0 GFAELO CCc1nnc(C[NH2+][C@H](C)c2cc3c(cc2Br)OCCO3)n1C ZINC000180462890 552227032 /nfs/dbraw/zinc/22/70/32/552227032.db2.gz YMTMTYMPZPWUQM-SNVBAGLBSA-N 1 2 381.274 2.762 10 0 GFAELO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246464167 553107583 /nfs/dbraw/zinc/10/75/83/553107583.db2.gz NPODOVBSXMNSEQ-IIYDPXPESA-N 1 2 386.323 2.973 10 0 GFAELO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246464167 553107584 /nfs/dbraw/zinc/10/75/84/553107584.db2.gz NPODOVBSXMNSEQ-IIYDPXPESA-N 1 2 386.323 2.973 10 0 GFAELO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246464167 553107586 /nfs/dbraw/zinc/10/75/86/553107586.db2.gz NPODOVBSXMNSEQ-IIYDPXPESA-N 1 2 386.323 2.973 10 0 GFAELO C[C@H]1C[N@@H+]([C@H](CNC(=O)CSc2ccncc2)c2cccs2)CCO1 ZINC000246996104 553117023 /nfs/dbraw/zinc/11/70/23/553117023.db2.gz QXLRHKDAEIHGFL-GOEBONIOSA-N 1 2 377.535 2.813 10 0 GFAELO C[C@H]1C[N@H+]([C@H](CNC(=O)CSc2ccncc2)c2cccs2)CCO1 ZINC000246996104 553117027 /nfs/dbraw/zinc/11/70/27/553117027.db2.gz QXLRHKDAEIHGFL-GOEBONIOSA-N 1 2 377.535 2.813 10 0 GFAELO Cc1nc(N2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)c(C)c(C)[nH+]1 ZINC000035794745 570449454 /nfs/dbraw/zinc/44/94/54/570449454.db2.gz WHEBNPFMYUTGPJ-RMKNXTFCSA-N 1 2 381.436 2.672 10 0 GFAELO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c(Br)c1 ZINC000106175589 655104496 /nfs/dbraw/zinc/10/44/96/655104496.db2.gz HVGNZEOYFSCVDV-CQSZACIVSA-N 1 2 392.301 2.700 10 0 GFAELO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](Cn3cncn3)C2)c(Br)c1 ZINC000106175589 655104501 /nfs/dbraw/zinc/10/45/01/655104501.db2.gz HVGNZEOYFSCVDV-CQSZACIVSA-N 1 2 392.301 2.700 10 0 GFAELO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000106219441 655105322 /nfs/dbraw/zinc/10/53/22/655105322.db2.gz XTDXDHOWSVCARI-CQSZACIVSA-N 1 2 378.274 2.625 10 0 GFAELO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000106219441 655105325 /nfs/dbraw/zinc/10/53/25/655105325.db2.gz XTDXDHOWSVCARI-CQSZACIVSA-N 1 2 378.274 2.625 10 0 GFAELO Cn1cc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3Br)CC2)cn1 ZINC000109659326 655150203 /nfs/dbraw/zinc/15/02/03/655150203.db2.gz ATUKBCGESNXYRI-UHFFFAOYSA-N 1 2 395.276 2.670 10 0 GFAELO Cn1cc(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3Br)CC2)cn1 ZINC000109659326 655150204 /nfs/dbraw/zinc/15/02/04/655150204.db2.gz ATUKBCGESNXYRI-UHFFFAOYSA-N 1 2 395.276 2.670 10 0 GFAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)C[C@H]1C ZINC000117521665 655265378 /nfs/dbraw/zinc/26/53/78/655265378.db2.gz UXFMEXNQQYFNPV-GFCCVEGCSA-N 1 2 388.295 2.501 10 0 GFAELO CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)C[C@H]1C ZINC000117521665 655265381 /nfs/dbraw/zinc/26/53/81/655265381.db2.gz UXFMEXNQQYFNPV-GFCCVEGCSA-N 1 2 388.295 2.501 10 0 GFAELO Cc1cc(C)n(Cc2c(C)onc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000015736120 207059995 /nfs/dbraw/zinc/05/99/95/207059995.db2.gz VJXKPAWHRHCEHI-UHFFFAOYSA-N 1 2 393.491 2.803 10 0 GFAELO COC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(c2cccc[nH+]2)CC1 ZINC000064438549 136156620 /nfs/dbraw/zinc/15/66/20/136156620.db2.gz OLXAPWSDMZWEDZ-UHFFFAOYSA-N 1 2 377.448 2.755 10 0 GFAELO CCc1cnc(C)nc1N1CCC[C@H](c2cc(N3CCOCC3)nc(C)[nH+]2)C1 ZINC000072436312 136170277 /nfs/dbraw/zinc/17/02/77/136170277.db2.gz KORVJBFVOGFUBE-SFHVURJKSA-N 1 2 382.512 2.666 10 0 GFAELO COc1ccc(C(=O)Nc2c[nH+]c(N3CCCCC3)nc2N(C)C)cc1OC ZINC000224355137 136206835 /nfs/dbraw/zinc/20/68/35/136206835.db2.gz QFQVCUYETHMVKL-UHFFFAOYSA-N 1 2 385.468 2.802 10 0 GFAELO CN(C)c1nc(N2CCOCC2)[nH+]cc1NC(=O)c1ccccc1C(F)(F)F ZINC000224359195 136206875 /nfs/dbraw/zinc/20/68/75/136206875.db2.gz DNWNGDHOAAKCGF-UHFFFAOYSA-N 1 2 395.385 2.650 10 0 GFAELO O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000056058411 551176204 /nfs/dbraw/zinc/17/62/04/551176204.db2.gz RUUAESFETUNVQZ-LLVKDONJSA-N 1 2 380.844 2.800 10 0 GFAELO O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000056058411 551176205 /nfs/dbraw/zinc/17/62/05/551176205.db2.gz RUUAESFETUNVQZ-LLVKDONJSA-N 1 2 380.844 2.800 10 0 GFAELO Cc1cc(C)n(C[C@H]2C[N@H+](C[C@H](O)c3ccccc3Br)CCO2)n1 ZINC000152958980 551443624 /nfs/dbraw/zinc/44/36/24/551443624.db2.gz XRLCSQSHKVKULV-QAPCUYQASA-N 1 2 394.313 2.697 10 0 GFAELO Cc1cc(C)n(C[C@H]2C[N@@H+](C[C@H](O)c3ccccc3Br)CCO2)n1 ZINC000152958980 551443626 /nfs/dbraw/zinc/44/36/26/551443626.db2.gz XRLCSQSHKVKULV-QAPCUYQASA-N 1 2 394.313 2.697 10 0 GFAELO CCc1nnc(NC(=O)NC[C@@H](c2ccc(C)s2)[NH+]2CCOCC2)s1 ZINC000175086156 552115415 /nfs/dbraw/zinc/11/54/15/552115415.db2.gz ISEHGEOGRLFOAT-LBPRGKRZSA-N 1 2 381.527 2.665 10 0 GFAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000175505710 552123544 /nfs/dbraw/zinc/12/35/44/552123544.db2.gz WTKSIQUWRWCDOY-NSHDSACASA-N 1 2 396.702 2.655 10 0 GFAELO C[N@H+]1CCO[C@@H](CNC(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000175505710 552123546 /nfs/dbraw/zinc/12/35/46/552123546.db2.gz WTKSIQUWRWCDOY-NSHDSACASA-N 1 2 396.702 2.655 10 0 GFAELO C[C@@H](CNC(=O)NC(C)(C)c1ccccc1Br)[NH+]1CCOCC1 ZINC000178929882 552179856 /nfs/dbraw/zinc/17/98/56/552179856.db2.gz DTVSIHAIRMMQMG-ZDUSSCGKSA-N 1 2 384.318 2.704 10 0 GFAELO Brc1cc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)cc2c1OCCO2 ZINC000179466011 552194103 /nfs/dbraw/zinc/19/41/03/552194103.db2.gz CGKXHVRCJPVNKT-CYBMUJFWSA-N 1 2 379.258 2.649 10 0 GFAELO Brc1cc(C[N@H+]2CCC[C@@H](n3cncn3)C2)cc2c1OCCO2 ZINC000179466011 552194104 /nfs/dbraw/zinc/19/41/04/552194104.db2.gz CGKXHVRCJPVNKT-CYBMUJFWSA-N 1 2 379.258 2.649 10 0 GFAELO Cc1c(Br)ccc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1F ZINC000194202842 553014398 /nfs/dbraw/zinc/01/43/98/553014398.db2.gz AVFQURHCGHZZKT-GFCCVEGCSA-N 1 2 386.265 2.835 10 0 GFAELO CCn1cc[nH+]c1CS(=O)(=O)c1nccn1-c1ccc(Br)cc1 ZINC000195138038 553038667 /nfs/dbraw/zinc/03/86/67/553038667.db2.gz BQAQLVDGMZUTGG-UHFFFAOYSA-N 1 2 395.282 2.825 10 0 GFAELO C[C@@H](NC(=O)N[C@@H](C)c1ccccc1Br)[C@H](C)[NH+]1CCOCC1 ZINC000246470169 553107997 /nfs/dbraw/zinc/10/79/97/553107997.db2.gz QQQUCEVWADKKPH-RDBSUJKOSA-N 1 2 384.318 2.919 10 0 GFAELO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246573371 553109905 /nfs/dbraw/zinc/10/99/05/553109905.db2.gz VOLZPUMEKDPVBJ-PBFPGSCMSA-N 1 2 386.323 2.973 10 0 GFAELO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246573371 553109908 /nfs/dbraw/zinc/10/99/08/553109908.db2.gz VOLZPUMEKDPVBJ-PBFPGSCMSA-N 1 2 386.323 2.973 10 0 GFAELO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246573371 553109911 /nfs/dbraw/zinc/10/99/11/553109911.db2.gz VOLZPUMEKDPVBJ-PBFPGSCMSA-N 1 2 386.323 2.973 10 0 GFAELO COC(=O)[C@H](c1cccc(Cl)c1Cl)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000248441716 553129235 /nfs/dbraw/zinc/12/92/35/553129235.db2.gz KJDDLMGHDJYFKW-MJEQTWJJSA-N 1 2 387.307 2.860 10 0 GFAELO C[C@@H]1CC[N@H+](Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)[C@H]1CO ZINC000248863183 553136253 /nfs/dbraw/zinc/13/62/53/553136253.db2.gz AJONICPVIVXLBM-RNCFNFMXSA-N 1 2 375.782 2.537 10 0 GFAELO C[C@@H]1CC[N@@H+](Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)[C@H]1CO ZINC000248863183 553136255 /nfs/dbraw/zinc/13/62/55/553136255.db2.gz AJONICPVIVXLBM-RNCFNFMXSA-N 1 2 375.782 2.537 10 0 GFAELO O[C@@H](COc1cccc(Br)c1)C[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000249734803 553145390 /nfs/dbraw/zinc/14/53/90/553145390.db2.gz VSEUFGPQDKDPEC-UKRRQHHQSA-N 1 2 380.286 2.792 10 0 GFAELO O[C@@H](COc1cccc(Br)c1)C[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000249734803 553145392 /nfs/dbraw/zinc/14/53/92/553145392.db2.gz VSEUFGPQDKDPEC-UKRRQHHQSA-N 1 2 380.286 2.792 10 0 GFAELO O=S(=O)(c1ccc(Br)cc1Cl)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000249757870 553146136 /nfs/dbraw/zinc/14/61/36/553146136.db2.gz LHAJINBFFQZCPG-LBPRGKRZSA-N 1 2 393.734 2.961 10 0 GFAELO O=S(=O)(c1ccc(Br)cc1Cl)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000249757870 553146138 /nfs/dbraw/zinc/14/61/38/553146138.db2.gz LHAJINBFFQZCPG-LBPRGKRZSA-N 1 2 393.734 2.961 10 0 GFAELO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Br)cn1 ZINC000106208158 655105013 /nfs/dbraw/zinc/10/50/13/655105013.db2.gz YDWDVQLMRCSUKE-CQSZACIVSA-N 1 2 392.301 2.970 10 0 GFAELO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(Br)cn1 ZINC000106208158 655105014 /nfs/dbraw/zinc/10/50/14/655105014.db2.gz YDWDVQLMRCSUKE-CQSZACIVSA-N 1 2 392.301 2.970 10 0 GFAELO C[C@@H]1CN(C(=O)c2ccc(C3SCCS3)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000173874041 655183648 /nfs/dbraw/zinc/18/36/48/655183648.db2.gz COQBZLKWTQALCX-PBHICJAKSA-N 1 2 378.563 2.958 10 0 GFAELO COCC[N@@H+]1CCN(C(=O)[C@H](C)Sc2nc3ccccc3s2)C[C@@H]1C ZINC000245756870 655428592 /nfs/dbraw/zinc/42/85/92/655428592.db2.gz YOJSPCMGQCEXGB-KBPBESRZSA-N 1 2 379.551 2.956 10 0 GFAELO COCC[N@H+]1CCN(C(=O)[C@H](C)Sc2nc3ccccc3s2)C[C@@H]1C ZINC000245756870 655428593 /nfs/dbraw/zinc/42/85/93/655428593.db2.gz YOJSPCMGQCEXGB-KBPBESRZSA-N 1 2 379.551 2.956 10 0 GFAELO COc1cc(Br)ccc1C[NH2+]C1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263532184 655452445 /nfs/dbraw/zinc/45/24/45/655452445.db2.gz XCSZHZIKKSNXKX-UHFFFAOYSA-N 1 2 397.313 2.875 10 0 GFAELO COc1cc(Br)ccc1C[NH2+]C1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263532184 655452446 /nfs/dbraw/zinc/45/24/46/655452446.db2.gz XCSZHZIKKSNXKX-UHFFFAOYSA-N 1 2 397.313 2.875 10 0 GFAELO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000120009722 551218891 /nfs/dbraw/zinc/21/88/91/551218891.db2.gz CSQCGQQXJCUCFA-INIZCTEOSA-N 1 2 389.323 2.927 10 0 GFAELO CC(C)CN(Cc1ccccc1Br)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000121500107 551235835 /nfs/dbraw/zinc/23/58/35/551235835.db2.gz ABMSJXFEYBVZDQ-MRXNPFEDSA-N 1 2 398.345 2.947 10 0 GFAELO CC(C)CN(Cc1ccccc1Br)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000121500107 551235839 /nfs/dbraw/zinc/23/58/39/551235839.db2.gz ABMSJXFEYBVZDQ-MRXNPFEDSA-N 1 2 398.345 2.947 10 0 GFAELO CSCC[C@@H](NC(=O)[C@H](C)[NH+]1CCSCC1)c1nc2ccccc2[nH]1 ZINC000152325880 551430900 /nfs/dbraw/zinc/43/09/00/551430900.db2.gz HXARCIOSFUUAHU-XJKSGUPXSA-N 1 2 378.567 2.911 10 0 GFAELO OC[C@@H]1CCCN1c1cc(NCCc2ccc(Br)cc2)[nH+]cn1 ZINC000172239382 551674326 /nfs/dbraw/zinc/67/43/26/551674326.db2.gz HCLSHYPMSKCTSX-HNNXBMFYSA-N 1 2 377.286 2.855 10 0 GFAELO OC[C@@H]1CCCN1c1cc(NCCc2ccc(Br)cc2)nc[nH+]1 ZINC000172239382 551674330 /nfs/dbraw/zinc/67/43/30/551674330.db2.gz HCLSHYPMSKCTSX-HNNXBMFYSA-N 1 2 377.286 2.855 10 0 GFAELO CC(C)(C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000172764549 551686469 /nfs/dbraw/zinc/68/64/69/551686469.db2.gz HFABUNVKARPZDD-MRXNPFEDSA-N 1 2 381.314 2.660 10 0 GFAELO C[C@H]1CN(C(=O)c2[nH]c3ccccc3c2Br)C[C@H]1[NH+]1CCOCC1 ZINC000173395885 552085135 /nfs/dbraw/zinc/08/51/35/552085135.db2.gz RCZMTWQMHASMFI-SWLSCSKDSA-N 1 2 392.297 2.723 10 0 GFAELO O=S(=O)(c1cc(Br)ccc1F)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000173836457 552093816 /nfs/dbraw/zinc/09/38/16/552093816.db2.gz OESBNKQHTHJXPI-GFCCVEGCSA-N 1 2 388.262 2.638 10 0 GFAELO C[C@@H]1CN(C(=O)C(C)(C)c2cccc(Br)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000173845011 552093890 /nfs/dbraw/zinc/09/38/90/552093890.db2.gz VBYQILYORVUMSW-PBHICJAKSA-N 1 2 395.341 2.906 10 0 GFAELO Cc1ccc([C@@H](CNC(=O)N(C)Cc2nccs2)[NH+]2CCOCC2)s1 ZINC000174985866 552113167 /nfs/dbraw/zinc/11/31/67/552113167.db2.gz JHTFHUYNSIQWKJ-CQSZACIVSA-N 1 2 380.539 2.728 10 0 GFAELO C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000175950946 552132764 /nfs/dbraw/zinc/13/27/64/552132764.db2.gz WAPIRWALFBIPLR-GXTWGEPZSA-N 1 2 379.913 2.816 10 0 GFAELO C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000175950946 552132765 /nfs/dbraw/zinc/13/27/65/552132765.db2.gz WAPIRWALFBIPLR-GXTWGEPZSA-N 1 2 379.913 2.816 10 0 GFAELO C[C@H]1CN(C(=O)Nc2cc(Br)ccc2F)C[C@@H]1[NH+]1CCOCC1 ZINC000177849641 552160057 /nfs/dbraw/zinc/16/00/57/552160057.db2.gz YNNQAENSHCIWGQ-NHYWBVRUSA-N 1 2 386.265 2.773 10 0 GFAELO C[C@H](CNC(=O)NC(C)(C)c1ccccc1Br)[NH+]1CCOCC1 ZINC000178929896 552179715 /nfs/dbraw/zinc/17/97/15/552179715.db2.gz DTVSIHAIRMMQMG-CYBMUJFWSA-N 1 2 384.318 2.704 10 0 GFAELO CC[C@@H]1CN(S(=O)(=O)c2ccc(SC)c(Cl)c2)CC[N@@H+]1C[C@@H](C)O ZINC000185792724 552370679 /nfs/dbraw/zinc/37/06/79/552370679.db2.gz XTBBPUNSINUFDS-CHWSQXEVSA-N 1 2 392.974 2.528 10 0 GFAELO CC[C@@H]1CN(S(=O)(=O)c2ccc(SC)c(Cl)c2)CC[N@H+]1C[C@@H](C)O ZINC000185792724 552370680 /nfs/dbraw/zinc/37/06/80/552370680.db2.gz XTBBPUNSINUFDS-CHWSQXEVSA-N 1 2 392.974 2.528 10 0 GFAELO CC[C@H]1CN(Cc2cccc(Cl)c2S(=O)(=O)CC)CC[N@@H+]1CCOC ZINC000186941175 552402476 /nfs/dbraw/zinc/40/24/76/552402476.db2.gz SGRCHUKMRUIKLH-INIZCTEOSA-N 1 2 388.961 2.676 10 0 GFAELO CC[C@H]1CN(Cc2cccc(Cl)c2S(=O)(=O)CC)CC[N@H+]1CCOC ZINC000186941175 552402477 /nfs/dbraw/zinc/40/24/77/552402477.db2.gz SGRCHUKMRUIKLH-INIZCTEOSA-N 1 2 388.961 2.676 10 0 GFAELO CCCCc1nnc(NC(=O)C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)s1 ZINC000188076608 552434182 /nfs/dbraw/zinc/43/41/82/552434182.db2.gz DHEKNTLXQQLXPP-KBPBESRZSA-N 1 2 380.539 2.589 10 0 GFAELO CCCCc1nnc(NC(=O)C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)s1 ZINC000188076608 552434184 /nfs/dbraw/zinc/43/41/84/552434184.db2.gz DHEKNTLXQQLXPP-KBPBESRZSA-N 1 2 380.539 2.589 10 0 GFAELO CC(C)[C@](C)(NC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccc(Br)cc1 ZINC000188634203 552450923 /nfs/dbraw/zinc/45/09/23/552450923.db2.gz VHXIOEQBSOLIBO-AEFFLSMTSA-N 1 2 398.345 2.950 10 0 GFAELO CC(C)[C@](C)(NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccc(Br)cc1 ZINC000188634203 552450925 /nfs/dbraw/zinc/45/09/25/552450925.db2.gz VHXIOEQBSOLIBO-AEFFLSMTSA-N 1 2 398.345 2.950 10 0 GFAELO C[C@H](CNC(=O)Nc1cc(F)cc(F)c1Br)[NH+]1CCOCC1 ZINC000190627510 552504045 /nfs/dbraw/zinc/50/40/45/552504045.db2.gz MDULBZDFTMEXSS-SECBINFHSA-N 1 2 378.217 2.570 10 0 GFAELO Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)ccc1Br ZINC000190765959 552508360 /nfs/dbraw/zinc/50/83/60/552508360.db2.gz ZENDPZDITZQGFF-CQSZACIVSA-N 1 2 391.269 2.584 10 0 GFAELO O=C(c1cc(Cl)ccc1I)N1CCn2cc[nH+]c2C1 ZINC000226955963 553062938 /nfs/dbraw/zinc/06/29/38/553062938.db2.gz XRROVBMQLILPNF-UHFFFAOYSA-N 1 2 387.608 2.797 10 0 GFAELO NC(=O)[C@@H](c1cccc(Br)c1)N1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000245723800 553095606 /nfs/dbraw/zinc/09/56/06/553095606.db2.gz BCMHORCHXLTLKJ-SUMWQHHRSA-N 1 2 389.297 2.805 10 0 GFAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)CSc2ccncc2)c2cccs2)CCO1 ZINC000246996090 553117472 /nfs/dbraw/zinc/11/74/72/553117472.db2.gz QXLRHKDAEIHGFL-GDBMZVCRSA-N 1 2 377.535 2.813 10 0 GFAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)CSc2ccncc2)c2cccs2)CCO1 ZINC000246996090 553117474 /nfs/dbraw/zinc/11/74/74/553117474.db2.gz QXLRHKDAEIHGFL-GDBMZVCRSA-N 1 2 377.535 2.813 10 0 GFAELO CCOCC[N@@H+]1CCN(Cc2cccc(Cl)c2S(=O)(=O)CC)C[C@H]1C ZINC000249448113 553143297 /nfs/dbraw/zinc/14/32/97/553143297.db2.gz NVYYWOTVLFEQNB-OAHLLOKOSA-N 1 2 388.961 2.676 10 0 GFAELO CCOCC[N@H+]1CCN(Cc2cccc(Cl)c2S(=O)(=O)CC)C[C@H]1C ZINC000249448113 553143300 /nfs/dbraw/zinc/14/33/00/553143300.db2.gz NVYYWOTVLFEQNB-OAHLLOKOSA-N 1 2 388.961 2.676 10 0 GFAELO COC(=O)[C@@]1(C)CCC[N@@H+]1CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000249584443 553144790 /nfs/dbraw/zinc/14/47/90/553144790.db2.gz SMCUBGKXPWJCCK-SJKOYZFVSA-N 1 2 383.286 2.654 10 0 GFAELO COC(=O)[C@@]1(C)CCC[N@H+]1CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000249584443 553144793 /nfs/dbraw/zinc/14/47/93/553144793.db2.gz SMCUBGKXPWJCCK-SJKOYZFVSA-N 1 2 383.286 2.654 10 0 GFAELO OC[C@@H]1CCCN1c1cc(NC[C@H](O)c2cc(Cl)cc(Cl)c2)[nH+]cn1 ZINC000301302638 563400054 /nfs/dbraw/zinc/40/00/54/563400054.db2.gz WDARCICWZMXNKC-GJZGRUSLSA-N 1 2 383.279 2.890 10 0 GFAELO OC[C@@H]1CCCN1c1cc(NC[C@H](O)c2cc(Cl)cc(Cl)c2)nc[nH+]1 ZINC000301302638 563400056 /nfs/dbraw/zinc/40/00/56/563400056.db2.gz WDARCICWZMXNKC-GJZGRUSLSA-N 1 2 383.279 2.890 10 0 GFAELO C[C@@H](C(=O)Nc1nccs1)[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106161177 655104096 /nfs/dbraw/zinc/10/40/96/655104096.db2.gz DRJWFTUJVNRRRX-KBPBESRZSA-N 1 2 380.539 2.537 10 0 GFAELO C[C@@H](C(=O)Nc1nccs1)[N@@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106161177 655104100 /nfs/dbraw/zinc/10/41/00/655104100.db2.gz DRJWFTUJVNRRRX-KBPBESRZSA-N 1 2 380.539 2.537 10 0 GFAELO CCn1c(=S)n(CN2CC[NH+](Cc3cnc(C)s3)CC2)nc1C1CC1 ZINC000111164891 655165855 /nfs/dbraw/zinc/16/58/55/655165855.db2.gz VKKOYLSAOKUELD-UHFFFAOYSA-N 1 2 378.571 2.852 10 0 GFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cccc(Br)c2)nc[nH+]1 ZINC000173407876 655170467 /nfs/dbraw/zinc/17/04/67/655170467.db2.gz YVBYHGLRXWHKBU-CQSZACIVSA-N 1 2 390.285 2.680 10 0 GFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cccc(Br)c2)[nH+]cn1 ZINC000173407876 655170469 /nfs/dbraw/zinc/17/04/69/655170469.db2.gz YVBYHGLRXWHKBU-CQSZACIVSA-N 1 2 390.285 2.680 10 0 GFAELO COCC[N@@H+]1CCN(C(=O)c2cc3cc(Br)ccc3o2)C[C@H]1C ZINC000117296149 655263696 /nfs/dbraw/zinc/26/36/96/655263696.db2.gz BOKLHWVRWNCNBJ-GFCCVEGCSA-N 1 2 381.270 2.988 10 0 GFAELO COCC[N@H+]1CCN(C(=O)c2cc3cc(Br)ccc3o2)C[C@H]1C ZINC000117296149 655263699 /nfs/dbraw/zinc/26/36/99/655263699.db2.gz BOKLHWVRWNCNBJ-GFCCVEGCSA-N 1 2 381.270 2.988 10 0 GFAELO COc1ccccc1OCCN1CC[NH+](C[C@@H]2COc3ccccc3O2)CC1 ZINC000019360855 206296694 /nfs/dbraw/zinc/29/66/94/206296694.db2.gz UPNJDOLJQRGRCS-GOSISDBHSA-N 1 2 384.476 2.532 10 0 GFAELO Fc1ccc(-n2cc(CN(CC[NH+]3CCOCC3)Cc3cccnc3)cn2)cc1 ZINC000022931456 207265013 /nfs/dbraw/zinc/26/50/13/207265013.db2.gz UFLYLEUFMYCOJK-UHFFFAOYSA-N 1 2 395.482 2.741 10 0 GFAELO Fc1ccc(-n2cc(C[N@H+](CCN3CCOCC3)Cc3cccnc3)cn2)cc1 ZINC000022931456 207265017 /nfs/dbraw/zinc/26/50/17/207265017.db2.gz UFLYLEUFMYCOJK-UHFFFAOYSA-N 1 2 395.482 2.741 10 0 GFAELO Fc1ccc(-n2cc(C[N@@H+](CCN3CCOCC3)Cc3cccnc3)cn2)cc1 ZINC000022931456 207265021 /nfs/dbraw/zinc/26/50/21/207265021.db2.gz UFLYLEUFMYCOJK-UHFFFAOYSA-N 1 2 395.482 2.741 10 0 GFAELO CCCc1nnc(N2CCC3(CC2)c2[nH+]c[nH]c2CCN3C(=O)C2CC2)s1 ZINC000095525264 208222448 /nfs/dbraw/zinc/22/24/48/208222448.db2.gz KSWHJGFKOMNGEY-UHFFFAOYSA-N 1 2 386.525 2.504 10 0 GFAELO CN(C)c1nc(N2CCOCC2)[nH+]cc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000224358285 136206869 /nfs/dbraw/zinc/20/68/69/136206869.db2.gz FTYDYXYKTTWSCL-UHFFFAOYSA-N 1 2 383.496 2.929 10 0 GFAELO CN(C)c1nc(N2CCOCC2)[nH+]cc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000224359279 136206890 /nfs/dbraw/zinc/20/68/90/136206890.db2.gz NOQYQHBZJYBEHB-UHFFFAOYSA-N 1 2 395.385 2.650 10 0 GFAELO O=S(=O)(c1ccc(Br)cc1Cl)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000040436483 551134297 /nfs/dbraw/zinc/13/42/97/551134297.db2.gz LHAJINBFFQZCPG-GFCCVEGCSA-N 1 2 393.734 2.961 10 0 GFAELO O=S(=O)(c1ccc(Br)cc1Cl)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000040436483 551134298 /nfs/dbraw/zinc/13/42/98/551134298.db2.gz LHAJINBFFQZCPG-GFCCVEGCSA-N 1 2 393.734 2.961 10 0 GFAELO O=C(Nc1cc(F)c(Br)cc1F)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000121928357 551292470 /nfs/dbraw/zinc/29/24/70/551292470.db2.gz NPJUYTVPKARKTK-SNVBAGLBSA-N 1 2 390.228 2.666 10 0 GFAELO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000129392979 551356921 /nfs/dbraw/zinc/35/69/21/551356921.db2.gz UKLWYSKGTURIGD-CHWSQXEVSA-N 1 2 387.293 2.604 10 0 GFAELO Cc1c(Br)cccc1C[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000131804533 551375796 /nfs/dbraw/zinc/37/57/96/551375796.db2.gz WNTWFKRSYUAZGP-UHFFFAOYSA-N 1 2 387.285 2.517 10 0 GFAELO Cc1noc([C@@H](C)N2CC[NH+](C[C@@H](O)c3ccccc3Br)CC2)n1 ZINC000152946482 551443373 /nfs/dbraw/zinc/44/33/73/551443373.db2.gz RFUWUWBKNSOGMU-MLGOLLRUSA-N 1 2 395.301 2.553 10 0 GFAELO Brc1ccc2[nH]c(C[N@@H+]3CCCN(c4cccnn4)CC3)nc2c1 ZINC000159305372 551563518 /nfs/dbraw/zinc/56/35/18/551563518.db2.gz CNAZIBHEYFUMBN-UHFFFAOYSA-N 1 2 387.285 2.828 10 0 GFAELO Brc1ccc2[nH]c(C[N@H+]3CCCN(c4cccnn4)CC3)nc2c1 ZINC000159305372 551563519 /nfs/dbraw/zinc/56/35/19/551563519.db2.gz CNAZIBHEYFUMBN-UHFFFAOYSA-N 1 2 387.285 2.828 10 0 GFAELO Brc1ccc2nc(C[N@@H+]3CCCN(c4cccnn4)CC3)[nH]c2c1 ZINC000159305372 551563521 /nfs/dbraw/zinc/56/35/21/551563521.db2.gz CNAZIBHEYFUMBN-UHFFFAOYSA-N 1 2 387.285 2.828 10 0 GFAELO Brc1ccc2nc(C[N@H+]3CCCN(c4cccnn4)CC3)[nH]c2c1 ZINC000159305372 551563523 /nfs/dbraw/zinc/56/35/23/551563523.db2.gz CNAZIBHEYFUMBN-UHFFFAOYSA-N 1 2 387.285 2.828 10 0 GFAELO O=C(CCSc1nc2ccccc2s1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172761290 551686284 /nfs/dbraw/zinc/68/62/84/551686284.db2.gz FVZAEHPSGWVGMX-CQSZACIVSA-N 1 2 377.535 2.712 10 0 GFAELO Cc1cc(Br)ccc1SCC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172758288 551686623 /nfs/dbraw/zinc/68/66/23/551686623.db2.gz FSRFEGVCZAPSOK-HNNXBMFYSA-N 1 2 399.354 2.783 10 0 GFAELO C[C@H](C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)c1ccc(Br)s1 ZINC000173398205 552084888 /nfs/dbraw/zinc/08/48/88/552084888.db2.gz WYUKXIFKPQZHCX-AVGNSLFASA-N 1 2 387.343 2.793 10 0 GFAELO C[C@H]1CN(C(=O)C2(c3cccc(Br)c3)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000173818015 552092516 /nfs/dbraw/zinc/09/25/16/552092516.db2.gz BJCOIVUAPXBUQO-WMLDXEAASA-N 1 2 393.325 2.660 10 0 GFAELO Cc1nc(-c2cccs2)sc1C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000173826499 552093123 /nfs/dbraw/zinc/09/31/23/552093123.db2.gz FENLXOJJIILXMV-JSGCOSHPSA-N 1 2 377.535 2.973 10 0 GFAELO COc1cc(Br)cc(C)c1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173876667 552095242 /nfs/dbraw/zinc/09/52/42/552095242.db2.gz CTARURVDGDKPED-CQSZACIVSA-N 1 2 398.301 2.705 10 0 GFAELO C[C@H](NC(=O)c1c[nH]c(=O)c(Br)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173953405 552095743 /nfs/dbraw/zinc/09/57/43/552095743.db2.gz CTOVSBUOZLOEHE-NSHDSACASA-N 1 2 387.237 2.814 10 0 GFAELO CCn1cnnc1C1CC[NH+](CC(=O)Nc2ccccc2Br)CC1 ZINC000175207624 552117524 /nfs/dbraw/zinc/11/75/24/552117524.db2.gz POQWVNOLXJQISB-UHFFFAOYSA-N 1 2 392.301 2.879 10 0 GFAELO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+][C@@H](C)c2c(Cl)ccc(F)c2Cl)C1 ZINC000179540372 552196068 /nfs/dbraw/zinc/19/60/68/552196068.db2.gz GEQMOAOACNWTMF-CMPLNLGQSA-N 1 2 390.286 2.910 10 0 GFAELO CCn1cc[nH+]c1CS(=O)(=O)CCc1cc(Cl)c2c(c1)OCCCO2 ZINC000182378591 552281992 /nfs/dbraw/zinc/28/19/92/552281992.db2.gz XLPWWTJOXCOWFH-UHFFFAOYSA-N 1 2 384.885 2.875 10 0 GFAELO Brc1cc2c(cc1CN1CC[C@@H]([NH+]3CCOCC3)C1)OCCCO2 ZINC000182357278 552282212 /nfs/dbraw/zinc/28/22/12/552282212.db2.gz PZZMQOGCOQEPDL-OAHLLOKOSA-N 1 2 397.313 2.517 10 0 GFAELO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC(c3ccccc3Br)CC2)C1 ZINC000187497879 552417391 /nfs/dbraw/zinc/41/73/91/552417391.db2.gz FDVPWNBKCIPFPG-HNNXBMFYSA-N 1 2 396.329 2.669 10 0 GFAELO C[N@H+]1CCO[C@@H](CNC(=O)N2CCC(c3ccccc3Br)CC2)C1 ZINC000187497879 552417394 /nfs/dbraw/zinc/41/73/94/552417394.db2.gz FDVPWNBKCIPFPG-HNNXBMFYSA-N 1 2 396.329 2.669 10 0 GFAELO CC[C@@H](Cc1ccccc1Br)N(C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000187813469 552424947 /nfs/dbraw/zinc/42/49/47/552424947.db2.gz CQKRVMNMIWAHIK-JKSUJKDBSA-N 1 2 398.345 2.742 10 0 GFAELO CC[C@@H](Cc1ccccc1Br)N(C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000187813469 552424950 /nfs/dbraw/zinc/42/49/50/552424950.db2.gz CQKRVMNMIWAHIK-JKSUJKDBSA-N 1 2 398.345 2.742 10 0 GFAELO C[C@@H]1CN(C(=O)C2(c3ccccc3Br)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000191917055 552542737 /nfs/dbraw/zinc/54/27/37/552542737.db2.gz CAMGYCIVJRVLGE-RHSMWYFYSA-N 1 2 393.325 2.660 10 0 GFAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2cc(C)c(F)cc2Cl)C[C@H]1C ZINC000246039163 553101793 /nfs/dbraw/zinc/10/17/93/553101793.db2.gz RKLFTSBPVYAUQJ-CYBMUJFWSA-N 1 2 378.897 2.519 10 0 GFAELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2cc(C)c(F)cc2Cl)C[C@H]1C ZINC000246039163 553101792 /nfs/dbraw/zinc/10/17/92/553101792.db2.gz RKLFTSBPVYAUQJ-CYBMUJFWSA-N 1 2 378.897 2.519 10 0 GFAELO Cc1nc(CC(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)c(C)s1 ZINC000246901975 553115135 /nfs/dbraw/zinc/11/51/35/553115135.db2.gz FKDQWRNUAPWNEF-BLLLJJGKSA-N 1 2 379.551 2.942 10 0 GFAELO Cc1nc(CC(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)c(C)s1 ZINC000246901975 553115137 /nfs/dbraw/zinc/11/51/37/553115137.db2.gz FKDQWRNUAPWNEF-BLLLJJGKSA-N 1 2 379.551 2.942 10 0 GFAELO O=C(C1CCCC1)N1CC[NH+](CCNc2ccc(Br)cn2)CC1 ZINC000301332607 563400976 /nfs/dbraw/zinc/40/09/76/563400976.db2.gz AYLDSBTUVDRQAY-UHFFFAOYSA-N 1 2 381.318 2.590 10 0 GFAELO Cc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000012453468 570724586 /nfs/dbraw/zinc/72/45/86/570724586.db2.gz CUAWMOARKYEFHW-HXUWFJFHSA-N 1 2 399.922 2.698 10 0 GFAELO Cc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000012453468 570724589 /nfs/dbraw/zinc/72/45/89/570724589.db2.gz CUAWMOARKYEFHW-HXUWFJFHSA-N 1 2 399.922 2.698 10 0 GFAELO CC(=O)N[C@@H]1CCC[N@H+](Cn2ccc(-c3ccc(Br)cc3)n2)C1 ZINC000153371069 655066498 /nfs/dbraw/zinc/06/64/98/655066498.db2.gz RCZNLKNTQBPPDW-MRXNPFEDSA-N 1 2 377.286 2.871 10 0 GFAELO CC(=O)N[C@@H]1CCC[N@@H+](Cn2ccc(-c3ccc(Br)cc3)n2)C1 ZINC000153371069 655066501 /nfs/dbraw/zinc/06/65/01/655066501.db2.gz RCZNLKNTQBPPDW-MRXNPFEDSA-N 1 2 377.286 2.871 10 0 GFAELO Cn1cc(C[N@@H+]2CCCN(C(=O)c3cc(F)cc(Br)c3)CC2)cn1 ZINC000109658972 655150113 /nfs/dbraw/zinc/15/01/13/655150113.db2.gz MCQKDEUOZWKNRK-UHFFFAOYSA-N 1 2 395.276 2.670 10 0 GFAELO Cn1cc(C[N@H+]2CCCN(C(=O)c3cc(F)cc(Br)c3)CC2)cn1 ZINC000109658972 655150116 /nfs/dbraw/zinc/15/01/16/655150116.db2.gz MCQKDEUOZWKNRK-UHFFFAOYSA-N 1 2 395.276 2.670 10 0 GFAELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)nc2Cl)C[C@@H]1CC ZINC000172030338 655155982 /nfs/dbraw/zinc/15/59/82/655155982.db2.gz ZMLWODYVCMRKNU-LBPRGKRZSA-N 1 2 396.340 2.510 10 0 GFAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2ccc(Cl)nc2Cl)C[C@@H]1CC ZINC000172030338 655155983 /nfs/dbraw/zinc/15/59/83/655155983.db2.gz ZMLWODYVCMRKNU-LBPRGKRZSA-N 1 2 396.340 2.510 10 0 GFAELO Cc1cc(CCC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)ccc1Br ZINC000176186831 655238802 /nfs/dbraw/zinc/23/88/02/655238802.db2.gz YJFGQJFGHQIVEQ-MRXNPFEDSA-N 1 2 381.314 2.623 10 0 GFAELO O=C(COc1nsnc1-c1ccc(Cl)cc1)NCCCn1cc[nH+]c1 ZINC000223741924 655422497 /nfs/dbraw/zinc/42/24/97/655422497.db2.gz XVWCRQBWQWYNJZ-UHFFFAOYSA-N 1 2 377.857 2.640 10 0 GFAELO C[N@H+](CCc1ccc(Br)cc1)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000246322128 655429776 /nfs/dbraw/zinc/42/97/76/655429776.db2.gz ILZSYYBZQDXRGE-HZPDHXFCSA-N 1 2 377.282 2.832 10 0 GFAELO C[N@@H+](CCc1ccc(Br)cc1)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000246322128 655429779 /nfs/dbraw/zinc/42/97/79/655429779.db2.gz ILZSYYBZQDXRGE-HZPDHXFCSA-N 1 2 377.282 2.832 10 0 GFAELO C[C@@H](CNC(=O)N(Cc1cccc(Br)c1)C1CC1)[NH+]1CCOCC1 ZINC000046261846 551150017 /nfs/dbraw/zinc/15/00/17/551150017.db2.gz GXGJYCCHOZKDGC-AWEZNQCLSA-N 1 2 396.329 2.844 10 0 GFAELO CN(CCc1ccc(Br)cc1)c1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000106472402 551199973 /nfs/dbraw/zinc/19/99/73/551199973.db2.gz ZFALPIUXXXFTMG-MRXNPFEDSA-N 1 2 391.313 2.879 10 0 GFAELO CN(CCc1ccc(Br)cc1)c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000106472402 551199976 /nfs/dbraw/zinc/19/99/76/551199976.db2.gz ZFALPIUXXXFTMG-MRXNPFEDSA-N 1 2 391.313 2.879 10 0 GFAELO Cn1cc([C@@H]2CC[N@@H+](CCS(=O)(=O)c3cc(Cl)ccc3Cl)C2)cn1 ZINC000116311122 551211889 /nfs/dbraw/zinc/21/18/89/551211889.db2.gz KXZJURBUVVYGLZ-GFCCVEGCSA-N 1 2 388.320 2.990 10 0 GFAELO Cn1cc([C@@H]2CC[N@H+](CCS(=O)(=O)c3cc(Cl)ccc3Cl)C2)cn1 ZINC000116311122 551211886 /nfs/dbraw/zinc/21/18/86/551211886.db2.gz KXZJURBUVVYGLZ-GFCCVEGCSA-N 1 2 388.320 2.990 10 0 GFAELO Cc1cc(I)ccc1NC(=O)C[N@@H+]1CCS[C@H](C)C1 ZINC000171702448 551661345 /nfs/dbraw/zinc/66/13/45/551661345.db2.gz NIRZTXMBZYMRGQ-LLVKDONJSA-N 1 2 390.290 2.975 10 0 GFAELO Cc1cc(I)ccc1NC(=O)C[N@H+]1CCS[C@H](C)C1 ZINC000171702448 551661347 /nfs/dbraw/zinc/66/13/47/551661347.db2.gz NIRZTXMBZYMRGQ-LLVKDONJSA-N 1 2 390.290 2.975 10 0 GFAELO O=C(CN1CC[C@@H]([NH+]2CCOCC2)C1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000172806528 551687239 /nfs/dbraw/zinc/68/72/39/551687239.db2.gz FPCYANQRTWLBMA-GFCCVEGCSA-N 1 2 392.714 2.992 10 0 GFAELO C[C@H]1CN(C(=O)c2cc3c(cccc3Br)[nH]2)C[C@H]1[NH+]1CCOCC1 ZINC000173807413 552092707 /nfs/dbraw/zinc/09/27/07/552092707.db2.gz DXDMWWZAOWLPEX-YVEFUNNKSA-N 1 2 392.297 2.723 10 0 GFAELO C[C@H]1CN(C(=O)C(C)(C)c2cccc(Br)c2)C[C@H]1[NH+]1CCOCC1 ZINC000173845050 552093557 /nfs/dbraw/zinc/09/35/57/552093557.db2.gz VBYQILYORVUMSW-WMLDXEAASA-N 1 2 395.341 2.906 10 0 GFAELO Cc1ccc([C@H](CNC(=O)N2CCS[C@@H](C)[C@@H]2C)[NH+]2CCOCC2)s1 ZINC000175013101 552113667 /nfs/dbraw/zinc/11/36/67/552113667.db2.gz ZGSHXVHQMJTTEA-JYJNAYRXSA-N 1 2 383.583 2.965 10 0 GFAELO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC(C(N)=O)CC1)c1c(Cl)ccc(F)c1Cl ZINC000179542649 552195945 /nfs/dbraw/zinc/19/59/45/552195945.db2.gz WGDAPQNENXWFQA-ZJUUUORDSA-N 1 2 390.286 2.896 10 0 GFAELO Cc1cc(Br)cc(NC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000190750806 552508037 /nfs/dbraw/zinc/50/80/37/552508037.db2.gz RTIKVRZCRTWCIU-OAHLLOKOSA-N 1 2 391.269 2.584 10 0 GFAELO COC(=O)[C@@H](c1cccc(Br)c1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000245946296 553099679 /nfs/dbraw/zinc/09/96/79/553099679.db2.gz RWNVIQUHJMKRIK-XJKSGUPXSA-N 1 2 378.270 2.886 10 0 GFAELO COC(=O)[C@@H](c1cccc(Br)c1)[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000245946296 553099681 /nfs/dbraw/zinc/09/96/81/553099681.db2.gz RWNVIQUHJMKRIK-XJKSGUPXSA-N 1 2 378.270 2.886 10 0 GFAELO C[C@@H]1Cc2cc(S(=O)(=O)N3CCC[C@H]3Cn3cc[nH+]c3)cc(Cl)c2O1 ZINC000246241126 553105078 /nfs/dbraw/zinc/10/50/78/553105078.db2.gz RSLSXKZWUSZYIX-OCCSQVGLSA-N 1 2 381.885 2.713 10 0 GFAELO Cc1ccc([C@H](CNC(=O)N2CCS[C@H](C)[C@H]2C)[NH+]2CCOCC2)s1 ZINC000248371905 553128745 /nfs/dbraw/zinc/12/87/45/553128745.db2.gz ZGSHXVHQMJTTEA-OAGGEKHMSA-N 1 2 383.583 2.965 10 0 GFAELO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1sccc1Br ZINC000252662271 553150477 /nfs/dbraw/zinc/15/04/77/553150477.db2.gz WZAOPTNSWYYOMY-QWRGUYRKSA-N 1 2 379.345 2.758 10 0 GFAELO C[C@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1sccc1Br ZINC000252662271 553150478 /nfs/dbraw/zinc/15/04/78/553150478.db2.gz WZAOPTNSWYYOMY-QWRGUYRKSA-N 1 2 379.345 2.758 10 0 GFAELO O=S(=O)(NC[C@H]1CCn2cc[nH+]c2C1)c1cc(C(F)(F)F)ccc1F ZINC000328627560 563461515 /nfs/dbraw/zinc/46/15/15/563461515.db2.gz MXBDEHWDEVIZNO-JTQLQIEISA-N 1 2 377.363 2.582 10 0 GFAELO O=C(c1cn2ccccc2n1)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000275403501 570692391 /nfs/dbraw/zinc/69/23/91/570692391.db2.gz BESCKIDJVVKKJM-INIZCTEOSA-N 1 2 377.448 2.623 10 0 GFAELO CC(C)n1nnnc1C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(Cc3ccccc3)no2)C1 ZINC000328607162 570995410 /nfs/dbraw/zinc/99/54/10/570995410.db2.gz UYKUNXYXIZIMBN-DYESRHJHSA-N 1 2 393.495 2.782 10 0 GFAELO CC(C)n1nnnc1C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(Cc3ccccc3)no2)C1 ZINC000328607162 570995415 /nfs/dbraw/zinc/99/54/15/570995415.db2.gz UYKUNXYXIZIMBN-DYESRHJHSA-N 1 2 393.495 2.782 10 0 GFAELO CC[C@H](Cc1ccccc1Br)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000131925695 654922067 /nfs/dbraw/zinc/92/20/67/654922067.db2.gz UPABAGZSILPSDG-HUUCEWRRSA-N 1 2 383.330 2.855 10 0 GFAELO C[C@H]([C@H](C)NC(=O)N[C@@H](C)c1ccccc1Br)[NH+]1CCOCC1 ZINC000105081889 655089010 /nfs/dbraw/zinc/08/90/10/655089010.db2.gz QQQUCEVWADKKPH-MELADBBJSA-N 1 2 384.318 2.919 10 0 GFAELO C[C@H]1CN(C(=O)c2ccc(C3SCCS3)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000173874074 655183673 /nfs/dbraw/zinc/18/36/73/655183673.db2.gz COQBZLKWTQALCX-WMLDXEAASA-N 1 2 378.563 2.958 10 0 GFAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)C[C@@H]1C ZINC000117521662 655265477 /nfs/dbraw/zinc/26/54/77/655265477.db2.gz UXFMEXNQQYFNPV-LBPRGKRZSA-N 1 2 388.295 2.501 10 0 GFAELO CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)C[C@@H]1C ZINC000117521662 655265478 /nfs/dbraw/zinc/26/54/78/655265478.db2.gz UXFMEXNQQYFNPV-LBPRGKRZSA-N 1 2 388.295 2.501 10 0 GFAELO O[C@@H]1Cc2ccccc2C12CC[NH+](Cc1cccc(N3CCOCC3)c1)CC2 ZINC000072157930 136166970 /nfs/dbraw/zinc/16/69/70/136166970.db2.gz MGCGTZPXQDFTOG-HSZRJFAPSA-N 1 2 378.516 2.974 10 0 GFAELO CCc1cnc(C)nc1N1CCC[C@@H](c2cc(N3CCOCC3)nc(C)[nH+]2)C1 ZINC000072436313 136170257 /nfs/dbraw/zinc/17/02/57/136170257.db2.gz KORVJBFVOGFUBE-GOSISDBHSA-N 1 2 382.512 2.666 10 0 GFAELO CN(Cc1csc(Br)c1)c1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000110277240 551203898 /nfs/dbraw/zinc/20/38/98/551203898.db2.gz ZBKJIRQXPRBWQX-GFCCVEGCSA-N 1 2 383.315 2.898 10 0 GFAELO CN(Cc1csc(Br)c1)c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000110277240 551203899 /nfs/dbraw/zinc/20/38/99/551203899.db2.gz ZBKJIRQXPRBWQX-GFCCVEGCSA-N 1 2 383.315 2.898 10 0 GFAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000124875486 551318729 /nfs/dbraw/zinc/31/87/29/551318729.db2.gz NXXNQZRGCLULAY-LBPRGKRZSA-N 1 2 381.192 2.528 10 0 GFAELO C[N@H+]1CCO[C@@H](CNC(=O)c2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000124875486 551318731 /nfs/dbraw/zinc/31/87/31/551318731.db2.gz NXXNQZRGCLULAY-LBPRGKRZSA-N 1 2 381.192 2.528 10 0 GFAELO C[C@@H]1CN(Cc2cc(Br)cc3c2OCC3)C[C@@H]1[NH+]1CCOCC1 ZINC000154009899 551465373 /nfs/dbraw/zinc/46/53/73/551465373.db2.gz QWGRQYYYPIYDKE-DYVFJYSZSA-N 1 2 381.314 2.537 10 0 GFAELO CCn1cc[nH+]c1CS(=O)(=O)CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000156257106 551518041 /nfs/dbraw/zinc/51/80/41/551518041.db2.gz IKDNXOAWMVWFDV-CYBMUJFWSA-N 1 2 383.901 2.691 10 0 GFAELO Cc1cc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c(C)cc1Br ZINC000157991340 551545731 /nfs/dbraw/zinc/54/57/31/551545731.db2.gz DFNQODXLMVGAQR-WMLDXEAASA-N 1 2 381.314 2.859 10 0 GFAELO C[C@H]1CN(C(=O)c2cc3ccc(Br)cc3[nH]2)C[C@@H]1[NH+]1CCOCC1 ZINC000173398791 552084918 /nfs/dbraw/zinc/08/49/18/552084918.db2.gz VSZAKLIHFXLJPJ-SJCJKPOMSA-N 1 2 392.297 2.723 10 0 GFAELO CC[C@H](NC(=O)NC[C@@H](C)[NH+]1CCOCC1)c1nc(C(F)(F)F)cs1 ZINC000173825986 552093173 /nfs/dbraw/zinc/09/31/73/552093173.db2.gz BFFZMMJQXZHALC-MNOVXSKESA-N 1 2 380.436 2.633 10 0 GFAELO O=S(=O)(c1cc(Br)ccc1F)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000173836472 552093577 /nfs/dbraw/zinc/09/35/77/552093577.db2.gz OESBNKQHTHJXPI-LBPRGKRZSA-N 1 2 388.262 2.638 10 0 GFAELO O=S(=O)(c1ccc(F)cc1Br)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000173836020 552093658 /nfs/dbraw/zinc/09/36/58/552093658.db2.gz VHIBCBDTUIOWBP-LBPRGKRZSA-N 1 2 388.262 2.638 10 0 GFAELO CC[C@H]1CN(C(=O)NC[C@@H](c2ccc(C)s2)[NH+]2CCOCC2)CCS1 ZINC000175006672 552113534 /nfs/dbraw/zinc/11/35/34/552113534.db2.gz QWZJHQJNMHVWQV-HOTGVXAUSA-N 1 2 383.583 2.967 10 0 GFAELO COc1ccc(Br)cc1-c1nc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)cs1 ZINC000185141813 552355412 /nfs/dbraw/zinc/35/54/12/552355412.db2.gz CRUGMETYZSKLDO-OLZOCXBDSA-N 1 2 399.310 2.509 10 0 GFAELO COc1ccc(Br)cc1-c1nc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)cs1 ZINC000185141813 552355413 /nfs/dbraw/zinc/35/54/13/552355413.db2.gz CRUGMETYZSKLDO-OLZOCXBDSA-N 1 2 399.310 2.509 10 0 GFAELO C[N@@H+]1CCO[C@@H](CNC(=O)N(Cc2cccc(Br)c2)CC2CC2)C1 ZINC000190546799 552500869 /nfs/dbraw/zinc/50/08/69/552500869.db2.gz JFADNZNXMPGLLO-KRWDZBQOSA-N 1 2 396.329 2.701 10 0 GFAELO C[N@H+]1CCO[C@@H](CNC(=O)N(Cc2cccc(Br)c2)CC2CC2)C1 ZINC000190546799 552500872 /nfs/dbraw/zinc/50/08/72/552500872.db2.gz JFADNZNXMPGLLO-KRWDZBQOSA-N 1 2 396.329 2.701 10 0 GFAELO CC(C)n1cc[nH+]c1C[S@](=O)CC(=O)NCCOc1ccc(Cl)cc1 ZINC000194262906 553015921 /nfs/dbraw/zinc/01/59/21/553015921.db2.gz WKSFCMTTXKIWLV-VWLOTQADSA-N 1 2 383.901 2.561 10 0 GFAELO Cc1cc(SCC(=O)NC[C@@H]2C[N@H+](C)CCO2)c(C)cc1Br ZINC000194626452 553025690 /nfs/dbraw/zinc/02/56/90/553025690.db2.gz RRJIHQMNGVQGJH-CYBMUJFWSA-N 1 2 387.343 2.605 10 0 GFAELO Cc1cc(SCC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c(C)cc1Br ZINC000194626452 553025691 /nfs/dbraw/zinc/02/56/91/553025691.db2.gz RRJIHQMNGVQGJH-CYBMUJFWSA-N 1 2 387.343 2.605 10 0 GFAELO NC(=O)[C@@H](c1cccc(Br)c1)N1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000245723795 553095450 /nfs/dbraw/zinc/09/54/50/553095450.db2.gz BCMHORCHXLTLKJ-CXAGYDPISA-N 1 2 389.297 2.805 10 0 GFAELO Cc1cc(S(=O)(=O)NC[C@@H]2CCn3cc[nH+]c3C2)sc1Br ZINC000328625913 563461781 /nfs/dbraw/zinc/46/17/81/563461781.db2.gz LCZDHKDELMZCPT-SNVBAGLBSA-N 1 2 390.328 2.556 10 0 GFAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(Cl)c(Cl)n2C)nc[nH+]1 ZINC000173425890 655171417 /nfs/dbraw/zinc/17/14/17/655171417.db2.gz BEMISNGYHABIAQ-JTQLQIEISA-N 1 2 383.283 2.562 10 0 GFAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(Cl)c(Cl)n2C)[nH+]cn1 ZINC000173425890 655171420 /nfs/dbraw/zinc/17/14/20/655171420.db2.gz BEMISNGYHABIAQ-JTQLQIEISA-N 1 2 383.283 2.562 10 0 GFAELO Cc1ccccc1OCCCN(Cc1cn2c([nH+]1)CCCC2)S(C)(=O)=O ZINC000328618275 206233389 /nfs/dbraw/zinc/23/33/89/206233389.db2.gz DNIKEVYWWYDROE-UHFFFAOYSA-N 1 2 377.510 2.759 10 0 GFAELO O=C(C[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1)NCCn1cccn1 ZINC000014978180 207036747 /nfs/dbraw/zinc/03/67/47/207036747.db2.gz PTWQKJMWELVLMW-OAQYLSRUSA-N 1 2 376.460 2.635 10 0 GFAELO O=C(C[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1)NCCn1cccn1 ZINC000014978180 207036751 /nfs/dbraw/zinc/03/67/51/207036751.db2.gz PTWQKJMWELVLMW-OAQYLSRUSA-N 1 2 376.460 2.635 10 0 GFAELO Cc1nc(C[N@@H+]2CCOC[C@]3(C[C@H](CNc4ncccc4F)CO3)C2)cs1 ZINC000096240477 208294124 /nfs/dbraw/zinc/29/41/24/208294124.db2.gz HXXHTSRZZUJUHL-BEFAXECRSA-N 1 2 392.500 2.705 10 0 GFAELO Cc1nc(C[N@H+]2CCOC[C@]3(C[C@H](CNc4ncccc4F)CO3)C2)cs1 ZINC000096240477 208294133 /nfs/dbraw/zinc/29/41/33/208294133.db2.gz HXXHTSRZZUJUHL-BEFAXECRSA-N 1 2 392.500 2.705 10 0 GFAELO Cc1ccccc1NC(=O)c1cn(-c2cc(N3CCSCC3)[nH+]cn2)cn1 ZINC000065239971 136161066 /nfs/dbraw/zinc/16/10/66/136161066.db2.gz UHWPBIXWSUEQMO-UHFFFAOYSA-N 1 2 380.477 2.776 10 0 GFAELO Nc1nc(N2CCOCC2)cc(-c2cc(NC3CCCC3)nc3[nH]ccc32)[nH+]1 ZINC000072407109 136169473 /nfs/dbraw/zinc/16/94/73/136169473.db2.gz YUKARLTYXHEVLB-UHFFFAOYSA-N 1 2 379.468 2.793 10 0 GFAELO CCc1c[nH+]c(C)nc1N1CCC2(CC(=O)N(Cc3c(C)noc3C)C2)CC1 ZINC000091621297 136176625 /nfs/dbraw/zinc/17/66/25/136176625.db2.gz OIHUTRQUTDOFNM-UHFFFAOYSA-N 1 2 383.496 2.971 10 0 GFAELO CCOCCOc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000153910927 551463057 /nfs/dbraw/zinc/46/30/57/551463057.db2.gz GESIKLNDAIVXAP-QGZVFWFLSA-N 1 2 399.329 2.965 10 0 GFAELO CCOCCOc1ccc(Br)cc1C[N@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000153910927 551463059 /nfs/dbraw/zinc/46/30/59/551463059.db2.gz GESIKLNDAIVXAP-QGZVFWFLSA-N 1 2 399.329 2.965 10 0 GFAELO COCC[N@@H+]1CCN(C(=O)CSc2cccc(Br)c2)C[C@H]1C ZINC000163095150 551616050 /nfs/dbraw/zinc/61/60/50/551616050.db2.gz YVAWHDQNXRCDLX-CYBMUJFWSA-N 1 2 387.343 2.720 10 0 GFAELO COCC[N@H+]1CCN(C(=O)CSc2cccc(Br)c2)C[C@H]1C ZINC000163095150 551616053 /nfs/dbraw/zinc/61/60/53/551616053.db2.gz YVAWHDQNXRCDLX-CYBMUJFWSA-N 1 2 387.343 2.720 10 0 GFAELO COc1ccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)c(Br)c1OC ZINC000171706011 551661398 /nfs/dbraw/zinc/66/13/98/551661398.db2.gz DAQPPEWXKNFAOU-ZDUSSCGKSA-N 1 2 381.274 2.895 10 0 GFAELO COc1ccc(C[N@H+]2CCC[C@H](n3cncn3)C2)c(Br)c1OC ZINC000171706011 551661400 /nfs/dbraw/zinc/66/14/00/551661400.db2.gz DAQPPEWXKNFAOU-ZDUSSCGKSA-N 1 2 381.274 2.895 10 0 GFAELO COC[C@@H](C)NC(=O)NC(=O)C[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000179537897 552195682 /nfs/dbraw/zinc/19/56/82/552195682.db2.gz PFDSOGCVYJHHGH-RKDXNWHRSA-N 1 2 380.247 2.644 10 0 GFAELO COC(=O)C[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)COC(C)(C)C ZINC000191613580 552533594 /nfs/dbraw/zinc/53/35/94/552533594.db2.gz QRYQYNSBXDPUMO-OAHLLOKOSA-N 1 2 388.302 2.600 10 0 GFAELO COC(=O)C[N@H+](Cc1cccc(Br)c1)C[C@@H](O)COC(C)(C)C ZINC000191613580 552533596 /nfs/dbraw/zinc/53/35/96/552533596.db2.gz QRYQYNSBXDPUMO-OAHLLOKOSA-N 1 2 388.302 2.600 10 0 GFAELO C[C@H](Cc1ccc(Br)cc1)C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000245691835 553095498 /nfs/dbraw/zinc/09/54/98/553095498.db2.gz APXJDRRDSMZXDN-IIDMSEBBSA-N 1 2 395.341 2.807 10 0 GFAELO O=S(=O)(CCN1CC[N@@H+]2CCCC[C@H]2C1)c1cc(Cl)ccc1Cl ZINC000248370590 553128751 /nfs/dbraw/zinc/12/87/51/553128751.db2.gz XRQQDSBMYYZXFV-AWEZNQCLSA-N 1 2 377.337 2.937 10 0 GFAELO O=S(=O)(CCN1CC[N@H+]2CCCC[C@H]2C1)c1cc(Cl)ccc1Cl ZINC000248370590 553128752 /nfs/dbraw/zinc/12/87/52/553128752.db2.gz XRQQDSBMYYZXFV-AWEZNQCLSA-N 1 2 377.337 2.937 10 0 GFAELO COC(=O)[C@@]1(C)CCC[N@@H+]1CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000249584444 553144619 /nfs/dbraw/zinc/14/46/19/553144619.db2.gz SMCUBGKXPWJCCK-YVEFUNNKSA-N 1 2 383.286 2.654 10 0 GFAELO COC(=O)[C@@]1(C)CCC[N@H+]1CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000249584444 553144621 /nfs/dbraw/zinc/14/46/21/553144621.db2.gz SMCUBGKXPWJCCK-YVEFUNNKSA-N 1 2 383.286 2.654 10 0 GFAELO CN(Cc1cc(Br)ccc1F)c1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000301224660 563397304 /nfs/dbraw/zinc/39/73/04/563397304.db2.gz CTMSICMQBBFQNW-AWEZNQCLSA-N 1 2 395.276 2.976 10 0 GFAELO CN(Cc1cc(Br)ccc1F)c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000301224660 563397306 /nfs/dbraw/zinc/39/73/06/563397306.db2.gz CTMSICMQBBFQNW-AWEZNQCLSA-N 1 2 395.276 2.976 10 0 GFAELO C[C@@H](CNC(=O)CCCCOc1ccc(Br)cc1)[NH+]1CCOCC1 ZINC000108774839 655137713 /nfs/dbraw/zinc/13/77/13/655137713.db2.gz SVHQRUVIYPFUFB-HNNXBMFYSA-N 1 2 399.329 2.835 10 0 GFAELO O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000173733043 655178386 /nfs/dbraw/zinc/17/83/86/655178386.db2.gz CZNMMQGVHGTYMB-LBPRGKRZSA-N 1 2 375.372 2.635 10 0 GFAELO Cc1cc(F)ccc1-n1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[NH2+]CC3)cc21 ZINC000005930755 206292786 /nfs/dbraw/zinc/29/27/86/206292786.db2.gz NFNPWHFEELPBON-UHFFFAOYSA-N 1 2 399.397 2.685 10 0 GFAELO CCOC(=O)c1n[nH]cc1C[N@@H+]1CCC[C@@H](C(=O)c2ccc(OC)c(F)c2)C1 ZINC000012316592 206883977 /nfs/dbraw/zinc/88/39/77/206883977.db2.gz QIPNBYQTMLHSRL-CQSZACIVSA-N 1 2 389.427 2.829 10 0 GFAELO CCOC(=O)c1n[nH]cc1C[N@H+]1CCC[C@@H](C(=O)c2ccc(OC)c(F)c2)C1 ZINC000012316592 206883982 /nfs/dbraw/zinc/88/39/82/206883982.db2.gz QIPNBYQTMLHSRL-CQSZACIVSA-N 1 2 389.427 2.829 10 0 GFAELO COCC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2nc(C(C)C)no2)CC1 ZINC000071890528 207549613 /nfs/dbraw/zinc/54/96/13/207549613.db2.gz HEGZGVAVYGUOHZ-QGZVFWFLSA-N 1 2 378.517 2.823 10 0 GFAELO CC[C@H]1C[N@H+](CCNC(=O)c2noc3c2CCCC3)Cc2cc(OC)ccc2O1 ZINC000299774413 209086608 /nfs/dbraw/zinc/08/66/08/209086608.db2.gz HPERRRCJVYKVLQ-INIZCTEOSA-N 1 2 399.491 2.965 10 0 GFAELO CC[C@H]1C[N@@H+](CCNC(=O)c2noc3c2CCCC3)Cc2cc(OC)ccc2O1 ZINC000299774413 209086611 /nfs/dbraw/zinc/08/66/11/209086611.db2.gz HPERRRCJVYKVLQ-INIZCTEOSA-N 1 2 399.491 2.965 10 0 GFAELO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000123128434 551303559 /nfs/dbraw/zinc/30/35/59/551303559.db2.gz NLHIAFFWBZXNQM-HIFRSBDPSA-N 1 2 399.304 2.700 10 0 GFAELO C[C@@H](c1cccc(Br)c1)[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000128093256 551346382 /nfs/dbraw/zinc/34/63/82/551346382.db2.gz USOIRTJRUPLDDF-ZDUSSCGKSA-N 1 2 387.285 2.770 10 0 GFAELO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000154512704 551477181 /nfs/dbraw/zinc/47/71/81/551477181.db2.gz JFCUOLVLDSRKHT-RHSMWYFYSA-N 1 2 381.314 2.561 10 0 GFAELO Cc1ncc(C[NH+]2CCN(C(=O)c3ccc(Br)c(O)c3)CC2)s1 ZINC000154819034 551483851 /nfs/dbraw/zinc/48/38/51/551483851.db2.gz LWSRRWGLXUVGSV-UHFFFAOYSA-N 1 2 396.310 2.878 10 0 GFAELO COc1cc[nH+]cc1NC(=O)C(=O)N[C@H](C)c1ccccc1Br ZINC000155348312 551497826 /nfs/dbraw/zinc/49/78/26/551497826.db2.gz XGJIZVBMFINOLO-SNVBAGLBSA-N 1 2 378.226 2.669 10 0 GFAELO CC(C)n1cc[nH+]c1CS(=O)(=O)CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000171675366 551660649 /nfs/dbraw/zinc/66/06/49/551660649.db2.gz NUAJHTNEMZRMGH-ZDUSSCGKSA-N 1 2 383.901 2.910 10 0 GFAELO C[C@@H](Sc1ccc(Br)cc1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172767527 551687209 /nfs/dbraw/zinc/68/72/09/551687209.db2.gz DFZKYHGBHOLFLC-UKRRQHHQSA-N 1 2 399.354 2.863 10 0 GFAELO C[C@@H]1CN(C(=O)c2[nH]c3ccccc3c2Br)C[C@H]1[NH+]1CCOCC1 ZINC000173395878 552085187 /nfs/dbraw/zinc/08/51/87/552085187.db2.gz RCZMTWQMHASMFI-IUODEOHRSA-N 1 2 392.297 2.723 10 0 GFAELO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000173836052 552093621 /nfs/dbraw/zinc/09/36/21/552093621.db2.gz QUOXJAMXZGJSFJ-LBPRGKRZSA-N 1 2 375.372 2.635 10 0 GFAELO C[C@H]1CN(C(=O)CSc2nc3ccccc3s2)C[C@H]1[NH+]1CCOCC1 ZINC000173967968 552096365 /nfs/dbraw/zinc/09/63/65/552096365.db2.gz WUABVHGAYPCCGT-DZGCQCFKSA-N 1 2 377.535 2.568 10 0 GFAELO C[C@H]([NH2+]Cc1csc(CS(C)(=O)=O)n1)c1cccc(-n2ccnc2)c1 ZINC000180657549 552232389 /nfs/dbraw/zinc/23/23/89/552232389.db2.gz MKMOVCGAJULBNU-ZDUSSCGKSA-N 1 2 376.507 2.724 10 0 GFAELO O=C(NCC[NH+]1CCOCC1)[C@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000184780747 552343964 /nfs/dbraw/zinc/34/39/64/552343964.db2.gz KYUJWCFPQHAUNK-DOTOQJQBSA-N 1 2 387.307 2.910 10 0 GFAELO CC(C)[C@](C)(NC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccc(Br)cc1 ZINC000188634249 552450874 /nfs/dbraw/zinc/45/08/74/552450874.db2.gz VHXIOEQBSOLIBO-WMZOPIPTSA-N 1 2 398.345 2.950 10 0 GFAELO CC(C)[C@](C)(NC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccc(Br)cc1 ZINC000188634249 552450875 /nfs/dbraw/zinc/45/08/75/552450875.db2.gz VHXIOEQBSOLIBO-WMZOPIPTSA-N 1 2 398.345 2.950 10 0 GFAELO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000189087740 552462818 /nfs/dbraw/zinc/46/28/18/552462818.db2.gz SWTTVIPYARORPW-ZDUSSCGKSA-N 1 2 377.286 2.654 10 0 GFAELO Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000189087740 552462821 /nfs/dbraw/zinc/46/28/21/552462821.db2.gz SWTTVIPYARORPW-ZDUSSCGKSA-N 1 2 377.286 2.654 10 0 GFAELO Clc1cc(Cl)cc(CC[NH+]2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000194479809 553022008 /nfs/dbraw/zinc/02/20/08/553022008.db2.gz HPMPPSCDDHWCHG-UHFFFAOYSA-N 1 2 377.279 2.796 10 0 GFAELO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(Br)s1 ZINC000252660740 553150424 /nfs/dbraw/zinc/15/04/24/553150424.db2.gz CURLVDKAXXWHNE-QWRGUYRKSA-N 1 2 379.345 2.758 10 0 GFAELO C[C@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(Br)s1 ZINC000252660740 553150425 /nfs/dbraw/zinc/15/04/25/553150425.db2.gz CURLVDKAXXWHNE-QWRGUYRKSA-N 1 2 379.345 2.758 10 0 GFAELO C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000261937225 553162710 /nfs/dbraw/zinc/16/27/10/553162710.db2.gz MJIRAQLBUBVDLA-RNCFNFMXSA-N 1 2 382.283 2.888 10 0 GFAELO CN(Cc1csc(Br)c1)c1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000301285131 563399159 /nfs/dbraw/zinc/39/91/59/563399159.db2.gz ZBKJIRQXPRBWQX-LBPRGKRZSA-N 1 2 383.315 2.898 10 0 GFAELO CN(Cc1csc(Br)c1)c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000301285131 563399163 /nfs/dbraw/zinc/39/91/63/563399163.db2.gz ZBKJIRQXPRBWQX-LBPRGKRZSA-N 1 2 383.315 2.898 10 0 GFAELO C[C@H](c1nnnn1-c1ccccc1)[N@@H+]1CCCN(c2nc3ccccc3[nH]2)CC1 ZINC000084668036 571030234 /nfs/dbraw/zinc/03/02/34/571030234.db2.gz RHBIQXLYXIKMND-MRXNPFEDSA-N 1 2 388.479 2.812 10 0 GFAELO C[C@H](c1nnnn1-c1ccccc1)[N@H+]1CCCN(c2nc3ccccc3[nH]2)CC1 ZINC000084668036 571030236 /nfs/dbraw/zinc/03/02/36/571030236.db2.gz RHBIQXLYXIKMND-MRXNPFEDSA-N 1 2 388.479 2.812 10 0 GFAELO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000036622365 654612553 /nfs/dbraw/zinc/61/25/53/654612553.db2.gz UULCMVZTBCAIHB-GFCCVEGCSA-N 1 2 375.296 2.988 10 0 GFAELO C[C@@H]1C[N@H+](CN2C(=O)C[C@@](C)(c3ccc(Br)cc3)C2=O)CCS1 ZINC000171604944 655152694 /nfs/dbraw/zinc/15/26/94/655152694.db2.gz DMRBTSVWNTWGBS-PXAZEXFGSA-N 1 2 397.338 2.861 10 0 GFAELO C[C@@H]1C[N@@H+](CN2C(=O)C[C@@](C)(c3ccc(Br)cc3)C2=O)CCS1 ZINC000171604944 655152699 /nfs/dbraw/zinc/15/26/99/655152699.db2.gz DMRBTSVWNTWGBS-PXAZEXFGSA-N 1 2 397.338 2.861 10 0 GFAELO CNc1cc(N2CCC[C@H]2CNC(=O)CCc2ccc(Cl)s2)nc[nH+]1 ZINC000173421835 655171263 /nfs/dbraw/zinc/17/12/63/655171263.db2.gz PZJNNVLQEVZRBC-LBPRGKRZSA-N 1 2 379.917 2.951 10 0 GFAELO CNc1cc(N2CCC[C@H]2CNC(=O)CCc2ccc(Cl)s2)[nH+]cn1 ZINC000173421835 655171264 /nfs/dbraw/zinc/17/12/64/655171264.db2.gz PZJNNVLQEVZRBC-LBPRGKRZSA-N 1 2 379.917 2.951 10 0 GFAELO O=C(C[C@@H]1C(=O)NCC[N@H+]1Cc1cccs1)N1CCC(c2ccccc2)CC1 ZINC000015072181 207044232 /nfs/dbraw/zinc/04/42/32/207044232.db2.gz SKXDTONSXBQLOB-HXUWFJFHSA-N 1 2 397.544 2.845 10 0 GFAELO O=C(C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccs1)N1CCC(c2ccccc2)CC1 ZINC000015072181 207044236 /nfs/dbraw/zinc/04/42/36/207044236.db2.gz SKXDTONSXBQLOB-HXUWFJFHSA-N 1 2 397.544 2.845 10 0 GFAELO Cc1cnn(CCNC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)c1 ZINC000135653437 551388512 /nfs/dbraw/zinc/38/85/12/551388512.db2.gz JWNJKPODOIFNID-QGZVFWFLSA-N 1 2 391.313 2.907 10 0 GFAELO C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000154512359 551477035 /nfs/dbraw/zinc/47/70/35/551477035.db2.gz JFCUOLVLDSRKHT-YOEHRIQHSA-N 1 2 381.314 2.561 10 0 GFAELO OC[C@H]1CCCN1c1cc(NC[C@@H](O)c2c(Cl)cccc2Cl)[nH+]cn1 ZINC000156855448 551529526 /nfs/dbraw/zinc/52/95/26/551529526.db2.gz HOMOSBKNEFQNGL-BXUZGUMPSA-N 1 2 383.279 2.890 10 0 GFAELO OC[C@H]1CCCN1c1cc(NC[C@@H](O)c2c(Cl)cccc2Cl)nc[nH+]1 ZINC000156855448 551529529 /nfs/dbraw/zinc/52/95/29/551529529.db2.gz HOMOSBKNEFQNGL-BXUZGUMPSA-N 1 2 383.279 2.890 10 0 GFAELO Brc1ccccc1-c1nnc(C[N@@H+]2CCC[C@H](n3cncn3)C2)o1 ZINC000171528563 551657280 /nfs/dbraw/zinc/65/72/80/551657280.db2.gz BFLZSXZFJOHBAV-LBPRGKRZSA-N 1 2 389.257 2.928 10 0 GFAELO Brc1ccccc1-c1nnc(C[N@H+]2CCC[C@H](n3cncn3)C2)o1 ZINC000171528563 551657283 /nfs/dbraw/zinc/65/72/83/551657283.db2.gz BFLZSXZFJOHBAV-LBPRGKRZSA-N 1 2 389.257 2.928 10 0 GFAELO CC(C)n1cc[nH+]c1CS(=O)(=O)[C@H](C)C(=O)NCc1ccccc1Cl ZINC000171674938 551660833 /nfs/dbraw/zinc/66/08/33/551660833.db2.gz LOSRTWQLXUYIBD-CYBMUJFWSA-N 1 2 383.901 2.737 10 0 GFAELO Cc1nc(C[N@@H+]2CCCN(C(=O)NCCSC(F)(F)F)CC2)cs1 ZINC000172115939 551670776 /nfs/dbraw/zinc/67/07/76/551670776.db2.gz QLPZXNYDTODKAP-UHFFFAOYSA-N 1 2 382.477 2.922 10 0 GFAELO Cc1nc(C[N@H+]2CCCN(C(=O)NCCSC(F)(F)F)CC2)cs1 ZINC000172115939 551670778 /nfs/dbraw/zinc/67/07/78/551670778.db2.gz QLPZXNYDTODKAP-UHFFFAOYSA-N 1 2 382.477 2.922 10 0 GFAELO CC(C)c1[nH+]c2c(n1C)CCN(S(=O)(=O)c1ccc(Cl)nc1Cl)C2 ZINC000172103994 551671059 /nfs/dbraw/zinc/67/10/59/551671059.db2.gz CLVNCFCTRCTHPV-UHFFFAOYSA-N 1 2 389.308 2.992 10 0 GFAELO O=C(CCSc1nc2ccccc2s1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172761286 551686331 /nfs/dbraw/zinc/68/63/31/551686331.db2.gz FVZAEHPSGWVGMX-AWEZNQCLSA-N 1 2 377.535 2.712 10 0 GFAELO Cc1ncc(C[NH+]2CCN(C(=O)Nc3ccc(Br)nc3)CC2)s1 ZINC000178812571 552176053 /nfs/dbraw/zinc/17/60/53/552176053.db2.gz WDENJVZSIUSEAO-UHFFFAOYSA-N 1 2 396.314 2.959 10 0 GFAELO C[C@@H](CN(C)C(=O)NC[C@@H]1C[N@H+](C)CCO1)Oc1ccc(Cl)c(Cl)c1 ZINC000189366107 552469550 /nfs/dbraw/zinc/46/95/50/552469550.db2.gz RZMWRBWCBRUNEX-GXTWGEPZSA-N 1 2 390.311 2.733 10 0 GFAELO C[C@@H](CN(C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1)Oc1ccc(Cl)c(Cl)c1 ZINC000189366107 552469552 /nfs/dbraw/zinc/46/95/52/552469552.db2.gz RZMWRBWCBRUNEX-GXTWGEPZSA-N 1 2 390.311 2.733 10 0 GFAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)N2CCSC[C@@H](C)C2)c2cccs2)CCO1 ZINC000192385636 552561485 /nfs/dbraw/zinc/56/14/85/552561485.db2.gz QVQDDIXXDUMTCN-XHSDSOJGSA-N 1 2 383.583 2.904 10 0 GFAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)N2CCSC[C@@H](C)C2)c2cccs2)CCO1 ZINC000192385636 552561487 /nfs/dbraw/zinc/56/14/87/552561487.db2.gz QVQDDIXXDUMTCN-XHSDSOJGSA-N 1 2 383.583 2.904 10 0 GFAELO C[N@@H+]1CCO[C@H](CNC(=O)C2(c3ccc(Br)cc3)CCCC2)C1 ZINC000194621194 553025703 /nfs/dbraw/zinc/02/57/03/553025703.db2.gz KPGZCXYWYXMWOL-MRXNPFEDSA-N 1 2 381.314 2.708 10 0 GFAELO C[N@H+]1CCO[C@H](CNC(=O)C2(c3ccc(Br)cc3)CCCC2)C1 ZINC000194621194 553025704 /nfs/dbraw/zinc/02/57/04/553025704.db2.gz KPGZCXYWYXMWOL-MRXNPFEDSA-N 1 2 381.314 2.708 10 0 GFAELO CC[C@@H]1CN(S(=O)(=O)c2ccc(SC)c(Cl)c2)CC[N@@H+]1C[C@H](C)O ZINC000248658203 553132752 /nfs/dbraw/zinc/13/27/52/553132752.db2.gz XTBBPUNSINUFDS-QWHCGFSZSA-N 1 2 392.974 2.528 10 0 GFAELO CC[C@@H]1CN(S(=O)(=O)c2ccc(SC)c(Cl)c2)CC[N@H+]1C[C@H](C)O ZINC000248658203 553132753 /nfs/dbraw/zinc/13/27/53/553132753.db2.gz XTBBPUNSINUFDS-QWHCGFSZSA-N 1 2 392.974 2.528 10 0 GFAELO C[C@@H]1C[N@@H+]([C@H](CNc2ncc(C(N)=O)cc2Cl)c2cccs2)CCO1 ZINC000301197325 563395904 /nfs/dbraw/zinc/39/59/04/563395904.db2.gz KTMFVAPQWTULDB-BXUZGUMPSA-N 1 2 380.901 2.769 10 0 GFAELO C[C@@H]1C[N@H+]([C@H](CNc2ncc(C(N)=O)cc2Cl)c2cccs2)CCO1 ZINC000301197325 563395905 /nfs/dbraw/zinc/39/59/05/563395905.db2.gz KTMFVAPQWTULDB-BXUZGUMPSA-N 1 2 380.901 2.769 10 0 GFAELO C[C@@H](CNC(=O)NCC(C)(C)c1cccc(Br)c1)[NH+]1CCOCC1 ZINC000101980887 655049250 /nfs/dbraw/zinc/04/92/50/655049250.db2.gz WTOILPKYXFNJSH-AWEZNQCLSA-N 1 2 398.345 2.747 10 0 GFAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)c3coc(Br)c3)CC2)cn1 ZINC000109664861 655150130 /nfs/dbraw/zinc/15/01/30/655150130.db2.gz INDSQIDWMXUMOU-UHFFFAOYSA-N 1 2 395.301 2.997 10 0 GFAELO CCCn1cc(C[N@H+]2CCCN(C(=O)c3coc(Br)c3)CC2)cn1 ZINC000109664861 655150131 /nfs/dbraw/zinc/15/01/31/655150131.db2.gz INDSQIDWMXUMOU-UHFFFAOYSA-N 1 2 395.301 2.997 10 0 GFAELO C[C@H]1CN(C(=O)c2cc(-c3ccc(Cl)s3)on2)C[C@@H]1[NH+]1CCOCC1 ZINC000173403435 655170047 /nfs/dbraw/zinc/17/00/47/655170047.db2.gz DENRGNPFTZLMHV-AAEUAGOBSA-N 1 2 381.885 2.849 10 0 GFAELO CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2c(Cl)ccc(F)c2Cl)CC1 ZINC000120720380 655343178 /nfs/dbraw/zinc/34/31/78/655343178.db2.gz SHJNYOAZLPUTAT-QWRGUYRKSA-N 1 2 390.286 2.862 10 0 GFAELO O=C(c1ccccn1)N1CCC[C@H](COc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000015004110 210142498 /nfs/dbraw/zinc/14/24/98/210142498.db2.gz RBCLJRYNYJYJCZ-FQEVSTJZSA-N 1 2 395.503 2.845 10 0 GFAELO CCCn1cc(CNC(=O)c2cccc3[nH]cc(C[NH+]4CCOCC4)c32)c(C)n1 ZINC000097937997 211374636 /nfs/dbraw/zinc/37/46/36/211374636.db2.gz UDSCRTVLPKSOTL-UHFFFAOYSA-N 1 2 395.507 2.845 10 0 GFAELO CC(=O)N[C@@H]1CCC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000067377454 551188337 /nfs/dbraw/zinc/18/83/37/551188337.db2.gz WTFAGYRRVMFBAF-OAHLLOKOSA-N 1 2 393.285 2.523 10 0 GFAELO CC(=O)N[C@@H]1CCC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000067377454 551188339 /nfs/dbraw/zinc/18/83/39/551188339.db2.gz WTFAGYRRVMFBAF-OAHLLOKOSA-N 1 2 393.285 2.523 10 0 GFAELO CCn1c2ccc(S(N)(=O)=O)cc2nc1SCc1[nH+]ccn1C(C)C ZINC000107078350 551201519 /nfs/dbraw/zinc/20/15/19/551201519.db2.gz ZIWUFDWCIHZFKV-UHFFFAOYSA-N 1 2 379.511 2.773 10 0 GFAELO C[N@@H+]1CCO[C@H](CNC(=O)c2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000124875271 551318475 /nfs/dbraw/zinc/31/84/75/551318475.db2.gz NXXNQZRGCLULAY-GFCCVEGCSA-N 1 2 381.192 2.528 10 0 GFAELO C[N@H+]1CCO[C@H](CNC(=O)c2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000124875271 551318477 /nfs/dbraw/zinc/31/84/77/551318477.db2.gz NXXNQZRGCLULAY-GFCCVEGCSA-N 1 2 381.192 2.528 10 0 GFAELO C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)C1 ZINC000151304253 551410868 /nfs/dbraw/zinc/41/08/68/551410868.db2.gz IZENEGKUCNPUAH-LLVKDONJSA-N 1 2 381.782 2.733 10 0 GFAELO C[N@H+]1CCO[C@H](CNC(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)C1 ZINC000151304253 551410869 /nfs/dbraw/zinc/41/08/69/551410869.db2.gz IZENEGKUCNPUAH-LLVKDONJSA-N 1 2 381.782 2.733 10 0 GFAELO NC(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000157198146 551534729 /nfs/dbraw/zinc/53/47/29/551534729.db2.gz GTLBPAMGZLOWFH-MRXNPFEDSA-N 1 2 377.286 2.584 10 0 GFAELO CC(C)n1cc[nH+]c1CSc1nnc(-c2cccs2)n1CCC(N)=O ZINC000171678129 551660987 /nfs/dbraw/zinc/66/09/87/551660987.db2.gz XCBFWUPJVZJKEN-UHFFFAOYSA-N 1 2 376.511 2.952 10 0 GFAELO C[C@H]1CN(C(=O)c2cc3c(cccc3Br)[nH]2)C[C@@H]1[NH+]1CCOCC1 ZINC000173807391 552092649 /nfs/dbraw/zinc/09/26/49/552092649.db2.gz DXDMWWZAOWLPEX-SJCJKPOMSA-N 1 2 392.297 2.723 10 0 GFAELO C[C@H]([NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl)C(=O)N(C)CC(=O)NC1CC1 ZINC000173976431 552096306 /nfs/dbraw/zinc/09/63/06/552096306.db2.gz SKTVOZMMZLGZFL-UWVGGRQHSA-N 1 2 390.286 2.909 10 0 GFAELO O=C(c1cc2c(c(Br)c1)OCO2)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177783773 552158786 /nfs/dbraw/zinc/15/87/86/552158786.db2.gz YGGGSOISRBBZST-GFCCVEGCSA-N 1 2 378.226 2.679 10 0 GFAELO CCn1c(C)nnc1C[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000180464256 552226689 /nfs/dbraw/zinc/22/66/89/552226689.db2.gz LSXLNEQEUVASNZ-SNVBAGLBSA-N 1 2 381.274 2.991 10 0 GFAELO Brc1ccc2nc(C[N@@H+]3CCC[C@@H](Cn4cncn4)C3)[nH]c2c1 ZINC000184971736 552349521 /nfs/dbraw/zinc/34/95/21/552349521.db2.gz OYGKBQSRNWFCAI-GFCCVEGCSA-N 1 2 375.274 2.829 10 0 GFAELO Brc1ccc2nc(C[N@H+]3CCC[C@@H](Cn4cncn4)C3)[nH]c2c1 ZINC000184971736 552349523 /nfs/dbraw/zinc/34/95/23/552349523.db2.gz OYGKBQSRNWFCAI-GFCCVEGCSA-N 1 2 375.274 2.829 10 0 GFAELO CCCCOC[C@@H](O)C[NH+]1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000193373921 552991545 /nfs/dbraw/zinc/99/15/45/552991545.db2.gz PRGPFHJOEWTAEB-AWEZNQCLSA-N 1 2 389.323 2.929 10 0 GFAELO NC(=O)[C@@H](c1cccc(Br)c1)[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000245808612 553097799 /nfs/dbraw/zinc/09/77/99/553097799.db2.gz QMHLDTBHZJHLJO-HZPDHXFCSA-N 1 2 376.254 2.524 10 0 GFAELO NC(=O)[C@@H](c1cccc(Br)c1)[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000245808612 553097800 /nfs/dbraw/zinc/09/78/00/553097800.db2.gz QMHLDTBHZJHLJO-HZPDHXFCSA-N 1 2 376.254 2.524 10 0 GFAELO C[C@@H](C(=O)Nc1nccs1)[N@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000247548100 553124084 /nfs/dbraw/zinc/12/40/84/553124084.db2.gz DRJWFTUJVNRRRX-UONOGXRCSA-N 1 2 380.539 2.537 10 0 GFAELO C[C@@H](C(=O)Nc1nccs1)[N@@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000247548100 553124085 /nfs/dbraw/zinc/12/40/85/553124085.db2.gz DRJWFTUJVNRRRX-UONOGXRCSA-N 1 2 380.539 2.537 10 0 GFAELO NC(=O)[C@H](c1cccc(Br)c1)[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249598614 553144736 /nfs/dbraw/zinc/14/47/36/553144736.db2.gz XMRKSGFKCPVKPB-BPUTZDHNSA-N 1 2 395.322 2.745 10 0 GFAELO NC(=O)[C@H](c1cccc(Br)c1)[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249598614 553144740 /nfs/dbraw/zinc/14/47/40/553144740.db2.gz XMRKSGFKCPVKPB-BPUTZDHNSA-N 1 2 395.322 2.745 10 0 GFAELO CN(CCc1ccc(Br)cc1)c1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000301214574 563396576 /nfs/dbraw/zinc/39/65/76/563396576.db2.gz ZFALPIUXXXFTMG-INIZCTEOSA-N 1 2 391.313 2.879 10 0 GFAELO CN(CCc1ccc(Br)cc1)c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000301214574 563396577 /nfs/dbraw/zinc/39/65/77/563396577.db2.gz ZFALPIUXXXFTMG-INIZCTEOSA-N 1 2 391.313 2.879 10 0 GFAELO COC1(c2nc(-c3ccccn3)no2)CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000566810714 570947576 /nfs/dbraw/zinc/94/75/76/570947576.db2.gz QXVWUZMSOYFFFI-UHFFFAOYSA-N 1 2 393.447 2.708 10 0 GFAELO C[C@H]1CN(C(=O)c2cc(Cl)ccc2Br)C[C@H]1[NH+]1CCOCC1 ZINC000173401918 655170052 /nfs/dbraw/zinc/17/00/52/655170052.db2.gz VQDLXHMOGNEBLA-XHDPSFHLSA-N 1 2 387.705 2.895 10 0 GFAELO O=C(c1ccc(F)c(I)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000119782295 655314946 /nfs/dbraw/zinc/31/49/46/655314946.db2.gz BUGBNSWDFJRWIE-GFCCVEGCSA-N 1 2 399.207 2.932 10 0 GFAELO Cc1csc([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3sccc3C(N)=O)C2)n1 ZINC000249869290 655434797 /nfs/dbraw/zinc/43/47/97/655434797.db2.gz JAGWQFKFLDLRSC-NEPJUHHUSA-N 1 2 378.523 2.819 10 0 GFAELO Cc1csc([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3sccc3C(N)=O)C2)n1 ZINC000249869290 655434798 /nfs/dbraw/zinc/43/47/98/655434798.db2.gz JAGWQFKFLDLRSC-NEPJUHHUSA-N 1 2 378.523 2.819 10 0 GFAELO O=C(CC[C@@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1)NCCc1ccccn1 ZINC000065245212 136161382 /nfs/dbraw/zinc/16/13/82/136161382.db2.gz GKOITVYSWDQAIF-KRWDZBQOSA-N 1 2 394.523 2.801 10 0 GFAELO O=C(CC[C@@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1)NCCc1ccccn1 ZINC000065245212 136161383 /nfs/dbraw/zinc/16/13/83/136161383.db2.gz GKOITVYSWDQAIF-KRWDZBQOSA-N 1 2 394.523 2.801 10 0 GFAELO OC[C@@H]1CCCN1c1cc(NCCOc2ccc(Br)cc2)[nH+]cn1 ZINC000110333452 551204119 /nfs/dbraw/zinc/20/41/19/551204119.db2.gz SYNNWXKJHWRTSP-AWEZNQCLSA-N 1 2 393.285 2.691 10 0 GFAELO OC[C@@H]1CCCN1c1cc(NCCOc2ccc(Br)cc2)nc[nH+]1 ZINC000110333452 551204120 /nfs/dbraw/zinc/20/41/20/551204120.db2.gz SYNNWXKJHWRTSP-AWEZNQCLSA-N 1 2 393.285 2.691 10 0 GFAELO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](c3cnn(C)c3)C2)c(Br)c1 ZINC000116311138 551211737 /nfs/dbraw/zinc/21/17/37/551211737.db2.gz OZAJTISZZCLNJR-ZDUSSCGKSA-N 1 2 377.286 2.919 10 0 GFAELO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c(Br)c1 ZINC000116311138 551211740 /nfs/dbraw/zinc/21/17/40/551211740.db2.gz OZAJTISZZCLNJR-ZDUSSCGKSA-N 1 2 377.286 2.919 10 0 GFAELO CSC[C@H]1CCCN1C(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000153721765 551459091 /nfs/dbraw/zinc/45/90/91/551459091.db2.gz LHLDIRXFBRFCDS-CVEARBPZSA-N 1 2 383.583 2.967 10 0 GFAELO Brc1cc2c(cc1C[N@@H+]1CCC[C@H](n3cncn3)C1)OCCO2 ZINC000171703964 551661321 /nfs/dbraw/zinc/66/13/21/551661321.db2.gz ROPLFUDLRKUDHZ-ZDUSSCGKSA-N 1 2 379.258 2.649 10 0 GFAELO Brc1cc2c(cc1C[N@H+]1CCC[C@H](n3cncn3)C1)OCCO2 ZINC000171703964 551661322 /nfs/dbraw/zinc/66/13/22/551661322.db2.gz ROPLFUDLRKUDHZ-ZDUSSCGKSA-N 1 2 379.258 2.649 10 0 GFAELO CC(C)(C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000172764543 551686220 /nfs/dbraw/zinc/68/62/20/551686220.db2.gz HFABUNVKARPZDD-INIZCTEOSA-N 1 2 381.314 2.660 10 0 GFAELO O=C(c1cc2cc(Br)ccc2o1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172750489 551686303 /nfs/dbraw/zinc/68/63/03/551686303.db2.gz LGPVOAVHPIODIS-AWEZNQCLSA-N 1 2 379.254 2.742 10 0 GFAELO CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172749384 551686481 /nfs/dbraw/zinc/68/64/81/551686481.db2.gz PJYHGXXSTTXSRD-FUHWJXTLSA-N 1 2 395.341 2.951 10 0 GFAELO C[C@@H]1CN(C(=O)c2cc3c(cccc3Br)[nH]2)C[C@@H]1[NH+]1CCOCC1 ZINC000173807379 552092723 /nfs/dbraw/zinc/09/27/23/552092723.db2.gz DXDMWWZAOWLPEX-PXAZEXFGSA-N 1 2 392.297 2.723 10 0 GFAELO C[N@@H+]1CCO[C@@H](CNC(=O)CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000175907419 552131781 /nfs/dbraw/zinc/13/17/81/552131781.db2.gz BIKLQSWMRHWPAX-AWEZNQCLSA-N 1 2 379.913 2.817 10 0 GFAELO C[N@H+]1CCO[C@@H](CNC(=O)CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000175907419 552131783 /nfs/dbraw/zinc/13/17/83/552131783.db2.gz BIKLQSWMRHWPAX-AWEZNQCLSA-N 1 2 379.913 2.817 10 0 GFAELO O=C(c1ccccc1I)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177781881 552158863 /nfs/dbraw/zinc/15/88/63/552158863.db2.gz YKAIJIKYQFKOQJ-GFCCVEGCSA-N 1 2 381.217 2.793 10 0 GFAELO Cc1c(Br)ccc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1F ZINC000194202814 553014578 /nfs/dbraw/zinc/01/45/78/553014578.db2.gz AVFQURHCGHZZKT-LBPRGKRZSA-N 1 2 386.265 2.835 10 0 GFAELO Cc1cc(Cc2cnc(NC(=O)[C@H]3COCC[NH2+]3)s2)ccc1Br ZINC000237779182 553081828 /nfs/dbraw/zinc/08/18/28/553081828.db2.gz HBXVOVPZFPCXOQ-CQSZACIVSA-N 1 2 396.310 2.732 10 0 GFAELO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000246393174 553106986 /nfs/dbraw/zinc/10/69/86/553106986.db2.gz IYOQXPZTXKULRJ-HOTGVXAUSA-N 1 2 382.302 2.626 10 0 GFAELO C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000246393174 553106990 /nfs/dbraw/zinc/10/69/90/553106990.db2.gz IYOQXPZTXKULRJ-HOTGVXAUSA-N 1 2 382.302 2.626 10 0 GFAELO Cc1noc(Cl)c1CC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000246960965 553116278 /nfs/dbraw/zinc/11/62/78/553116278.db2.gz PPISRMJSQKJYPH-FZMZJTMJSA-N 1 2 383.901 2.819 10 0 GFAELO Cc1noc(Cl)c1CC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000246960965 553116280 /nfs/dbraw/zinc/11/62/80/553116280.db2.gz PPISRMJSQKJYPH-FZMZJTMJSA-N 1 2 383.901 2.819 10 0 GFAELO O=C1[C@@H]([N@@H+]2CC[C@@H](N3CCOCC3)C2)CCN1c1ccc(Cl)cc1Cl ZINC000249032567 553137904 /nfs/dbraw/zinc/13/79/04/553137904.db2.gz FLSKVZOUUKPXIR-PBHICJAKSA-N 1 2 384.307 2.505 10 0 GFAELO O=C1[C@@H]([N@H+]2CC[C@@H](N3CCOCC3)C2)CCN1c1ccc(Cl)cc1Cl ZINC000249032567 553137906 /nfs/dbraw/zinc/13/79/06/553137906.db2.gz FLSKVZOUUKPXIR-PBHICJAKSA-N 1 2 384.307 2.505 10 0 GFAELO O=C1[C@@H](N2CC[C@@H]([NH+]3CCOCC3)C2)CCN1c1ccc(Cl)cc1Cl ZINC000249032567 553137907 /nfs/dbraw/zinc/13/79/07/553137907.db2.gz FLSKVZOUUKPXIR-PBHICJAKSA-N 1 2 384.307 2.505 10 0 GFAELO C[C@H]1C[N@@H+]([C@H](CNc2ncc(C(N)=O)cc2Cl)c2cccs2)CCO1 ZINC000301197327 563395866 /nfs/dbraw/zinc/39/58/66/563395866.db2.gz KTMFVAPQWTULDB-SMDDNHRTSA-N 1 2 380.901 2.769 10 0 GFAELO C[C@H]1C[N@H+]([C@H](CNc2ncc(C(N)=O)cc2Cl)c2cccs2)CCO1 ZINC000301197327 563395868 /nfs/dbraw/zinc/39/58/68/563395868.db2.gz KTMFVAPQWTULDB-SMDDNHRTSA-N 1 2 380.901 2.769 10 0 GFAELO COc1ccc(Br)cc1CNc1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000301236636 563397145 /nfs/dbraw/zinc/39/71/45/563397145.db2.gz KNPXQPDAQSTRMU-AWEZNQCLSA-N 1 2 393.285 2.821 10 0 GFAELO COc1ccc(Br)cc1CNc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000301236636 563397147 /nfs/dbraw/zinc/39/71/47/563397147.db2.gz KNPXQPDAQSTRMU-AWEZNQCLSA-N 1 2 393.285 2.821 10 0 GFAELO CN(C)C(=O)[C@@H]1C[C@@H](Sc2nccn2C)C[N@@H+]1Cc1cc(F)ccc1F ZINC000064084021 570753624 /nfs/dbraw/zinc/75/36/24/570753624.db2.gz SHFRQUNZGYGRAN-ZBFHGGJFSA-N 1 2 380.464 2.522 10 0 GFAELO CN(C)C(=O)[C@@H]1C[C@@H](Sc2nccn2C)C[N@H+]1Cc1cc(F)ccc1F ZINC000064084021 570753627 /nfs/dbraw/zinc/75/36/27/570753627.db2.gz SHFRQUNZGYGRAN-ZBFHGGJFSA-N 1 2 380.464 2.522 10 0 GFAELO Cc1nc(CN2CCC[N@H+](Cc3cc(F)ccc3Br)CC2)no1 ZINC000106146458 655104190 /nfs/dbraw/zinc/10/41/90/655104190.db2.gz JMJNVIKXFWCVCG-UHFFFAOYSA-N 1 2 383.265 2.988 10 0 GFAELO Cc1nc(CN2CCC[N@@H+](Cc3cc(F)ccc3Br)CC2)no1 ZINC000106146458 655104193 /nfs/dbraw/zinc/10/41/93/655104193.db2.gz JMJNVIKXFWCVCG-UHFFFAOYSA-N 1 2 383.265 2.988 10 0 GFAELO O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000173728228 655177823 /nfs/dbraw/zinc/17/78/23/655177823.db2.gz HOBVDVKNFVZKCU-NSHDSACASA-N 1 2 377.363 2.894 10 0 GFAELO Cc1ncc(S(=O)(=O)N2CCC3(C[C@H]3[N@H+](C)Cc3nccs3)CC2)s1 ZINC000374745145 655401755 /nfs/dbraw/zinc/40/17/55/655401755.db2.gz UNTSTDBNZKCAMG-CYBMUJFWSA-N 1 2 398.579 2.583 10 0 GFAELO Cc1ncc(S(=O)(=O)N2CCC3(C[C@H]3[N@@H+](C)Cc3nccs3)CC2)s1 ZINC000374745145 655401757 /nfs/dbraw/zinc/40/17/57/655401757.db2.gz UNTSTDBNZKCAMG-CYBMUJFWSA-N 1 2 398.579 2.583 10 0 GFAELO Cn1c[nH+]cc1[C@@H]1C[C@@H](NS(=O)(=O)/C=C\c2ccccc2Cl)CCO1 ZINC000886085710 663103092 /nfs/dbraw/zinc/10/30/92/663103092.db2.gz LDJKOPWESWEDBH-PSXDXFIYSA-N 1 2 381.885 2.884 10 0 GFAELO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)N1CC[C@](O)(c2ccccc2)C1 ZINC000299776071 212034987 /nfs/dbraw/zinc/03/49/87/212034987.db2.gz MWYUEPCPKUSFFS-JOCHJYFZSA-N 1 2 381.476 2.644 10 0 GFAELO CO[C@H]1C[C@@H](CO)[N@H+](Cc2cc(Cl)ccc2I)C1 ZINC000405310147 563539012 /nfs/dbraw/zinc/53/90/12/563539012.db2.gz SOIJQGKJEHCITL-RYUDHWBXSA-N 1 2 381.641 2.526 10 0 GFAELO CO[C@H]1C[C@@H](CO)[N@@H+](Cc2cc(Cl)ccc2I)C1 ZINC000405310147 563539013 /nfs/dbraw/zinc/53/90/13/563539013.db2.gz SOIJQGKJEHCITL-RYUDHWBXSA-N 1 2 381.641 2.526 10 0 GFAELO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000123128221 551303680 /nfs/dbraw/zinc/30/36/80/551303680.db2.gz NLHIAFFWBZXNQM-ZFWWWQNUSA-N 1 2 399.304 2.700 10 0 GFAELO CC(C)c1[nH+]c2c(n1C)CCN(S(=O)(=O)c1cnc(Cl)c(Cl)c1)C2 ZINC000158915093 551558490 /nfs/dbraw/zinc/55/84/90/551558490.db2.gz FNIXGAJXOKGRIZ-UHFFFAOYSA-N 1 2 389.308 2.992 10 0 GFAELO CCOCC[N@@H+]1CCN(C(=O)c2cc3sc(N(C)C)nc3s2)C[C@H]1C ZINC000172217539 551673702 /nfs/dbraw/zinc/67/37/02/551673702.db2.gz DBSDXHFOVAHBLM-GFCCVEGCSA-N 1 2 382.555 2.607 10 0 GFAELO CCOCC[N@H+]1CCN(C(=O)c2cc3sc(N(C)C)nc3s2)C[C@H]1C ZINC000172217539 551673703 /nfs/dbraw/zinc/67/37/03/551673703.db2.gz DBSDXHFOVAHBLM-GFCCVEGCSA-N 1 2 382.555 2.607 10 0 GFAELO CCc1cnc(CCNC(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)s1 ZINC000173391955 552085148 /nfs/dbraw/zinc/08/51/48/552085148.db2.gz GKFISEDDUPFRBZ-UHFFFAOYSA-N 1 2 379.555 2.540 10 0 GFAELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)c1cc(N)nc(Cl)c1 ZINC000176538319 552140890 /nfs/dbraw/zinc/14/08/90/552140890.db2.gz GYVBEOSYDRCVEJ-CYBMUJFWSA-N 1 2 380.901 2.524 10 0 GFAELO CC(=O)N[C@H]1CCCN(C(=O)C[NH2+][C@H](C)c2c(Cl)ccc(F)c2Cl)C1 ZINC000179540364 552196075 /nfs/dbraw/zinc/19/60/75/552196075.db2.gz GEQMOAOACNWTMF-PWSUYJOCSA-N 1 2 390.286 2.910 10 0 GFAELO C[C@@H]([NH2+][C@@H](C)c1nc(-c2cccs2)no1)c1ccc(S(N)(=O)=O)cc1 ZINC000181565743 552261110 /nfs/dbraw/zinc/26/11/10/552261110.db2.gz MGJPODKIOYHMPQ-MNOVXSKESA-N 1 2 378.479 2.857 10 0 GFAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC(c3ccccc3Br)CC2)C1 ZINC000187497859 552416955 /nfs/dbraw/zinc/41/69/55/552416955.db2.gz FDVPWNBKCIPFPG-OAHLLOKOSA-N 1 2 396.329 2.669 10 0 GFAELO C[N@H+]1CCO[C@H](CNC(=O)N2CCC(c3ccccc3Br)CC2)C1 ZINC000187497859 552416957 /nfs/dbraw/zinc/41/69/57/552416957.db2.gz FDVPWNBKCIPFPG-OAHLLOKOSA-N 1 2 396.329 2.669 10 0 GFAELO Cc1ccc([C@@H](CNC(=O)N2CCSCC[C@@H]2C)[NH+]2CCOCC2)s1 ZINC000189444231 552472097 /nfs/dbraw/zinc/47/20/97/552472097.db2.gz HUYZMCXBUKRCBM-GOEBONIOSA-N 1 2 383.583 2.967 10 0 GFAELO CCOc1ccc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1Br ZINC000189491432 552473158 /nfs/dbraw/zinc/47/31/58/552473158.db2.gz CLUUMYZUIGTDIF-AWEZNQCLSA-N 1 2 398.301 2.786 10 0 GFAELO Cn1cc(C[N@@H+]2CCCN(C(=O)c3cccc(Br)c3F)CC2)cn1 ZINC000192068581 552548826 /nfs/dbraw/zinc/54/88/26/552548826.db2.gz UCKMXWDMEAZTPC-UHFFFAOYSA-N 1 2 395.276 2.670 10 0 GFAELO Cn1cc(C[N@H+]2CCCN(C(=O)c3cccc(Br)c3F)CC2)cn1 ZINC000192068581 552548828 /nfs/dbraw/zinc/54/88/28/552548828.db2.gz UCKMXWDMEAZTPC-UHFFFAOYSA-N 1 2 395.276 2.670 10 0 GFAELO CCn1cc[nH+]c1CS(=O)(=O)c1nnc(-c2ccc(Cl)cc2)n1CC ZINC000195094968 553037908 /nfs/dbraw/zinc/03/79/08/553037908.db2.gz YOBRPKLHFBDROI-UHFFFAOYSA-N 1 2 379.873 2.809 10 0 GFAELO C[C@H](Cc1ccc(Br)cc1)C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000245691846 553095550 /nfs/dbraw/zinc/09/55/50/553095550.db2.gz APXJDRRDSMZXDN-RVKKMQEKSA-N 1 2 395.341 2.807 10 0 GFAELO Cc1csc(CNC(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)n1 ZINC000247098883 553118707 /nfs/dbraw/zinc/11/87/07/553118707.db2.gz WDILXLCAOZPAAB-UONOGXRCSA-N 1 2 380.539 2.774 10 0 GFAELO Cc1csc(CNC(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)n1 ZINC000247098883 553118709 /nfs/dbraw/zinc/11/87/09/553118709.db2.gz WDILXLCAOZPAAB-UONOGXRCSA-N 1 2 380.539 2.774 10 0 GFAELO O=S(=O)(c1c(Cl)cccc1Br)N1CCn2cc[nH+]c2C1 ZINC000312408567 563436553 /nfs/dbraw/zinc/43/65/53/563436553.db2.gz WPWLYPIJNZLANS-UHFFFAOYSA-N 1 2 376.663 2.504 10 0 GFAELO CN(C)c1ccc(N[C@H]2CCCN(C(=O)[C@H]3CSCCS3)CC2)c[nH+]1 ZINC000328633733 563461752 /nfs/dbraw/zinc/46/17/52/563461752.db2.gz MGBQDXDFERSSGN-GOEBONIOSA-N 1 2 380.583 2.789 10 0 GFAELO COc1cc(OC)c(NC(=O)Nc2c[nH+]c(N(C)C)nc2N(C)C)cc1Cl ZINC000224140210 570423051 /nfs/dbraw/zinc/42/30/51/570423051.db2.gz PPLZHXXHSXHKRE-UHFFFAOYSA-N 1 2 394.863 2.923 10 0 GFAELO C[N@@H+]1CCO[C@H](CNC(=O)C(C)(C)Sc2ccc(Br)cc2)C1 ZINC000134721336 655002072 /nfs/dbraw/zinc/00/20/72/655002072.db2.gz CGAVPFXKRGJJAZ-CYBMUJFWSA-N 1 2 387.343 2.767 10 0 GFAELO C[N@H+]1CCO[C@H](CNC(=O)C(C)(C)Sc2ccc(Br)cc2)C1 ZINC000134721336 655002075 /nfs/dbraw/zinc/00/20/75/655002075.db2.gz CGAVPFXKRGJJAZ-CYBMUJFWSA-N 1 2 387.343 2.767 10 0 GFAELO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000104797641 655087015 /nfs/dbraw/zinc/08/70/15/655087015.db2.gz IYOQXPZTXKULRJ-JKSUJKDBSA-N 1 2 382.302 2.626 10 0 GFAELO C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000104797641 655087019 /nfs/dbraw/zinc/08/70/19/655087019.db2.gz IYOQXPZTXKULRJ-JKSUJKDBSA-N 1 2 382.302 2.626 10 0 GFAELO C[C@H](C(=O)Nc1nccs1)[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106161179 655104149 /nfs/dbraw/zinc/10/41/49/655104149.db2.gz DRJWFTUJVNRRRX-KGLIPLIRSA-N 1 2 380.539 2.537 10 0 GFAELO C[C@H](C(=O)Nc1nccs1)[N@@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106161179 655104154 /nfs/dbraw/zinc/10/41/54/655104154.db2.gz DRJWFTUJVNRRRX-KGLIPLIRSA-N 1 2 380.539 2.537 10 0 GFAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)c3ccc(Br)o3)CC2)cn1 ZINC000109665439 655150143 /nfs/dbraw/zinc/15/01/43/655150143.db2.gz NHXQPYABOJOSHB-UHFFFAOYSA-N 1 2 395.301 2.997 10 0 GFAELO CCCn1cc(C[N@H+]2CCCN(C(=O)c3ccc(Br)o3)CC2)cn1 ZINC000109665439 655150145 /nfs/dbraw/zinc/15/01/45/655150145.db2.gz NHXQPYABOJOSHB-UHFFFAOYSA-N 1 2 395.301 2.997 10 0 GFAELO COCc1c(Br)cccc1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173899470 655184158 /nfs/dbraw/zinc/18/41/58/655184158.db2.gz WQVJSDFRJHSEBW-CYBMUJFWSA-N 1 2 398.301 2.534 10 0 GFAELO O=C(N[C@@H]1CCc2c1cccc2Br)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173908028 655184810 /nfs/dbraw/zinc/18/48/10/655184810.db2.gz XJCKUEMSTWWBQH-SUMWQHHRSA-N 1 2 394.313 2.553 10 0 GFAELO O=C(C[C@H]1C(=O)NCC[N@H+]1C/C=C/c1ccccc1)NC1(c2ccccc2)CC1 ZINC000015073434 210150355 /nfs/dbraw/zinc/15/03/55/210150355.db2.gz WBTNXKPFBXAIII-CLNPQZTCSA-N 1 2 389.499 2.696 10 0 GFAELO O=C(C[C@H]1C(=O)NCC[N@@H+]1C/C=C/c1ccccc1)NC1(c2ccccc2)CC1 ZINC000015073434 210150358 /nfs/dbraw/zinc/15/03/58/210150358.db2.gz WBTNXKPFBXAIII-CLNPQZTCSA-N 1 2 389.499 2.696 10 0 GFAELO C[C@H](C[NH+]1CCN([C@H]2Cc3ccccc3C[C@@H]2O)CC1)C(=O)c1ccccc1 ZINC000022032922 209237095 /nfs/dbraw/zinc/23/70/95/209237095.db2.gz SZDLYOHKAVLHRP-LEOXJPRUSA-N 1 2 378.516 2.651 10 0 GFAELO O=C(N[C@H](CO)c1ccccc1)c1cc(C[N@@H+]2CCc3ccccc3C2)on1 ZINC000067921058 211029951 /nfs/dbraw/zinc/02/99/51/211029951.db2.gz PZFNKYQAGAQKLM-OAQYLSRUSA-N 1 2 377.444 2.696 10 0 GFAELO O=C(N[C@H](CO)c1ccccc1)c1cc(C[N@H+]2CCc3ccccc3C2)on1 ZINC000067921058 211029955 /nfs/dbraw/zinc/02/99/55/211029955.db2.gz PZFNKYQAGAQKLM-OAQYLSRUSA-N 1 2 377.444 2.696 10 0 GFAELO Cc1ccccc1CN1CC[N@H+](Cc2cc(=O)c3ccccc3[nH]2)C[C@@H]1CCO ZINC000020454616 210335270 /nfs/dbraw/zinc/33/52/70/210335270.db2.gz RGMIXGGFKWQJFR-NRFANRHFSA-N 1 2 391.515 2.905 10 0 GFAELO Cc1ccccc1CN1CC[N@@H+](Cc2cc(=O)c3ccccc3[nH]2)C[C@@H]1CCO ZINC000020454616 210335273 /nfs/dbraw/zinc/33/52/73/210335273.db2.gz RGMIXGGFKWQJFR-NRFANRHFSA-N 1 2 391.515 2.905 10 0 GFAELO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000048004006 551155146 /nfs/dbraw/zinc/15/51/46/551155146.db2.gz NMIJTRZAJAPTGC-ZDUSSCGKSA-N 1 2 389.323 2.927 10 0 GFAELO Cc1cc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)sc1Br ZINC000150040360 551399516 /nfs/dbraw/zinc/39/95/16/551399516.db2.gz QEVWLYWLPMSUOT-LLVKDONJSA-N 1 2 379.345 2.678 10 0 GFAELO Cc1cc(S(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)sc1Br ZINC000150040360 551399518 /nfs/dbraw/zinc/39/95/18/551399518.db2.gz QEVWLYWLPMSUOT-LLVKDONJSA-N 1 2 379.345 2.678 10 0 GFAELO NC(=O)[C@H](c1cccc(Br)c1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000157198042 551535127 /nfs/dbraw/zinc/53/51/27/551535127.db2.gz GTLBPAMGZLOWFH-INIZCTEOSA-N 1 2 377.286 2.584 10 0 GFAELO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000170652061 551636945 /nfs/dbraw/zinc/63/69/45/551636945.db2.gz CZOASCZZNHNPJB-LLVKDONJSA-N 1 2 397.273 2.973 10 0 GFAELO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000170652061 551636946 /nfs/dbraw/zinc/63/69/46/551636946.db2.gz CZOASCZZNHNPJB-LLVKDONJSA-N 1 2 397.273 2.973 10 0 GFAELO CSc1ccc(NC(=O)CN2CC[NH+](Cc3cnc(C)s3)CC2)cc1 ZINC000170941605 551643818 /nfs/dbraw/zinc/64/38/18/551643818.db2.gz YLMVHFFVBOHYDG-UHFFFAOYSA-N 1 2 376.551 2.930 10 0 GFAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NCc2ccc(Cl)s2)CC1 ZINC000172059551 551669654 /nfs/dbraw/zinc/66/96/54/551669654.db2.gz MDTWMTPQPOVLLH-UHFFFAOYSA-N 1 2 381.933 2.779 10 0 GFAELO C[C@@H]1CN(C(=O)c2cc3cc(Br)ccc3[nH]2)C[C@@H]1[NH+]1CCOCC1 ZINC000173395618 552084890 /nfs/dbraw/zinc/08/48/90/552084890.db2.gz BNXPOUUEOBDTPP-PXAZEXFGSA-N 1 2 392.297 2.723 10 0 GFAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](C[C@H](O)c2ccccc2Br)C1 ZINC000189352666 552469184 /nfs/dbraw/zinc/46/91/84/552469184.db2.gz ABOUUFXRRWEIQC-GLQYFDAESA-N 1 2 382.258 2.636 10 0 GFAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](C[C@H](O)c2ccccc2Br)C1 ZINC000189352666 552469188 /nfs/dbraw/zinc/46/91/88/552469188.db2.gz ABOUUFXRRWEIQC-GLQYFDAESA-N 1 2 382.258 2.636 10 0 GFAELO C[C@H](CNC(=O)N(C)[C@H](C)c1ccccc1Br)[NH+]1CCOCC1 ZINC000195056869 553036749 /nfs/dbraw/zinc/03/67/49/553036749.db2.gz VONLXRMHSQWWRH-ZIAGYGMSSA-N 1 2 384.318 2.872 10 0 GFAELO O[C@H](COc1cccc(Br)c1)C[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000249734798 553145634 /nfs/dbraw/zinc/14/56/34/553145634.db2.gz VSEUFGPQDKDPEC-HIFRSBDPSA-N 1 2 380.286 2.792 10 0 GFAELO O[C@H](COc1cccc(Br)c1)C[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000249734798 553145635 /nfs/dbraw/zinc/14/56/35/553145635.db2.gz VSEUFGPQDKDPEC-HIFRSBDPSA-N 1 2 380.286 2.792 10 0 GFAELO Cc1cc(NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)nc(C(C)C)[nH+]1 ZINC000301263414 563398551 /nfs/dbraw/zinc/39/85/51/563398551.db2.gz VQVXLGLESXYTBX-UHFFFAOYSA-N 1 2 380.436 2.882 10 0 GFAELO OC[C@@H]1CCCN1c1cc(NC[C@H](O)c2c(Cl)cccc2Cl)[nH+]cn1 ZINC000301339349 563400872 /nfs/dbraw/zinc/40/08/72/563400872.db2.gz HOMOSBKNEFQNGL-FZMZJTMJSA-N 1 2 383.279 2.890 10 0 GFAELO OC[C@@H]1CCCN1c1cc(NC[C@H](O)c2c(Cl)cccc2Cl)nc[nH+]1 ZINC000301339349 563400873 /nfs/dbraw/zinc/40/08/73/563400873.db2.gz HOMOSBKNEFQNGL-FZMZJTMJSA-N 1 2 383.279 2.890 10 0 GFAELO CNc1nc(NCc2nc3cc(OC)ccc3n2C)[nH+]cc1Br ZINC000302557722 563426993 /nfs/dbraw/zinc/42/69/93/563426993.db2.gz SKCZOQWDXXQMCD-UHFFFAOYSA-N 1 2 377.246 2.788 10 0 GFAELO CNc1nc(N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)[nH+]cc1Br ZINC000302761221 563429805 /nfs/dbraw/zinc/42/98/05/563429805.db2.gz YFLVVOLGUFWMGC-ZDUSSCGKSA-N 1 2 394.248 2.633 10 0 GFAELO CN1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000328616783 563461814 /nfs/dbraw/zinc/46/18/14/563461814.db2.gz CAGQCOWMECTBFO-CQSZACIVSA-N 1 2 389.308 2.535 10 0 GFAELO COCCN=C1Nc2ccccc2C[NH2+][C@]12CCN(C(=O)c1ccc(C)s1)C2 ZINC000065265750 570895582 /nfs/dbraw/zinc/89/55/82/570895582.db2.gz KYLKSKNZOCWZBP-NRFANRHFSA-N 1 2 398.532 2.711 10 0 GFAELO CC[C@H](Cc1ccccc1Br)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000131926058 654922061 /nfs/dbraw/zinc/92/20/61/654922061.db2.gz UPABAGZSILPSDG-LSDHHAIUSA-N 1 2 383.330 2.855 10 0 GFAELO CC[C@H]1CN(C(=O)c2cc(OC)c(Br)s2)CC[N@@H+]1CCOC ZINC000135102485 655009772 /nfs/dbraw/zinc/00/97/72/655009772.db2.gz NNOJNUAMIYCVQE-NSHDSACASA-N 1 2 391.331 2.702 10 0 GFAELO CC[C@H]1CN(C(=O)c2cc(OC)c(Br)s2)CC[N@H+]1CCOC ZINC000135102485 655009775 /nfs/dbraw/zinc/00/97/75/655009775.db2.gz NNOJNUAMIYCVQE-NSHDSACASA-N 1 2 391.331 2.702 10 0 GFAELO CCOc1ccc(Br)cc1NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000102801720 655061315 /nfs/dbraw/zinc/06/13/15/655061315.db2.gz MJRDTPNXDQKMJW-GFCCVEGCSA-N 1 2 386.290 2.690 10 0 GFAELO Cc1cc(S(=O)(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)sc1Br ZINC000176950142 655263488 /nfs/dbraw/zinc/26/34/88/655263488.db2.gz ATEHEKZHTMTTEH-LLVKDONJSA-N 1 2 390.328 2.869 10 0 GFAELO O=S(=O)(/C=C\c1ccc(Br)cc1)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000779882353 656954759 /nfs/dbraw/zinc/95/47/59/656954759.db2.gz WTLHTYNCMHHUNX-APFBBLRHSA-N 1 2 396.310 2.798 10 0 GFAELO CCCNc1cc(N2CCC[C@@H](CCC(=O)NC[C@@H]3CCCO3)C2)nc[nH+]1 ZINC000065244831 535192570 /nfs/dbraw/zinc/19/25/70/535192570.db2.gz VWSXKTFJCNEDFF-IRXDYDNUSA-N 1 2 375.517 2.590 10 0 GFAELO CCCNc1cc(N2CCC[C@@H](CCC(=O)NC[C@@H]3CCCO3)C2)[nH+]cn1 ZINC000065244831 535192574 /nfs/dbraw/zinc/19/25/74/535192574.db2.gz VWSXKTFJCNEDFF-IRXDYDNUSA-N 1 2 375.517 2.590 10 0 GFAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)CSCC(F)(F)F)c2cccs2)CCO1 ZINC000121188306 551229011 /nfs/dbraw/zinc/22/90/11/551229011.db2.gz MOSQLVITBZYYMB-NEPJUHHUSA-N 1 2 382.473 2.922 10 0 GFAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)CSCC(F)(F)F)c2cccs2)CCO1 ZINC000121188306 551229014 /nfs/dbraw/zinc/22/90/14/551229014.db2.gz MOSQLVITBZYYMB-NEPJUHHUSA-N 1 2 382.473 2.922 10 0 GFAELO C[C@@H]1C[N@H+](CC(=O)Nc2cccc(I)c2)CCS1 ZINC000171701974 551661543 /nfs/dbraw/zinc/66/15/43/551661543.db2.gz PYRZIKZHOCPODO-SNVBAGLBSA-N 1 2 376.263 2.667 10 0 GFAELO C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(I)c2)CCS1 ZINC000171701974 551661546 /nfs/dbraw/zinc/66/15/46/551661546.db2.gz PYRZIKZHOCPODO-SNVBAGLBSA-N 1 2 376.263 2.667 10 0 GFAELO C[C@H]1CN(C(=O)C2(c3cccc(Br)c3)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000173817995 552092686 /nfs/dbraw/zinc/09/26/86/552092686.db2.gz BJCOIVUAPXBUQO-YOEHRIQHSA-N 1 2 393.325 2.660 10 0 GFAELO C[C@H]1CN(C(=O)C2(c3ccc(Br)cc3)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000173839561 552093510 /nfs/dbraw/zinc/09/35/10/552093510.db2.gz VKRUVBDDXKABFF-WMLDXEAASA-N 1 2 393.325 2.660 10 0 GFAELO CCn1cc[nH+]c1CS(=O)(=O)Cc1ccc(I)cc1 ZINC000180625569 552231770 /nfs/dbraw/zinc/23/17/70/552231770.db2.gz RKCWGPTUNGJRHY-UHFFFAOYSA-N 1 2 390.246 2.623 10 0 GFAELO C[C@@H]1CN(C(=O)c2cccc(Br)c2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000184077432 552326907 /nfs/dbraw/zinc/32/69/07/552326907.db2.gz NJLXHBSYVWGDDN-RISCZKNCSA-N 1 2 387.705 2.895 10 0 GFAELO O=C(c1csc(Cl)c1)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000191693248 552534792 /nfs/dbraw/zinc/53/47/92/552534792.db2.gz LJDFTJMEZNDJNN-OAHLLOKOSA-N 1 2 380.897 2.599 10 0 GFAELO CCCCOC[C@@H](O)C[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000193370020 552991538 /nfs/dbraw/zinc/99/15/38/552991538.db2.gz KXLGPBHANLJDIR-KRWDZBQOSA-N 1 2 389.323 2.929 10 0 GFAELO CCCCOC[C@H](O)C[NH+]1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000193372659 552991717 /nfs/dbraw/zinc/99/17/17/552991717.db2.gz OOGABEQPEOWEJV-CQSZACIVSA-N 1 2 389.323 2.929 10 0 GFAELO C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCO[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000248543516 553130576 /nfs/dbraw/zinc/13/05/76/553130576.db2.gz CMJRMBOVHJEZPB-UNEWFSDZSA-N 1 2 387.307 2.908 10 0 GFAELO C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCO[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000248543516 553130577 /nfs/dbraw/zinc/13/05/77/553130577.db2.gz CMJRMBOVHJEZPB-UNEWFSDZSA-N 1 2 387.307 2.908 10 0 GFAELO O=S(=O)(NC[C@@H]1CCn2cc[nH+]c2C1)c1cc(C(F)(F)F)ccc1F ZINC000328627561 563461652 /nfs/dbraw/zinc/46/16/52/563461652.db2.gz MXBDEHWDEVIZNO-SNVBAGLBSA-N 1 2 377.363 2.582 10 0 GFAELO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000392906768 563527707 /nfs/dbraw/zinc/52/77/07/563527707.db2.gz XHIQFXHYBYWXGR-CPCISQLKSA-N 1 2 392.091 2.674 10 0 GFAELO CC(=O)N[C@@H]1CCC[N@H+](Cn2nc(-c3ccc(Br)cc3)nc2C)C1 ZINC000111163294 655165824 /nfs/dbraw/zinc/16/58/24/655165824.db2.gz MEULVZRZGJHERW-MRXNPFEDSA-N 1 2 392.301 2.574 10 0 GFAELO CC(=O)N[C@@H]1CCC[N@@H+](Cn2nc(-c3ccc(Br)cc3)nc2C)C1 ZINC000111163294 655165825 /nfs/dbraw/zinc/16/58/25/655165825.db2.gz MEULVZRZGJHERW-MRXNPFEDSA-N 1 2 392.301 2.574 10 0 GFAELO C[C@H](CNC(=O)CCc1cc(Cl)ccc1Br)[NH+]1CCOCC1 ZINC000175977972 655230770 /nfs/dbraw/zinc/23/07/70/655230770.db2.gz ZVQYOFUOKGBWOS-GFCCVEGCSA-N 1 2 389.721 2.872 10 0 GFAELO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177766597 655288051 /nfs/dbraw/zinc/28/80/51/655288051.db2.gz PEDLMCRNGVKWMI-CYBMUJFWSA-N 1 2 381.263 2.611 10 0 GFAELO O=C(Cc1cc(Cl)ccc1Br)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000119108079 655290747 /nfs/dbraw/zinc/29/07/47/655290747.db2.gz MTLQDXACBGJLNR-CQSZACIVSA-N 1 2 387.705 2.578 10 0 GFAELO O=C(C[C@@H]1C(=O)NCC[N@H+]1C/C=C/c1ccccc1)NC1(c2ccccc2)CC1 ZINC000015073435 210150050 /nfs/dbraw/zinc/15/00/50/210150050.db2.gz WBTNXKPFBXAIII-TYOLEZHBSA-N 1 2 389.499 2.696 10 0 GFAELO O=C(C[C@@H]1C(=O)NCC[N@@H+]1C/C=C/c1ccccc1)NC1(c2ccccc2)CC1 ZINC000015073435 210150054 /nfs/dbraw/zinc/15/00/54/210150054.db2.gz WBTNXKPFBXAIII-TYOLEZHBSA-N 1 2 389.499 2.696 10 0 GFAELO Cc1ccc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CC[NH2+]CC4)cc32)c(F)c1 ZINC000005930852 209232897 /nfs/dbraw/zinc/23/28/97/209232897.db2.gz YSBYRJYUZXQXTR-UHFFFAOYSA-N 1 2 399.397 2.685 10 0 GFAELO Cc1ccc(Nc2nc(N3CCOCC3)[nH+]c(N3C[C@@H](C)O[C@@H](C)C3)n2)cc1C ZINC000028218704 209179968 /nfs/dbraw/zinc/17/99/68/209179968.db2.gz NIVBRLITHDHJOQ-CALCHBBNSA-N 1 2 398.511 2.682 10 0 GFAELO CC(C)[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000072121758 211070884 /nfs/dbraw/zinc/07/08/84/211070884.db2.gz LKYSRXKYNABWNG-IBGZPJMESA-N 1 2 386.471 2.698 10 0 GFAELO C[C@@H](CNC(=O)NCC(C)(C)c1ccc(Br)cc1)[NH+]1CCOCC1 ZINC000049130773 551158113 /nfs/dbraw/zinc/15/81/13/551158113.db2.gz XCXUWDCBBZRTBE-AWEZNQCLSA-N 1 2 398.345 2.747 10 0 GFAELO COCC[N@@H+]1CCN(C(=O)CSc2cccc(Br)c2)C[C@@H]1C ZINC000163095254 551616191 /nfs/dbraw/zinc/61/61/91/551616191.db2.gz YVAWHDQNXRCDLX-ZDUSSCGKSA-N 1 2 387.343 2.720 10 0 GFAELO COCC[N@H+]1CCN(C(=O)CSc2cccc(Br)c2)C[C@@H]1C ZINC000163095254 551616194 /nfs/dbraw/zinc/61/61/94/551616194.db2.gz YVAWHDQNXRCDLX-ZDUSSCGKSA-N 1 2 387.343 2.720 10 0 GFAELO C[C@@H]1Cc2cc(S(=O)(=O)N3CCC[C@@H]3Cn3cc[nH+]c3)cc(Cl)c2O1 ZINC000173837147 552093583 /nfs/dbraw/zinc/09/35/83/552093583.db2.gz RSLSXKZWUSZYIX-TZMCWYRMSA-N 1 2 381.885 2.713 10 0 GFAELO COC[C@@H](C)NC(=O)NC(=O)C[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000179537878 552195611 /nfs/dbraw/zinc/19/56/11/552195611.db2.gz PFDSOGCVYJHHGH-BDAKNGLRSA-N 1 2 380.247 2.644 10 0 GFAELO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186273433 552383444 /nfs/dbraw/zinc/38/34/44/552383444.db2.gz HNVDVSGAVPNAQI-BLLLJJGKSA-N 1 2 398.326 2.741 10 0 GFAELO Cc1cnn(C[C@@H]2C[N@H+](CCOc3cc(F)cc(Br)c3)CCO2)c1 ZINC000188962572 552459641 /nfs/dbraw/zinc/45/96/41/552459641.db2.gz WVDDYBBMZVBTSZ-KRWDZBQOSA-N 1 2 398.276 2.873 10 0 GFAELO Cc1cnn(C[C@@H]2C[N@@H+](CCOc3cc(F)cc(Br)c3)CCO2)c1 ZINC000188962572 552459643 /nfs/dbraw/zinc/45/96/43/552459643.db2.gz WVDDYBBMZVBTSZ-KRWDZBQOSA-N 1 2 398.276 2.873 10 0 GFAELO Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000190743418 552507340 /nfs/dbraw/zinc/50/73/40/552507340.db2.gz HHTRPCVRRWGETR-CQSZACIVSA-N 1 2 391.269 2.584 10 0 GFAELO COC(=O)C[N@@H+](Cc1cccc(Br)c1)C[C@H](O)COC(C)(C)C ZINC000191613597 552533679 /nfs/dbraw/zinc/53/36/79/552533679.db2.gz QRYQYNSBXDPUMO-HNNXBMFYSA-N 1 2 388.302 2.600 10 0 GFAELO COC(=O)C[N@H+](Cc1cccc(Br)c1)C[C@H](O)COC(C)(C)C ZINC000191613597 552533681 /nfs/dbraw/zinc/53/36/81/552533681.db2.gz QRYQYNSBXDPUMO-HNNXBMFYSA-N 1 2 388.302 2.600 10 0 GFAELO Cc1ccc([C@H](CNC(=O)N2CCS[C@H](C)CC2)[NH+]2CCOCC2)s1 ZINC000192429135 552563644 /nfs/dbraw/zinc/56/36/44/552563644.db2.gz CDPDWOCWSBCFAY-ZBFHGGJFSA-N 1 2 383.583 2.967 10 0 GFAELO O=S(=O)(c1ccc(Cl)c(Br)c1)N1CCn2cc[nH+]c2C1 ZINC000236071900 553068716 /nfs/dbraw/zinc/06/87/16/553068716.db2.gz JHWRYYSGOHLEEH-UHFFFAOYSA-N 1 2 376.663 2.504 10 0 GFAELO Cc1cc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@H]3C2)sc1Br ZINC000246540710 553109615 /nfs/dbraw/zinc/10/96/15/553109615.db2.gz QEVWLYWLPMSUOT-NSHDSACASA-N 1 2 379.345 2.678 10 0 GFAELO Cc1cc(S(=O)(=O)N2CC[N@H+]3CCCC[C@H]3C2)sc1Br ZINC000246540710 553109618 /nfs/dbraw/zinc/10/96/18/553109618.db2.gz QEVWLYWLPMSUOT-NSHDSACASA-N 1 2 379.345 2.678 10 0 GFAELO CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(F)(F)CN2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000263281098 553185338 /nfs/dbraw/zinc/18/53/38/553185338.db2.gz UGEGBLOHIHQVBC-ZNMIVQPWSA-N 1 2 375.822 2.728 10 0 GFAELO CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC(F)(F)CN2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000263281098 553185340 /nfs/dbraw/zinc/18/53/40/553185340.db2.gz UGEGBLOHIHQVBC-ZNMIVQPWSA-N 1 2 375.822 2.728 10 0 GFAELO COc1ccc(Br)c(C[N@@H+]2CCC[C@@H]([NH+](C)CC(=O)[O-])CC2)c1 ZINC000263562136 553189797 /nfs/dbraw/zinc/18/97/97/553189797.db2.gz CNRZRTKRBSDCLX-CQSZACIVSA-N 1 2 385.302 2.829 10 0 GFAELO COc1ccc(Br)c(C[N@H+]2CCC[C@@H]([NH+](C)CC(=O)[O-])CC2)c1 ZINC000263562136 553189799 /nfs/dbraw/zinc/18/97/99/553189799.db2.gz CNRZRTKRBSDCLX-CQSZACIVSA-N 1 2 385.302 2.829 10 0 GFAELO COc1ccc(Br)c(C[NH+]2CCC[C@@H]([N@H+](C)CC(=O)[O-])CC2)c1 ZINC000263562136 553189801 /nfs/dbraw/zinc/18/98/01/553189801.db2.gz CNRZRTKRBSDCLX-CQSZACIVSA-N 1 2 385.302 2.829 10 0 GFAELO COc1ccc(Br)c(C[NH+]2CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC2)c1 ZINC000263562136 553189804 /nfs/dbraw/zinc/18/98/04/553189804.db2.gz CNRZRTKRBSDCLX-CQSZACIVSA-N 1 2 385.302 2.829 10 0 GFAELO COc1ccc(S(=O)(=O)NC[C@H]2CCn3cc[nH+]c3C2)c(Cl)c1Cl ZINC000328637928 563462506 /nfs/dbraw/zinc/46/25/06/563462506.db2.gz WCNXWELPYZHODA-JTQLQIEISA-N 1 2 390.292 2.739 10 0 GFAELO CC(C)(C)N=C1Nc2ccccc2C[NH2+][C@]12CCN(C(=O)c1ccncc1)C2 ZINC000065265942 570894868 /nfs/dbraw/zinc/89/48/68/570894868.db2.gz BCJSWMNIJKLADF-QFIPXVFZSA-N 1 2 377.492 2.888 10 0 GFAELO C[C@H]1C[N@H+](CC(=O)NCc2nc(-c3ccccc3)no2)Cc2ccccc2O1 ZINC000012080002 570958182 /nfs/dbraw/zinc/95/81/82/570958182.db2.gz SULXGESGOPNFJA-HNNXBMFYSA-N 1 2 378.432 2.636 10 0 GFAELO C[C@H]1C[N@@H+](CC(=O)NCc2nc(-c3ccccc3)no2)Cc2ccccc2O1 ZINC000012080002 570958185 /nfs/dbraw/zinc/95/81/85/570958185.db2.gz SULXGESGOPNFJA-HNNXBMFYSA-N 1 2 378.432 2.636 10 0 GFAELO C[C@@H](CNC(=O)CCSc1ccccc1Br)[NH+]1CCOCC1 ZINC000046745403 654684466 /nfs/dbraw/zinc/68/44/66/654684466.db2.gz VQNUOMCWFSIGEO-ZDUSSCGKSA-N 1 2 387.343 2.768 10 0 GFAELO C[C@H]1C[N@H+](CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)CCS1 ZINC000171606141 655153099 /nfs/dbraw/zinc/15/30/99/655153099.db2.gz HXGBMZRGYFOEJL-MEDUHNTESA-N 1 2 398.326 2.611 10 0 GFAELO C[C@H]1C[N@@H+](CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)CCS1 ZINC000171606141 655153101 /nfs/dbraw/zinc/15/31/01/655153101.db2.gz HXGBMZRGYFOEJL-MEDUHNTESA-N 1 2 398.326 2.611 10 0 GFAELO COc1ccc(C[N@@H+]2CCCN(Cc3noc(C)n3)CC2)cc1Br ZINC000114803592 655229005 /nfs/dbraw/zinc/22/90/05/655229005.db2.gz VJTZVOLOYAYSLX-UHFFFAOYSA-N 1 2 395.301 2.857 10 0 GFAELO COc1ccc(C[N@H+]2CCCN(Cc3noc(C)n3)CC2)cc1Br ZINC000114803592 655229006 /nfs/dbraw/zinc/22/90/06/655229006.db2.gz VJTZVOLOYAYSLX-UHFFFAOYSA-N 1 2 395.301 2.857 10 0 GFAELO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCc3sccc3[C@@H]2c2cccs2)C1 ZINC000114959358 655231202 /nfs/dbraw/zinc/23/12/02/655231202.db2.gz VIYUYURPCFPFMG-SUMWQHHRSA-N 1 2 377.535 2.797 10 0 GFAELO C[N@H+]1CCO[C@@H](CNC(=O)N2CCc3sccc3[C@@H]2c2cccs2)C1 ZINC000114959358 655231203 /nfs/dbraw/zinc/23/12/03/655231203.db2.gz VIYUYURPCFPFMG-SUMWQHHRSA-N 1 2 377.535 2.797 10 0 GFAELO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000177264617 655271771 /nfs/dbraw/zinc/27/17/71/655271771.db2.gz VOLZPUMEKDPVBJ-IGCXYCKISA-N 1 2 386.323 2.973 10 0 GFAELO O=C(C[N@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1)NCCn1cccn1 ZINC000014978177 210138070 /nfs/dbraw/zinc/13/80/70/210138070.db2.gz PTWQKJMWELVLMW-NRFANRHFSA-N 1 2 376.460 2.635 10 0 GFAELO O=C(C[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1)NCCn1cccn1 ZINC000014978177 210138074 /nfs/dbraw/zinc/13/80/74/210138074.db2.gz PTWQKJMWELVLMW-NRFANRHFSA-N 1 2 376.460 2.635 10 0 GFAELO O=c1cc(-c2ccccc2)nc(-c2ccc(OCC[NH+]3CCOCC3)cc2)[nH]1 ZINC000090660643 209236896 /nfs/dbraw/zinc/23/68/96/209236896.db2.gz SIPRJBPDHDXJRW-UHFFFAOYSA-N 1 2 377.444 2.815 10 0 GFAELO CC(=O)Nc1nc(C)c(-c2ccc(S(C)(=O)=O)c(-n3cc[nH+]c3)c2)s1 ZINC000003817550 209229874 /nfs/dbraw/zinc/22/98/74/209229874.db2.gz SQWAXHGWLCYBIN-UHFFFAOYSA-N 1 2 376.463 2.666 10 0 GFAELO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]1C(=O)Nc1ccccc1Oc1cccnc1 ZINC000095503525 211256124 /nfs/dbraw/zinc/25/61/24/211256124.db2.gz XQABAAPOVCVELM-SFHVURJKSA-N 1 2 391.431 2.769 10 0 GFAELO O=C(Cc1c[nH+]c2ccccn12)NCc1cccnc1-n1cnc2ccccc21 ZINC000067713941 211016895 /nfs/dbraw/zinc/01/68/95/211016895.db2.gz AOQNVYHJFPRLBG-UHFFFAOYSA-N 1 2 382.427 2.927 10 0 GFAELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)C[C@@H]1C ZINC000117368752 551214053 /nfs/dbraw/zinc/21/40/53/551214053.db2.gz HHXHMHDTUPSTML-LBPRGKRZSA-N 1 2 381.325 2.725 10 0 GFAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)C[C@@H]1C ZINC000117368752 551214056 /nfs/dbraw/zinc/21/40/56/551214056.db2.gz HHXHMHDTUPSTML-LBPRGKRZSA-N 1 2 381.325 2.725 10 0 GFAELO O=C([C@@H]1COc2ccc(Br)cc21)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000121423053 551234279 /nfs/dbraw/zinc/23/42/79/551234279.db2.gz JVEZABYTMCIRAL-UKRRQHHQSA-N 1 2 376.254 2.813 10 0 GFAELO C[C@H](Sc1nc2ccccc2s1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000126442966 551330089 /nfs/dbraw/zinc/33/00/89/551330089.db2.gz KYTNMWRJGBKJQP-UONOGXRCSA-N 1 2 377.535 2.710 10 0 GFAELO CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000153822571 551461240 /nfs/dbraw/zinc/46/12/40/551461240.db2.gz FLVMLEQSFMWJLZ-CQSZACIVSA-N 1 2 383.286 2.711 10 0 GFAELO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000153822571 551461242 /nfs/dbraw/zinc/46/12/42/551461242.db2.gz FLVMLEQSFMWJLZ-CQSZACIVSA-N 1 2 383.286 2.711 10 0 GFAELO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2cc(Br)ccc2N2CCCC2)C1 ZINC000154578039 551478514 /nfs/dbraw/zinc/47/85/14/551478514.db2.gz OWBBFLCVEGDNCQ-AWEZNQCLSA-N 1 2 397.317 2.501 10 0 GFAELO C[N@H+]1CCO[C@@H](CNC(=O)Nc2cc(Br)ccc2N2CCCC2)C1 ZINC000154578039 551478517 /nfs/dbraw/zinc/47/85/17/551478517.db2.gz OWBBFLCVEGDNCQ-AWEZNQCLSA-N 1 2 397.317 2.501 10 0 GFAELO C[C@H](CNC(=O)c1ccc(Br)c(C(F)(F)F)c1)[NH+]1CCOCC1 ZINC000156514430 551524018 /nfs/dbraw/zinc/52/40/18/551524018.db2.gz IUZIITMHMPFLKP-SNVBAGLBSA-N 1 2 395.219 2.918 10 0 GFAELO O=C(CN1CC[C@@H]([NH+]2CCOCC2)C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000173607953 552088701 /nfs/dbraw/zinc/08/87/01/552088701.db2.gz YOWDOQOZFYAIHO-LLVKDONJSA-N 1 2 392.714 2.992 10 0 GFAELO C[C@@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000173773674 552091251 /nfs/dbraw/zinc/09/12/51/552091251.db2.gz DTDVDUGDUNRSKE-CJNGLKHVSA-N 1 2 382.302 2.626 10 0 GFAELO Cc1csc(CNC(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)n1 ZINC000178487032 552171407 /nfs/dbraw/zinc/17/14/07/552171407.db2.gz WDILXLCAOZPAAB-KGLIPLIRSA-N 1 2 380.539 2.774 10 0 GFAELO Cc1csc(CNC(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)n1 ZINC000178487032 552171409 /nfs/dbraw/zinc/17/14/09/552171409.db2.gz WDILXLCAOZPAAB-KGLIPLIRSA-N 1 2 380.539 2.774 10 0 GFAELO Cc1ncc(C[NH+]2CCN(C(=O)C[C@@H](O)c3ccc(Cl)cc3)CC2)s1 ZINC000179836324 552204433 /nfs/dbraw/zinc/20/44/33/552204433.db2.gz CEUVASSZEQBHIR-QGZVFWFLSA-N 1 2 379.913 2.873 10 0 GFAELO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000186757743 552396895 /nfs/dbraw/zinc/39/68/95/552396895.db2.gz OCNDDUMVHAPJNE-AWEZNQCLSA-N 1 2 382.917 2.637 10 0 GFAELO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000186757743 552396898 /nfs/dbraw/zinc/39/68/98/552396898.db2.gz OCNDDUMVHAPJNE-AWEZNQCLSA-N 1 2 382.917 2.637 10 0 GFAELO CCOC(=O)[C@@H](C)[N@H+](C[C@H](O)COc1cccc(Br)c1)C1CC1 ZINC000190850924 552511049 /nfs/dbraw/zinc/51/10/49/552511049.db2.gz VFXZEWHYSFJGNC-DOMZBBRYSA-N 1 2 386.286 2.605 10 0 GFAELO CCOC(=O)[C@@H](C)[N@@H+](C[C@H](O)COc1cccc(Br)c1)C1CC1 ZINC000190850924 552511053 /nfs/dbraw/zinc/51/10/53/552511053.db2.gz VFXZEWHYSFJGNC-DOMZBBRYSA-N 1 2 386.286 2.605 10 0 GFAELO Cc1nc(C[C@@H]2CCC[N@@H+]([C@@H](C(N)=O)c3cccc(Br)c3)C2)no1 ZINC000245763818 553097200 /nfs/dbraw/zinc/09/72/00/553097200.db2.gz JAHPWTIKCLKUEF-BLLLJJGKSA-N 1 2 393.285 2.622 10 0 GFAELO Cc1nc(C[C@@H]2CCC[N@H+]([C@@H](C(N)=O)c3cccc(Br)c3)C2)no1 ZINC000245763818 553097201 /nfs/dbraw/zinc/09/72/01/553097201.db2.gz JAHPWTIKCLKUEF-BLLLJJGKSA-N 1 2 393.285 2.622 10 0 GFAELO C[C@@H]1CN(Cc2cc(Br)cc3c2OCC3)C[C@H]1[NH+]1CCOCC1 ZINC000248873781 553136114 /nfs/dbraw/zinc/13/61/14/553136114.db2.gz QWGRQYYYPIYDKE-CXAGYDPISA-N 1 2 381.314 2.537 10 0 GFAELO C[N@H+](CCc1ccc(Br)cc1)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000106854532 655112390 /nfs/dbraw/zinc/11/23/90/655112390.db2.gz ILZSYYBZQDXRGE-IYBDPMFKSA-N 1 2 377.282 2.832 10 0 GFAELO C[N@@H+](CCc1ccc(Br)cc1)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000106854532 655112391 /nfs/dbraw/zinc/11/23/91/655112391.db2.gz ILZSYYBZQDXRGE-IYBDPMFKSA-N 1 2 377.282 2.832 10 0 GFAELO C[C@@H]1CN(C(=O)c2cc(-c3ccc(Cl)s3)on2)C[C@@H]1[NH+]1CCOCC1 ZINC000173403421 655170081 /nfs/dbraw/zinc/17/00/81/655170081.db2.gz DENRGNPFTZLMHV-YPMHNXCESA-N 1 2 381.885 2.849 10 0 GFAELO C[C@H]1CN(C(=O)c2cc3cc(Br)ccc3o2)C[C@@H]1[NH+]1CCOCC1 ZINC000173406406 655170312 /nfs/dbraw/zinc/17/03/12/655170312.db2.gz WRHAUSXOTLAABF-WFASDCNBSA-N 1 2 393.281 2.988 10 0 GFAELO C[C@@H]1CN(C(=O)c2ccc(C3SCCS3)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000173874065 655183682 /nfs/dbraw/zinc/18/36/82/655183682.db2.gz COQBZLKWTQALCX-RHSMWYFYSA-N 1 2 378.563 2.958 10 0 GFAELO O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000192362650 655404853 /nfs/dbraw/zinc/40/48/53/655404853.db2.gz IIKWZTMEVYDSON-LLVKDONJSA-N 1 2 379.214 2.859 10 0 GFAELO O=C(/C=C\c1ccc(I)o1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000255459066 655439071 /nfs/dbraw/zinc/43/90/71/655439071.db2.gz JSIXXZMMWSAJIY-TXNVCOODSA-N 1 2 397.216 2.785 10 0 GFAELO O=c1c(-c2ccccc2)cc(-c2cccc(O)c2)nn1CC[NH+]1CCOCC1 ZINC000031571596 209243157 /nfs/dbraw/zinc/24/31/57/209243157.db2.gz NELSUANATBKFPG-UHFFFAOYSA-N 1 2 377.444 2.615 10 0 GFAELO COc1ccc(CNc2nc(N3CCC(C(N)=O)CC3)[nH+]c3ccccc32)cc1 ZINC000072260756 136167831 /nfs/dbraw/zinc/16/78/31/136167831.db2.gz GWNBCAHGUNREMU-UHFFFAOYSA-N 1 2 391.475 2.952 10 0 GFAELO COC(=O)[C@@H]1CCC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000067379626 551188133 /nfs/dbraw/zinc/18/81/33/551188133.db2.gz UMIRRSJVMDERLQ-CYBMUJFWSA-N 1 2 394.269 2.808 10 0 GFAELO COC(=O)[C@@H]1CCC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000067379626 551188135 /nfs/dbraw/zinc/18/81/35/551188135.db2.gz UMIRRSJVMDERLQ-CYBMUJFWSA-N 1 2 394.269 2.808 10 0 GFAELO Cn1cc([C@H]2CC[N@H+](CC(=O)Nc3ccc(Br)cc3F)C2)cn1 ZINC000116321858 551211799 /nfs/dbraw/zinc/21/17/99/551211799.db2.gz OWZNXCNWOMCFNT-NSHDSACASA-N 1 2 381.249 2.750 10 0 GFAELO Cn1cc([C@H]2CC[N@@H+](CC(=O)Nc3ccc(Br)cc3F)C2)cn1 ZINC000116321858 551211801 /nfs/dbraw/zinc/21/18/01/551211801.db2.gz OWZNXCNWOMCFNT-NSHDSACASA-N 1 2 381.249 2.750 10 0 GFAELO Cc1nc(C2([NH2+]C[C@H](O)COc3cccc(Br)c3)CCCC2)no1 ZINC000170645453 551636820 /nfs/dbraw/zinc/63/68/20/551636820.db2.gz DHGVLLBOCCYPCA-AWEZNQCLSA-N 1 2 396.285 2.939 10 0 GFAELO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000171665460 551660253 /nfs/dbraw/zinc/66/02/53/551660253.db2.gz ASEDZEPEEDXIRG-HIFRSBDPSA-N 1 2 399.310 2.719 10 0 GFAELO O[C@@H](COc1ccc(Br)cc1)C[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000171665460 551660255 /nfs/dbraw/zinc/66/02/55/551660255.db2.gz ASEDZEPEEDXIRG-HIFRSBDPSA-N 1 2 399.310 2.719 10 0 GFAELO C[C@H]1C[N@H+](CC(=O)Nc2cccc(I)c2)CCS1 ZINC000171701978 551661550 /nfs/dbraw/zinc/66/15/50/551661550.db2.gz PYRZIKZHOCPODO-JTQLQIEISA-N 1 2 376.263 2.667 10 0 GFAELO C[C@H]1C[N@@H+](CC(=O)Nc2cccc(I)c2)CCS1 ZINC000171701978 551661553 /nfs/dbraw/zinc/66/15/53/551661553.db2.gz PYRZIKZHOCPODO-JTQLQIEISA-N 1 2 376.263 2.667 10 0 GFAELO C[C@H](Sc1ccc(Br)cc1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172767521 551686527 /nfs/dbraw/zinc/68/65/27/551686527.db2.gz DFZKYHGBHOLFLC-DZGCQCFKSA-N 1 2 399.354 2.863 10 0 GFAELO C[C@@H]1CN(C(=O)c2cc3c(cccc3Br)[nH]2)C[C@H]1[NH+]1CCOCC1 ZINC000173807400 552092777 /nfs/dbraw/zinc/09/27/77/552092777.db2.gz DXDMWWZAOWLPEX-SJKOYZFVSA-N 1 2 392.297 2.723 10 0 GFAELO COC[C@H](C)NC(=O)NC(=O)C[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000179537868 552195765 /nfs/dbraw/zinc/19/57/65/552195765.db2.gz PFDSOGCVYJHHGH-IUCAKERBSA-N 1 2 380.247 2.644 10 0 GFAELO CCc1nnc(C[NH2+][C@@H](C)c2cc3c(cc2Br)OCCO3)n1C ZINC000180462873 552226800 /nfs/dbraw/zinc/22/68/00/552226800.db2.gz YMTMTYMPZPWUQM-JTQLQIEISA-N 1 2 381.274 2.762 10 0 GFAELO C[C@H]1CN(C(=O)c2cccc(Br)c2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000184077449 552326863 /nfs/dbraw/zinc/32/68/63/552326863.db2.gz NJLXHBSYVWGDDN-FZMZJTMJSA-N 1 2 387.705 2.895 10 0 GFAELO COc1c(Br)cccc1C[N@@H+]1CCCN(Cc2noc(C)n2)CC1 ZINC000186755234 552397165 /nfs/dbraw/zinc/39/71/65/552397165.db2.gz QEYZXZJNHPSBCX-UHFFFAOYSA-N 1 2 395.301 2.857 10 0 GFAELO COc1c(Br)cccc1C[N@H+]1CCCN(Cc2noc(C)n2)CC1 ZINC000186755234 552397166 /nfs/dbraw/zinc/39/71/66/552397166.db2.gz QEYZXZJNHPSBCX-UHFFFAOYSA-N 1 2 395.301 2.857 10 0 GFAELO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000189087764 552463061 /nfs/dbraw/zinc/46/30/61/552463061.db2.gz SWTTVIPYARORPW-CYBMUJFWSA-N 1 2 377.286 2.654 10 0 GFAELO Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CCCNC(=O)[C@H]1C ZINC000189087764 552463063 /nfs/dbraw/zinc/46/30/63/552463063.db2.gz SWTTVIPYARORPW-CYBMUJFWSA-N 1 2 377.286 2.654 10 0 GFAELO C[C@H](CN(C)C(=O)NC[C@H]1C[N@H+](C)CCO1)Oc1ccc(Cl)c(Cl)c1 ZINC000189366170 552469710 /nfs/dbraw/zinc/46/97/10/552469710.db2.gz RZMWRBWCBRUNEX-OCCSQVGLSA-N 1 2 390.311 2.733 10 0 GFAELO C[C@H](CN(C)C(=O)NC[C@H]1C[N@@H+](C)CCO1)Oc1ccc(Cl)c(Cl)c1 ZINC000189366170 552469713 /nfs/dbraw/zinc/46/97/13/552469713.db2.gz RZMWRBWCBRUNEX-OCCSQVGLSA-N 1 2 390.311 2.733 10 0 GFAELO CS(=O)(=O)c1cc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)ccc1Cl ZINC000189895510 552482170 /nfs/dbraw/zinc/48/21/70/552482170.db2.gz LGTKKKCFRYMFON-CYBMUJFWSA-N 1 2 382.873 2.637 10 0 GFAELO Cc1ccc([C@@H](CNC(=O)N2CCS[C@H](C)CC2)[NH+]2CCOCC2)s1 ZINC000192429133 552563624 /nfs/dbraw/zinc/56/36/24/552563624.db2.gz CDPDWOCWSBCFAY-GDBMZVCRSA-N 1 2 383.583 2.967 10 0 GFAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)c3ccoc3Br)CC2)cn1 ZINC000193556517 552996466 /nfs/dbraw/zinc/99/64/66/552996466.db2.gz ONPNGDMTQXQMCS-UHFFFAOYSA-N 1 2 395.301 2.997 10 0 GFAELO CCCn1cc(C[N@H+]2CCCN(C(=O)c3ccoc3Br)CC2)cn1 ZINC000193556517 552996469 /nfs/dbraw/zinc/99/64/69/552996469.db2.gz ONPNGDMTQXQMCS-UHFFFAOYSA-N 1 2 395.301 2.997 10 0 GFAELO C[C@H](CNC(=O)N(C)[C@@H](C)c1ccccc1Br)[NH+]1CCOCC1 ZINC000195056845 553036836 /nfs/dbraw/zinc/03/68/36/553036836.db2.gz VONLXRMHSQWWRH-KGLIPLIRSA-N 1 2 384.318 2.872 10 0 GFAELO Cc1nc(C[C@H]2CCC[N@@H+]([C@@H](C(N)=O)c3cccc(Br)c3)C2)no1 ZINC000245763820 553096993 /nfs/dbraw/zinc/09/69/93/553096993.db2.gz JAHPWTIKCLKUEF-MLGOLLRUSA-N 1 2 393.285 2.622 10 0 GFAELO Cc1nc(C[C@H]2CCC[N@H+]([C@@H](C(N)=O)c3cccc(Br)c3)C2)no1 ZINC000245763820 553096996 /nfs/dbraw/zinc/09/69/96/553096996.db2.gz JAHPWTIKCLKUEF-MLGOLLRUSA-N 1 2 393.285 2.622 10 0 GFAELO C[C@H]1C[N@@H+]([C@@H](CNC(=O)N2CCSC[C@@H](C)C2)c2cccs2)CCO1 ZINC000248803089 553134861 /nfs/dbraw/zinc/13/48/61/553134861.db2.gz QVQDDIXXDUMTCN-JYJNAYRXSA-N 1 2 383.583 2.904 10 0 GFAELO C[C@H]1C[N@H+]([C@@H](CNC(=O)N2CCSC[C@@H](C)C2)c2cccs2)CCO1 ZINC000248803089 553134864 /nfs/dbraw/zinc/13/48/64/553134864.db2.gz QVQDDIXXDUMTCN-JYJNAYRXSA-N 1 2 383.583 2.904 10 0 GFAELO C[C@H]1C[N@@H+]([C@H](CNC(=O)N2CCSC[C@@H](C)C2)c2cccs2)CCO1 ZINC000248803082 553135168 /nfs/dbraw/zinc/13/51/68/553135168.db2.gz QVQDDIXXDUMTCN-HRCADAONSA-N 1 2 383.583 2.904 10 0 GFAELO C[C@H]1C[N@H+]([C@H](CNC(=O)N2CCSC[C@@H](C)C2)c2cccs2)CCO1 ZINC000248803082 553135172 /nfs/dbraw/zinc/13/51/72/553135172.db2.gz QVQDDIXXDUMTCN-HRCADAONSA-N 1 2 383.583 2.904 10 0 GFAELO C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1nc2ccc(OCC(F)(F)F)cc2s1 ZINC000261896705 553162258 /nfs/dbraw/zinc/16/22/58/553162258.db2.gz HEOGFDYXAXIJAT-PELKAZGASA-N 1 2 375.372 2.553 10 0 GFAELO COc1cc(Cl)c(S(=O)(=O)NC[C@@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000328626919 563461833 /nfs/dbraw/zinc/46/18/33/563461833.db2.gz MELYMSMRYDTHHJ-SNVBAGLBSA-N 1 2 390.292 2.739 10 0 GFAELO O=C(c1cccc2nc[nH]c21)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000275732972 570699088 /nfs/dbraw/zinc/69/90/88/570699088.db2.gz UVAHUSCHZHCTAZ-HNNXBMFYSA-N 1 2 377.448 2.852 10 0 GFAELO Cn1cc(C[N@@H+]2CCCN(C(=O)c3cc(Br)cs3)CC2)cn1 ZINC000109658525 655149894 /nfs/dbraw/zinc/14/98/94/655149894.db2.gz FYSLYZNOUWCBBC-UHFFFAOYSA-N 1 2 383.315 2.592 10 0 GFAELO Cn1cc(C[N@H+]2CCCN(C(=O)c3cc(Br)cs3)CC2)cn1 ZINC000109658525 655149897 /nfs/dbraw/zinc/14/98/97/655149897.db2.gz FYSLYZNOUWCBBC-UHFFFAOYSA-N 1 2 383.315 2.592 10 0 GFAELO O=C(N[C@H]1CCc2c1cccc2Br)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173908040 655184907 /nfs/dbraw/zinc/18/49/07/655184907.db2.gz XJCKUEMSTWWBQH-DYVFJYSZSA-N 1 2 394.313 2.553 10 0 GFAELO C[C@@H](CNC(=O)N1CCSC[C@H]1c1ccc(Cl)cc1)[NH+]1CCOCC1 ZINC000116528989 655248936 /nfs/dbraw/zinc/24/89/36/655248936.db2.gz UJMKRVMSCGPTIA-YOEHRIQHSA-N 1 2 383.945 2.860 10 0 GFAELO C[C@H](CNC(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1)[NH+]1CCOCC1 ZINC000116528987 655249009 /nfs/dbraw/zinc/24/90/09/655249009.db2.gz UJMKRVMSCGPTIA-RHSMWYFYSA-N 1 2 383.945 2.860 10 0 GFAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H]1C ZINC000117521422 655265117 /nfs/dbraw/zinc/26/51/17/655265117.db2.gz UWJLKLUGRAWMFT-GFCCVEGCSA-N 1 2 388.295 2.501 10 0 GFAELO CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H]1C ZINC000117521422 655265121 /nfs/dbraw/zinc/26/51/21/655265121.db2.gz UWJLKLUGRAWMFT-GFCCVEGCSA-N 1 2 388.295 2.501 10 0 GFAELO C[C@@H]1C[N@H+](CN2C(=O)C[C@](C)(c3ccc(Br)cc3)C2=O)CCS1 ZINC000246081720 655428862 /nfs/dbraw/zinc/42/88/62/655428862.db2.gz DMRBTSVWNTWGBS-SJKOYZFVSA-N 1 2 397.338 2.861 10 0 GFAELO C[C@@H]1C[N@@H+](CN2C(=O)C[C@](C)(c3ccc(Br)cc3)C2=O)CCS1 ZINC000246081720 655428863 /nfs/dbraw/zinc/42/88/63/655428863.db2.gz DMRBTSVWNTWGBS-SJKOYZFVSA-N 1 2 397.338 2.861 10 0 GFAELO O=C1NC[C@H](C[N@H+]2CCOc3c(O)cc(-c4nc5ccccc5s4)cc3C2)O1 ZINC000067881488 222165926 /nfs/dbraw/zinc/16/59/26/222165926.db2.gz RKUNYPCPQOTUTO-CQSZACIVSA-N 1 2 397.456 2.972 10 0 GFAELO O=C1NC[C@H](C[N@@H+]2CCOc3c(O)cc(-c4nc5ccccc5s4)cc3C2)O1 ZINC000067881488 222165931 /nfs/dbraw/zinc/16/59/31/222165931.db2.gz RKUNYPCPQOTUTO-CQSZACIVSA-N 1 2 397.456 2.972 10 0 GFAELO COCC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2nc(C(C)C)no2)CC1 ZINC000071890527 222198980 /nfs/dbraw/zinc/19/89/80/222198980.db2.gz HEGZGVAVYGUOHZ-KRWDZBQOSA-N 1 2 378.517 2.823 10 0 GFAELO CSC[C@H]1CCCN1C(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000153721650 551459014 /nfs/dbraw/zinc/45/90/14/551459014.db2.gz LHLDIRXFBRFCDS-HZPDHXFCSA-N 1 2 383.583 2.967 10 0 GFAELO C[C@H](C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)c1ccc(Br)s1 ZINC000173398193 552084886 /nfs/dbraw/zinc/08/48/86/552084886.db2.gz WYUKXIFKPQZHCX-AGIUHOORSA-N 1 2 387.343 2.793 10 0 GFAELO C[C@@H]1CN(C(=O)C2(c3cccc(Br)c3)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000173817984 552092355 /nfs/dbraw/zinc/09/23/55/552092355.db2.gz BJCOIVUAPXBUQO-PBHICJAKSA-N 1 2 393.325 2.660 10 0 GFAELO CC[C@H]1CN(C(=O)NC[C@H](c2ccc(C)s2)[NH+]2CCOCC2)CCS1 ZINC000175006710 552113552 /nfs/dbraw/zinc/11/35/52/552113552.db2.gz QWZJHQJNMHVWQV-JKSUJKDBSA-N 1 2 383.583 2.967 10 0 GFAELO O=C(c1ccc(I)cc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177776940 552158836 /nfs/dbraw/zinc/15/88/36/552158836.db2.gz JHVCLNQVNKLMOX-CQSZACIVSA-N 1 2 381.217 2.793 10 0 GFAELO C[C@H]([NH2+]CC(=O)NCC(=O)N1CCCC1)c1c(Cl)ccc(F)c1Cl ZINC000179540037 552196224 /nfs/dbraw/zinc/19/62/24/552196224.db2.gz OWXUXNMZCRXGLD-JTQLQIEISA-N 1 2 376.259 2.522 10 0 GFAELO COc1cc(Br)ccc1CCC[N@@H+]1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000181923533 552271073 /nfs/dbraw/zinc/27/10/73/552271073.db2.gz JJROUDYHCPZSIT-INIZCTEOSA-N 1 2 395.301 2.890 10 0 GFAELO COc1cc(Br)ccc1CCC[N@H+]1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000181923533 552271075 /nfs/dbraw/zinc/27/10/75/552271075.db2.gz JJROUDYHCPZSIT-INIZCTEOSA-N 1 2 395.301 2.890 10 0 GFAELO COc1cc(Br)ccc1CCC[N@@H+]1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000181923533 552271077 /nfs/dbraw/zinc/27/10/77/552271077.db2.gz JJROUDYHCPZSIT-INIZCTEOSA-N 1 2 395.301 2.890 10 0 GFAELO COc1cc(Br)ccc1CCC[N@H+]1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000181923533 552271080 /nfs/dbraw/zinc/27/10/80/552271080.db2.gz JJROUDYHCPZSIT-INIZCTEOSA-N 1 2 395.301 2.890 10 0 GFAELO CC(C)N1CCO[C@@H](C[NH+]2CCN(Cc3ncc(Cl)cc3Cl)CC2)C1 ZINC000182236145 552278771 /nfs/dbraw/zinc/27/87/71/552278771.db2.gz RIUCNMCRVKGLOD-INIZCTEOSA-N 1 2 387.355 2.615 10 0 GFAELO COc1ccc(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)nc1Br ZINC000183111603 552300605 /nfs/dbraw/zinc/30/06/05/552300605.db2.gz PMVLCDJWLGPLHV-UHFFFAOYSA-N 1 2 393.285 2.908 10 0 GFAELO CC[C@H](Cc1ccccc1Br)N(C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000187813491 552424706 /nfs/dbraw/zinc/42/47/06/552424706.db2.gz CQKRVMNMIWAHIK-HZPDHXFCSA-N 1 2 398.345 2.742 10 0 GFAELO CC[C@H](Cc1ccccc1Br)N(C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000187813491 552424709 /nfs/dbraw/zinc/42/47/09/552424709.db2.gz CQKRVMNMIWAHIK-HZPDHXFCSA-N 1 2 398.345 2.742 10 0 GFAELO Cc1ccc([C@H](CNC(=O)N2CCSCC[C@@H]2C)[NH+]2CCOCC2)s1 ZINC000189444254 552472189 /nfs/dbraw/zinc/47/21/89/552472189.db2.gz HUYZMCXBUKRCBM-HOCLYGCPSA-N 1 2 383.583 2.967 10 0 GFAELO Cc1ccc([C@H](CNC(=O)N2CCS[C@@H](C)CC2)[NH+]2CCOCC2)s1 ZINC000192429131 552563567 /nfs/dbraw/zinc/56/35/67/552563567.db2.gz CDPDWOCWSBCFAY-HOCLYGCPSA-N 1 2 383.583 2.967 10 0 GFAELO C[C@H](Cc1ccc(Br)cc1)C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000245691840 553095672 /nfs/dbraw/zinc/09/56/72/553095672.db2.gz APXJDRRDSMZXDN-RKVPGOIHSA-N 1 2 395.341 2.807 10 0 GFAELO C[C@H]1CC[N@H+](Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)[C@H]1CO ZINC000248863185 553135926 /nfs/dbraw/zinc/13/59/26/553135926.db2.gz AJONICPVIVXLBM-ZANVPECISA-N 1 2 375.782 2.537 10 0 GFAELO C[C@H]1CC[N@@H+](Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)[C@H]1CO ZINC000248863185 553135928 /nfs/dbraw/zinc/13/59/28/553135928.db2.gz AJONICPVIVXLBM-ZANVPECISA-N 1 2 375.782 2.537 10 0 GFAELO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@H]1CC(F)(F)CN1 ZINC000262957357 553179609 /nfs/dbraw/zinc/17/96/09/553179609.db2.gz KHWWPESLEFFNMI-ZIAGYGMSSA-N 1 2 375.822 2.729 10 0 GFAELO CC(C)[C@H]1OCCC[C@@H]1Nc1cc(N2CCC(NC(=O)C3CC3)CC2)nc[nH+]1 ZINC000435344186 570592138 /nfs/dbraw/zinc/59/21/38/570592138.db2.gz SYNWMJRSRCKZRZ-FXAWDEMLSA-N 1 2 387.528 2.587 10 0 GFAELO CC(C)[C@H]1OCCC[C@@H]1Nc1cc(N2CCC(NC(=O)C3CC3)CC2)[nH+]cn1 ZINC000435344186 570592140 /nfs/dbraw/zinc/59/21/40/570592140.db2.gz SYNWMJRSRCKZRZ-FXAWDEMLSA-N 1 2 387.528 2.587 10 0 GFAELO C[NH+](C)C[C@@H](NC(=O)CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000027150388 654562909 /nfs/dbraw/zinc/56/29/09/654562909.db2.gz DMQVWQPGDOAMDR-QGZVFWFLSA-N 1 2 380.897 2.533 10 0 GFAELO C[C@H]1CN(C(=O)c2cc(Cl)cc(Br)c2)C[C@H]1[NH+]1CCOCC1 ZINC000132904527 654948919 /nfs/dbraw/zinc/94/89/19/654948919.db2.gz ZSXZIGSGQDAOBZ-XHDPSFHLSA-N 1 2 387.705 2.895 10 0 GFAELO C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106173343 655104528 /nfs/dbraw/zinc/10/45/28/655104528.db2.gz TUXWWLSTAVUIIV-KBPBESRZSA-N 1 2 392.301 2.780 10 0 GFAELO C[C@@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106173343 655104529 /nfs/dbraw/zinc/10/45/29/655104529.db2.gz TUXWWLSTAVUIIV-KBPBESRZSA-N 1 2 392.301 2.780 10 0 GFAELO Cc1cnn([C@H]2CCC[N@H+](CC(=O)Nc3ccc(Br)cn3)C2)c1 ZINC000106222390 655105271 /nfs/dbraw/zinc/10/52/71/655105271.db2.gz YYCNFIWFHAKIPL-AWEZNQCLSA-N 1 2 378.274 2.625 10 0 GFAELO Cc1cnn([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(Br)cn3)C2)c1 ZINC000106222390 655105273 /nfs/dbraw/zinc/10/52/73/655105273.db2.gz YYCNFIWFHAKIPL-AWEZNQCLSA-N 1 2 378.274 2.625 10 0 GFAELO C[C@H](CNC(=O)CCCCOc1ccc(Br)cc1)[NH+]1CCOCC1 ZINC000108774841 655137864 /nfs/dbraw/zinc/13/78/64/655137864.db2.gz SVHQRUVIYPFUFB-OAHLLOKOSA-N 1 2 399.329 2.835 10 0 GFAELO O=C(Cc1cc(Cl)ccc1Br)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000119107971 655290726 /nfs/dbraw/zinc/29/07/26/655290726.db2.gz MTLQDXACBGJLNR-AWEZNQCLSA-N 1 2 387.705 2.578 10 0 GFAELO CCc1nnc(N2CCC3(CCC(=O)N(CCCn4cc[nH+]c4)C3)CC2)s1 ZINC000091646063 230965443 /nfs/dbraw/zinc/96/54/43/230965443.db2.gz XNCTWVTVOGOVRC-UHFFFAOYSA-N 1 2 388.541 2.596 10 0 GFAELO CCOc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)NC2CCCCCC2)cc1 ZINC000012717197 221221181 /nfs/dbraw/zinc/22/11/81/221221181.db2.gz LUJYZPMMUPIBNN-HXUWFJFHSA-N 1 2 387.524 2.615 10 0 GFAELO CCOc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)NC2CCCCCC2)cc1 ZINC000012717197 221221183 /nfs/dbraw/zinc/22/11/83/221221183.db2.gz LUJYZPMMUPIBNN-HXUWFJFHSA-N 1 2 387.524 2.615 10 0 GFAELO O=C(C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2)cc1)NCC1CC1 ZINC000013594180 221275422 /nfs/dbraw/zinc/27/54/22/221275422.db2.gz QBIPYIGHVBAPQP-NRFANRHFSA-N 1 2 377.488 2.570 10 0 GFAELO O=C(C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1)NCC1CC1 ZINC000013594180 221275424 /nfs/dbraw/zinc/27/54/24/221275424.db2.gz QBIPYIGHVBAPQP-NRFANRHFSA-N 1 2 377.488 2.570 10 0 GFAELO COc1cc[nH+]cc1NC(=O)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000155369927 551498664 /nfs/dbraw/zinc/49/86/64/551498664.db2.gz CGXJXNRYFFAYSV-JTQLQIEISA-N 1 2 378.226 2.669 10 0 GFAELO C[C@@H]1CN(C(=O)c2cc3ccc(Br)cc3[nH]2)C[C@@H]1[NH+]1CCOCC1 ZINC000173398776 552084900 /nfs/dbraw/zinc/08/49/00/552084900.db2.gz VSZAKLIHFXLJPJ-PXAZEXFGSA-N 1 2 392.297 2.723 10 0 GFAELO C[C@@H]1CN(C(=O)CSc2nc3ccccc3s2)C[C@@H]1[NH+]1CCOCC1 ZINC000173967925 552096280 /nfs/dbraw/zinc/09/62/80/552096280.db2.gz WUABVHGAYPCCGT-HIFRSBDPSA-N 1 2 377.535 2.568 10 0 GFAELO Cc1ccc([C@H](CNC(=O)N2CCS[C@H](C)[C@@H]2C)[NH+]2CCOCC2)s1 ZINC000175013068 552113819 /nfs/dbraw/zinc/11/38/19/552113819.db2.gz ZGSHXVHQMJTTEA-XHSDSOJGSA-N 1 2 383.583 2.965 10 0 GFAELO CSc1cc(C(=O)NC[C@H](c2ccc(C)s2)[NH+]2CCOCC2)ccn1 ZINC000176555299 552141322 /nfs/dbraw/zinc/14/13/22/552141322.db2.gz PATODIVLBGLFKL-OAHLLOKOSA-N 1 2 377.535 2.977 10 0 GFAELO Cc1csc(CNC(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)n1 ZINC000178487046 552171267 /nfs/dbraw/zinc/17/12/67/552171267.db2.gz WDILXLCAOZPAAB-ZIAGYGMSSA-N 1 2 380.539 2.774 10 0 GFAELO Cc1csc(CNC(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)n1 ZINC000178487046 552171270 /nfs/dbraw/zinc/17/12/70/552171270.db2.gz WDILXLCAOZPAAB-ZIAGYGMSSA-N 1 2 380.539 2.774 10 0 GFAELO CC(=O)N[C@H]1CCCN(C(=O)C[NH2+][C@@H](C)c2c(Cl)ccc(F)c2Cl)C1 ZINC000179540354 552196087 /nfs/dbraw/zinc/19/60/87/552196087.db2.gz GEQMOAOACNWTMF-JQWIXIFHSA-N 1 2 390.286 2.910 10 0 GFAELO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ncc(Br)s3)C2=O)n(C)n1 ZINC000182349876 552281555 /nfs/dbraw/zinc/28/15/55/552281555.db2.gz MBZYKLQKULSESX-MNOVXSKESA-N 1 2 398.330 2.794 10 0 GFAELO O=C(Nc1cc(F)c(Br)c(F)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000182496819 552285655 /nfs/dbraw/zinc/28/56/55/552285655.db2.gz QXVUVMIQZGWDIU-NSHDSACASA-N 1 2 390.228 2.666 10 0 GFAELO Cc1cc(Br)c(F)cc1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000184831735 552345464 /nfs/dbraw/zinc/34/54/64/552345464.db2.gz CMQXZKZGMAJQSH-GFCCVEGCSA-N 1 2 386.265 2.835 10 0 GFAELO O=C(Nc1c(F)cc(F)cc1Br)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000192286548 552558437 /nfs/dbraw/zinc/55/84/37/552558437.db2.gz ISRYZQSBGLPQHK-NSHDSACASA-N 1 2 390.228 2.666 10 0 GFAELO CC(C)c1nnc(C[S@@](=O)Cc2cn3cc(Br)ccc3[nH+]2)n1C ZINC000194268128 553015986 /nfs/dbraw/zinc/01/59/86/553015986.db2.gz RTELSVHLYYWKTK-QHCPKHFHSA-N 1 2 396.314 2.798 10 0 GFAELO C[C@H]1C[N@@H+]([C@H](CNC(=O)N(C)Cc2nccs2)c2cccs2)CCO1 ZINC000248334281 553128201 /nfs/dbraw/zinc/12/82/01/553128201.db2.gz GBLUTAKEHPJDBI-UONOGXRCSA-N 1 2 380.539 2.808 10 0 GFAELO C[C@H]1C[N@H+]([C@H](CNC(=O)N(C)Cc2nccs2)c2cccs2)CCO1 ZINC000248334281 553128203 /nfs/dbraw/zinc/12/82/03/553128203.db2.gz GBLUTAKEHPJDBI-UONOGXRCSA-N 1 2 380.539 2.808 10 0 GFAELO CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(F)(F)CN2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000263281095 553185486 /nfs/dbraw/zinc/18/54/86/553185486.db2.gz UGEGBLOHIHQVBC-KKUMJFAQSA-N 1 2 375.822 2.728 10 0 GFAELO CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(F)(F)CN2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000263281095 553185489 /nfs/dbraw/zinc/18/54/89/553185489.db2.gz UGEGBLOHIHQVBC-KKUMJFAQSA-N 1 2 375.822 2.728 10 0 GFAELO COC(=O)c1ccc(F)c(CNc2[nH+]cnc3c2c(Br)nn3C)c1 ZINC000302187323 563422566 /nfs/dbraw/zinc/42/25/66/563422566.db2.gz PZNKKESEWCKHGU-UHFFFAOYSA-N 1 2 394.204 2.664 10 0 GFAELO C[C@@H]1CN(C(=O)c2cc(Cl)ccc2Br)C[C@H]1[NH+]1CCOCC1 ZINC000173401902 655169993 /nfs/dbraw/zinc/16/99/93/655169993.db2.gz VQDLXHMOGNEBLA-IAQYHMDHSA-N 1 2 387.705 2.895 10 0 GFAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccccc2Br)nc[nH+]1 ZINC000173438118 655172401 /nfs/dbraw/zinc/17/24/01/655172401.db2.gz HIZFYVDLRYQAHN-LBPRGKRZSA-N 1 2 390.285 2.680 10 0 GFAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccccc2Br)[nH+]cn1 ZINC000173438118 655172403 /nfs/dbraw/zinc/17/24/03/655172403.db2.gz HIZFYVDLRYQAHN-LBPRGKRZSA-N 1 2 390.285 2.680 10 0 GFAELO CCOc1ccc(Br)cc1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173901175 655184363 /nfs/dbraw/zinc/18/43/63/655184363.db2.gz VZJZSLYSMBOXNA-CQSZACIVSA-N 1 2 398.301 2.786 10 0 GFAELO O=C(Nc1c(F)cc(Br)cc1F)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173905863 655184695 /nfs/dbraw/zinc/18/46/95/655184695.db2.gz LEKMNAKLTMVFED-NSHDSACASA-N 1 2 390.228 2.666 10 0 GFAELO COC(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(Br)s3)no2)C1 ZINC000114456346 655224556 /nfs/dbraw/zinc/22/45/56/655224556.db2.gz MGXBFWKEYAEDIT-SECBINFHSA-N 1 2 386.271 2.946 10 0 GFAELO COC(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(Br)s3)no2)C1 ZINC000114456346 655224557 /nfs/dbraw/zinc/22/45/57/655224557.db2.gz MGXBFWKEYAEDIT-SECBINFHSA-N 1 2 386.271 2.946 10 0 GFAELO O=C(NCCNc1ncc(Cl)cc1Cl)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177405869 655275725 /nfs/dbraw/zinc/27/57/25/655275725.db2.gz XFXKNVHKMJVBIE-CYBMUJFWSA-N 1 2 383.283 2.871 10 0 GFAELO COc1cc(CN(CCC[NH+]2CCOCC2)Cc2cccnc2)cc(OC)c1 ZINC000013569040 221274500 /nfs/dbraw/zinc/27/45/00/221274500.db2.gz CIWJWQFIOWQNET-UHFFFAOYSA-N 1 2 385.508 2.823 10 0 GFAELO CC(C)c1noc(C[NH+]2CCC([C@H]3CCCCCN3S(C)(=O)=O)CC2)n1 ZINC000069738459 222175529 /nfs/dbraw/zinc/17/55/29/222175529.db2.gz BAECGXNAIANUDP-MRXNPFEDSA-N 1 2 384.546 2.609 10 0 GFAELO CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H](NC(C)=O)C2)cc1OC ZINC000153832603 551461458 /nfs/dbraw/zinc/46/14/58/551461458.db2.gz QIIVKUCHHJGVPI-CQSZACIVSA-N 1 2 385.302 2.957 10 0 GFAELO CCOc1c(Br)cc(C[N@H+]2CCC[C@@H](NC(C)=O)C2)cc1OC ZINC000153832603 551461460 /nfs/dbraw/zinc/46/14/60/551461460.db2.gz QIIVKUCHHJGVPI-CQSZACIVSA-N 1 2 385.302 2.957 10 0 GFAELO CCOc1cc(Br)ccc1NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000154977906 551487831 /nfs/dbraw/zinc/48/78/31/551487831.db2.gz JEFRYKWTCDIZRS-GFCCVEGCSA-N 1 2 386.290 2.690 10 0 GFAELO C[C@H]1CN(C(=O)CSc2cccc(Br)c2)C[C@H]1[NH+]1CCOCC1 ZINC000164092093 551624200 /nfs/dbraw/zinc/62/42/00/551624200.db2.gz DXCNRQRIQQHVDU-XJKSGUPXSA-N 1 2 399.354 2.720 10 0 GFAELO O=C(c1cc2cc(Br)ccc2o1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172750494 551686180 /nfs/dbraw/zinc/68/61/80/551686180.db2.gz LGPVOAVHPIODIS-CQSZACIVSA-N 1 2 379.254 2.742 10 0 GFAELO CCc1nc(CC(=O)N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)cs1 ZINC000176540853 552140865 /nfs/dbraw/zinc/14/08/65/552140865.db2.gz WLTPVHCTKHHCKG-OAHLLOKOSA-N 1 2 379.551 2.841 10 0 GFAELO COc1ccc(Br)cc1CC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177793782 552158743 /nfs/dbraw/zinc/15/87/43/552158743.db2.gz MCOQZFWVFIVCRK-OAHLLOKOSA-N 1 2 378.270 2.888 10 0 GFAELO Cc1nn(C)c(Cl)c1C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000177977192 552161939 /nfs/dbraw/zinc/16/19/39/552161939.db2.gz LASFZDQYICORDB-DGCLKSJQSA-N 1 2 382.917 2.635 10 0 GFAELO Cc1nn(C)c(Cl)c1C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000177977192 552161942 /nfs/dbraw/zinc/16/19/42/552161942.db2.gz LASFZDQYICORDB-DGCLKSJQSA-N 1 2 382.917 2.635 10 0 GFAELO Brc1ccc(CN2CC[C@H]([NH+]3CCOCC3)C2)c2ncccc12 ZINC000179943788 552207527 /nfs/dbraw/zinc/20/75/27/552207527.db2.gz FTGGRJJLRTUXAF-HNNXBMFYSA-N 1 2 376.298 2.904 10 0 GFAELO C[C@H]1CN(C(=O)c2c[nH]nc2-c2ccc(Cl)s2)C[C@@H]1[NH+]1CCOCC1 ZINC000189935255 552483272 /nfs/dbraw/zinc/48/32/72/552483272.db2.gz ULKFFYIUVVNCOU-AAEUAGOBSA-N 1 2 380.901 2.584 10 0 GFAELO Cc1ccc([C@@H](CNC(=O)N2CCS[C@@H](C)CC2)[NH+]2CCOCC2)s1 ZINC000192429129 552563094 /nfs/dbraw/zinc/56/30/94/552563094.db2.gz CDPDWOCWSBCFAY-GOEBONIOSA-N 1 2 383.583 2.967 10 0 GFAELO C[C@@H](CNC(=O)N(C)[C@@H](C)c1ccccc1Br)[NH+]1CCOCC1 ZINC000195056836 553036817 /nfs/dbraw/zinc/03/68/17/553036817.db2.gz VONLXRMHSQWWRH-KBPBESRZSA-N 1 2 384.318 2.872 10 0 GFAELO C[C@@H]1CN(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)CCS1 ZINC000245755044 553096518 /nfs/dbraw/zinc/09/65/18/553096518.db2.gz OVJOHRWQDXYDJE-KBRIMQKVSA-N 1 2 383.945 2.859 10 0 GFAELO C[C@@H]1CN(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)CCS1 ZINC000245755044 553096520 /nfs/dbraw/zinc/09/65/20/553096520.db2.gz OVJOHRWQDXYDJE-KBRIMQKVSA-N 1 2 383.945 2.859 10 0 GFAELO CCc1nnc(NC(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)s1 ZINC000246318451 553106587 /nfs/dbraw/zinc/10/65/87/553106587.db2.gz AIKBEMIRQPQXKB-NWDGAFQWSA-N 1 2 381.527 2.746 10 0 GFAELO CCc1nnc(NC(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)s1 ZINC000246318451 553106589 /nfs/dbraw/zinc/10/65/89/553106589.db2.gz AIKBEMIRQPQXKB-NWDGAFQWSA-N 1 2 381.527 2.746 10 0 GFAELO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246373737 553107139 /nfs/dbraw/zinc/10/71/39/553107139.db2.gz HOUQRBORTXGFQU-PBFPGSCMSA-N 1 2 386.323 2.973 10 0 GFAELO CNC(=O)[C@@H](c1ccc(OC)cc1)[N@@H+]1CCC[C@H]1C(=O)N(C)Cc1ccccc1 ZINC000225401544 560043660 /nfs/dbraw/zinc/04/36/60/560043660.db2.gz CVWRJQNZPRAUGY-LEWJYISDSA-N 1 2 395.503 2.605 10 0 GFAELO CNC(=O)[C@@H](c1ccc(OC)cc1)[N@H+]1CCC[C@H]1C(=O)N(C)Cc1ccccc1 ZINC000225401544 560043661 /nfs/dbraw/zinc/04/36/61/560043661.db2.gz CVWRJQNZPRAUGY-LEWJYISDSA-N 1 2 395.503 2.605 10 0 GFAELO CC(=O)N[C@H]1CCC[N@H+](Cn2ccc(-c3ccc(Br)cc3)n2)C1 ZINC000153371175 655066389 /nfs/dbraw/zinc/06/63/89/655066389.db2.gz RCZNLKNTQBPPDW-INIZCTEOSA-N 1 2 377.286 2.871 10 0 GFAELO CC(=O)N[C@H]1CCC[N@@H+](Cn2ccc(-c3ccc(Br)cc3)n2)C1 ZINC000153371175 655066390 /nfs/dbraw/zinc/06/63/90/655066390.db2.gz RCZNLKNTQBPPDW-INIZCTEOSA-N 1 2 377.286 2.871 10 0 GFAELO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000106219440 655105255 /nfs/dbraw/zinc/10/52/55/655105255.db2.gz XTDXDHOWSVCARI-AWEZNQCLSA-N 1 2 378.274 2.625 10 0 GFAELO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000106219440 655105256 /nfs/dbraw/zinc/10/52/56/655105256.db2.gz XTDXDHOWSVCARI-AWEZNQCLSA-N 1 2 378.274 2.625 10 0 GFAELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C[C@@H]1CC ZINC000158926655 655110495 /nfs/dbraw/zinc/11/04/95/655110495.db2.gz QUQAECBMPZIKKC-LBPRGKRZSA-N 1 2 396.340 2.510 10 0 GFAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C[C@@H]1CC ZINC000158926655 655110499 /nfs/dbraw/zinc/11/04/99/655110499.db2.gz QUQAECBMPZIKKC-LBPRGKRZSA-N 1 2 396.340 2.510 10 0 GFAELO O=C(c1ccccc1Br)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000109643849 655149615 /nfs/dbraw/zinc/14/96/15/655149615.db2.gz RUVQDHPAQYDNPV-SFHVURJKSA-N 1 2 389.293 2.941 10 0 GFAELO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccccc1Br ZINC000173766327 655180650 /nfs/dbraw/zinc/18/06/50/655180650.db2.gz FUYYJLSNYKTJDX-UONOGXRCSA-N 1 2 382.302 2.626 10 0 GFAELO CN(C)c1nc(N2CCOCC2)[nH+]cc1NC(=O)c1ccc2ccccc2c1 ZINC000224359359 136206926 /nfs/dbraw/zinc/20/69/26/136206926.db2.gz JXTYUVNCIYXKHD-UHFFFAOYSA-N 1 2 377.448 2.785 10 0 GFAELO O=C(c1ccc(F)cc1)[C@H]1[C@@H]2[C@@H](C(=O)[C@@H]3OC[C@H]2O3)[C@@H]2c3ccccc3C=C[N@H+]12 ZINC000058986124 222056026 /nfs/dbraw/zinc/05/60/26/222056026.db2.gz YANFNRSMJXESCV-OBQNWJJYSA-N 1 2 391.398 2.975 10 0 GFAELO O=C(c1ccc(F)cc1)[C@H]1[C@@H]2[C@@H](C(=O)[C@@H]3OC[C@H]2O3)[C@@H]2c3ccccc3C=C[N@@H+]12 ZINC000058986124 222056030 /nfs/dbraw/zinc/05/60/30/222056030.db2.gz YANFNRSMJXESCV-OBQNWJJYSA-N 1 2 391.398 2.975 10 0 GFAELO C[C@@H]1C[N@H+](Cc2cccc(-c3nc(-c4ccncc4)cc(=O)[nH]3)c2)CCN1C ZINC000067788038 222160076 /nfs/dbraw/zinc/16/00/76/222160076.db2.gz NOSXFTOEBNSTCA-MRXNPFEDSA-N 1 2 375.476 2.635 10 0 GFAELO C[C@@H]1C[N@@H+](Cc2cccc(-c3nc(-c4ccncc4)cc(=O)[nH]3)c2)CCN1C ZINC000067788038 222160081 /nfs/dbraw/zinc/16/00/81/222160081.db2.gz NOSXFTOEBNSTCA-MRXNPFEDSA-N 1 2 375.476 2.635 10 0 GFAELO COC(=O)[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000120988951 551224203 /nfs/dbraw/zinc/22/42/03/551224203.db2.gz RWNVIQUHJMKRIK-CJNGLKHVSA-N 1 2 378.270 2.886 10 0 GFAELO COC(=O)[C@H](c1cccc(Br)c1)[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000120988951 551224206 /nfs/dbraw/zinc/22/42/06/551224206.db2.gz RWNVIQUHJMKRIK-CJNGLKHVSA-N 1 2 378.270 2.886 10 0 GFAELO C[N@@H+]1CCO[C@H](CNC(=O)N(Cc2csc(Br)c2)C2CC2)C1 ZINC000125680826 551322315 /nfs/dbraw/zinc/32/23/15/551322315.db2.gz UWVAXLGRTJELPO-CYBMUJFWSA-N 1 2 388.331 2.515 10 0 GFAELO C[N@H+]1CCO[C@H](CNC(=O)N(Cc2csc(Br)c2)C2CC2)C1 ZINC000125680826 551322319 /nfs/dbraw/zinc/32/23/19/551322319.db2.gz UWVAXLGRTJELPO-CYBMUJFWSA-N 1 2 388.331 2.515 10 0 GFAELO C[C@H]1CN(C(=O)c2ccc(Br)c(Cl)c2)C[C@H]1[NH+]1CCOCC1 ZINC000157999451 551545760 /nfs/dbraw/zinc/54/57/60/551545760.db2.gz KHWIZROLNBJKAC-XHDPSFHLSA-N 1 2 387.705 2.895 10 0 GFAELO CC(C)n1cc[nH+]c1CS(=O)(=O)CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000171675370 551660922 /nfs/dbraw/zinc/66/09/22/551660922.db2.gz NUAJHTNEMZRMGH-CYBMUJFWSA-N 1 2 383.901 2.910 10 0 GFAELO C[C@H]1CN(C(=O)c2cc3ccc(Br)cc3[nH]2)C[C@H]1[NH+]1CCOCC1 ZINC000173398818 552085254 /nfs/dbraw/zinc/08/52/54/552085254.db2.gz VSZAKLIHFXLJPJ-YVEFUNNKSA-N 1 2 392.297 2.723 10 0 GFAELO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000173773661 552091527 /nfs/dbraw/zinc/09/15/27/552091527.db2.gz DTDVDUGDUNRSKE-BBRMVZONSA-N 1 2 382.302 2.626 10 0 GFAELO Cc1ccc([C@H](CNC(=O)N(C)Cc2nccs2)[NH+]2CCOCC2)s1 ZINC000174985890 552113101 /nfs/dbraw/zinc/11/31/01/552113101.db2.gz JHTFHUYNSIQWKJ-AWEZNQCLSA-N 1 2 380.539 2.728 10 0 GFAELO CSc1cc(C(=O)NC[C@@H](c2ccc(C)s2)[NH+]2CCOCC2)ccn1 ZINC000176555318 552141483 /nfs/dbraw/zinc/14/14/83/552141483.db2.gz PATODIVLBGLFKL-HNNXBMFYSA-N 1 2 377.535 2.977 10 0 GFAELO CC(=O)N1CCC(NC(=O)C[NH2+][C@H](C)c2c(Cl)ccc(F)c2Cl)CC1 ZINC000179542993 552196016 /nfs/dbraw/zinc/19/60/16/552196016.db2.gz KLPSMUWRVHSWTR-SNVBAGLBSA-N 1 2 390.286 2.910 10 0 GFAELO C[C@H](CNC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)[NH+]1CCOCC1 ZINC000179670112 552199920 /nfs/dbraw/zinc/19/99/20/552199920.db2.gz NQRQTBUGUOWPML-GFCCVEGCSA-N 1 2 383.279 2.630 10 0 GFAELO COc1sc(CN2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cc1Br ZINC000180227186 552218573 /nfs/dbraw/zinc/21/85/73/552218573.db2.gz IIPDNCWFGHYWHU-RISCZKNCSA-N 1 2 375.332 2.672 10 0 GFAELO C[C@@H](CNC(=O)NCCOCc1ccc(Cl)cc1Cl)[NH+]1CCOCC1 ZINC000183471468 552310268 /nfs/dbraw/zinc/31/02/68/552310268.db2.gz LZUNSKLPANAIAI-ZDUSSCGKSA-N 1 2 390.311 2.530 10 0 GFAELO O=C([C@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl)N1CC[NH+](CCO)CC1 ZINC000185560506 552365541 /nfs/dbraw/zinc/36/55/41/552365541.db2.gz TZHAVUNAFWAZIC-DOTOQJQBSA-N 1 2 387.307 2.598 10 0 GFAELO Cc1ncc(C[NH+]2CCN(C(=O)Nc3cccc(Br)n3)CC2)s1 ZINC000188496208 552446484 /nfs/dbraw/zinc/44/64/84/552446484.db2.gz PGWSOHWAVHGOSK-UHFFFAOYSA-N 1 2 396.314 2.959 10 0 GFAELO CCCCOC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000193371539 552991846 /nfs/dbraw/zinc/99/18/46/552991846.db2.gz YVBCQVHUKZRUEW-HNNXBMFYSA-N 1 2 389.323 2.929 10 0 GFAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)N(C)Cc2nccs2)c2cccs2)CCO1 ZINC000248334283 553128041 /nfs/dbraw/zinc/12/80/41/553128041.db2.gz GBLUTAKEHPJDBI-ZIAGYGMSSA-N 1 2 380.539 2.808 10 0 GFAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)N(C)Cc2nccs2)c2cccs2)CCO1 ZINC000248334283 553128043 /nfs/dbraw/zinc/12/80/43/553128043.db2.gz GBLUTAKEHPJDBI-ZIAGYGMSSA-N 1 2 380.539 2.808 10 0 GFAELO NC(=O)[C@H](c1ccc(Br)cc1)[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249582803 553144902 /nfs/dbraw/zinc/14/49/02/553144902.db2.gz RVEHOEALPGDRDP-BPUTZDHNSA-N 1 2 395.322 2.745 10 0 GFAELO NC(=O)[C@H](c1ccc(Br)cc1)[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249582803 553144906 /nfs/dbraw/zinc/14/49/06/553144906.db2.gz RVEHOEALPGDRDP-BPUTZDHNSA-N 1 2 395.322 2.745 10 0 GFAELO COc1c(Br)cccc1C[NH2+]C1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263457674 553188236 /nfs/dbraw/zinc/18/82/36/553188236.db2.gz BBJKYQGBKZOTET-UHFFFAOYSA-N 1 2 397.313 2.875 10 0 GFAELO COc1c(Br)cccc1C[NH2+]C1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263457674 553188237 /nfs/dbraw/zinc/18/82/37/553188237.db2.gz BBJKYQGBKZOTET-UHFFFAOYSA-N 1 2 397.313 2.875 10 0 GFAELO CNc1nc(N[C@H]2CCN(Cc3ccc(C)cc3)C2=O)[nH+]cc1Br ZINC000302682625 563428505 /nfs/dbraw/zinc/42/85/05/563428505.db2.gz AHLJPCIIUAQHHM-AWEZNQCLSA-N 1 2 390.285 2.802 10 0 GFAELO CNc1c(N)c[nH+]c2c(I)ccc(Br)c12 ZINC000584882547 565103117 /nfs/dbraw/zinc/10/31/17/565103117.db2.gz KFSOCQMTPVSAHD-UHFFFAOYSA-N 1 2 378.011 2.648 10 0 GFAELO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cn3nc(C)c(Br)c3C)C2)n1 ZINC000152732328 655061346 /nfs/dbraw/zinc/06/13/46/655061346.db2.gz ZVLMYWLGFDIAMZ-HNNXBMFYSA-N 1 2 381.322 2.840 10 0 GFAELO Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cn3nc(C)c(Br)c3C)C2)n1 ZINC000152732328 655061347 /nfs/dbraw/zinc/06/13/47/655061347.db2.gz ZVLMYWLGFDIAMZ-HNNXBMFYSA-N 1 2 381.322 2.840 10 0 GFAELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3coc(Br)c3)CC2)cn1 ZINC000109661759 655150220 /nfs/dbraw/zinc/15/02/20/655150220.db2.gz ADYXEGFGETXUDM-UHFFFAOYSA-N 1 2 381.274 2.607 10 0 GFAELO CCn1cc(C[N@H+]2CCCN(C(=O)c3coc(Br)c3)CC2)cn1 ZINC000109661759 655150223 /nfs/dbraw/zinc/15/02/23/655150223.db2.gz ADYXEGFGETXUDM-UHFFFAOYSA-N 1 2 381.274 2.607 10 0 GFAELO CC(C)Oc1cc(Br)cc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000174336546 655199831 /nfs/dbraw/zinc/19/98/31/655199831.db2.gz PCFJLUQXWASKKW-MRXNPFEDSA-N 1 2 397.313 2.783 10 0 GFAELO CC(C)Oc1cc(Br)cc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000174336531 655199836 /nfs/dbraw/zinc/19/98/36/655199836.db2.gz PCFJLUQXWASKKW-INIZCTEOSA-N 1 2 397.313 2.783 10 0 GFAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)C[C@H]1C ZINC000117521871 655265547 /nfs/dbraw/zinc/26/55/47/655265547.db2.gz CDZMZNOTLUFRDH-GFCCVEGCSA-N 1 2 388.295 2.501 10 0 GFAELO CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)C[C@H]1C ZINC000117521871 655265548 /nfs/dbraw/zinc/26/55/48/655265548.db2.gz CDZMZNOTLUFRDH-GFCCVEGCSA-N 1 2 388.295 2.501 10 0 GFAELO Cc1oc(-c2ccccc2NS(C)(=O)=O)nc1C[N@@H+](C)[C@@H]1CCSC1 ZINC000011912283 221136434 /nfs/dbraw/zinc/13/64/34/221136434.db2.gz ICPLKEIKEDYGCY-CYBMUJFWSA-N 1 2 381.523 2.959 10 0 GFAELO Cc1oc(-c2ccccc2NS(C)(=O)=O)nc1C[N@H+](C)[C@@H]1CCSC1 ZINC000011912283 221136436 /nfs/dbraw/zinc/13/64/36/221136436.db2.gz ICPLKEIKEDYGCY-CYBMUJFWSA-N 1 2 381.523 2.959 10 0 GFAELO O=C(c1ccccn1)N1CCC[C@@H](COc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000015004107 221326664 /nfs/dbraw/zinc/32/66/64/221326664.db2.gz RBCLJRYNYJYJCZ-HXUWFJFHSA-N 1 2 395.503 2.845 10 0 GFAELO CC(C)CC(=O)N[C@H](C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)C(C)C ZINC000057055131 222028115 /nfs/dbraw/zinc/02/81/15/222028115.db2.gz LYYHXNHNLGGAFZ-NRFANRHFSA-N 1 2 388.556 2.559 10 0 GFAELO O=C(C[N@@H+]1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1)NCc1ccccn1 ZINC000067852323 222164001 /nfs/dbraw/zinc/16/40/01/222164001.db2.gz AIJZRZPTDQTWJM-UHFFFAOYSA-N 1 2 381.867 2.800 10 0 GFAELO O=C(C[N@H+]1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1)NCc1ccccn1 ZINC000067852323 222164003 /nfs/dbraw/zinc/16/40/03/222164003.db2.gz AIJZRZPTDQTWJM-UHFFFAOYSA-N 1 2 381.867 2.800 10 0 GFAELO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000123128863 551303793 /nfs/dbraw/zinc/30/37/93/551303793.db2.gz NLHIAFFWBZXNQM-UKRRQHHQSA-N 1 2 399.304 2.700 10 0 GFAELO CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000153822698 551461007 /nfs/dbraw/zinc/46/10/07/551461007.db2.gz FLVMLEQSFMWJLZ-AWEZNQCLSA-N 1 2 383.286 2.711 10 0 GFAELO CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000153822698 551461010 /nfs/dbraw/zinc/46/10/10/551461010.db2.gz FLVMLEQSFMWJLZ-AWEZNQCLSA-N 1 2 383.286 2.711 10 0 GFAELO C[C@H](NC(=O)c1cc(S(C)(=O)=O)cs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000154613150 551479345 /nfs/dbraw/zinc/47/93/45/551479345.db2.gz SKHQATCSUDOFDH-LBPRGKRZSA-N 1 2 375.475 2.828 10 0 GFAELO Cc1nc(-c2cccs2)sc1C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000173826512 552093145 /nfs/dbraw/zinc/09/31/45/552093145.db2.gz FENLXOJJIILXMV-OCCSQVGLSA-N 1 2 377.535 2.973 10 0 GFAELO C[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000173839527 552093541 /nfs/dbraw/zinc/09/35/41/552093541.db2.gz VKRUVBDDXKABFF-PBHICJAKSA-N 1 2 393.325 2.660 10 0 GFAELO C[C@H]1CN(C(=O)C(C)(C)c2ccc(Br)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000173843391 552093551 /nfs/dbraw/zinc/09/35/51/552093551.db2.gz QUKLTNHKKSXYBQ-YOEHRIQHSA-N 1 2 395.341 2.906 10 0 GFAELO O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000173836320 552093753 /nfs/dbraw/zinc/09/37/53/552093753.db2.gz GQTUYRAKJBWXMQ-NSHDSACASA-N 1 2 391.827 2.991 10 0 GFAELO CCn1cc[nH+]c1C[S@](=O)Cc1cc2c(cc1Br)OCCO2 ZINC000176823569 552146693 /nfs/dbraw/zinc/14/66/93/552146693.db2.gz WQHAIQCRPJBZAQ-JOCHJYFZSA-N 1 2 385.283 2.886 10 0 GFAELO C[C@@H]([NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)c1nc(-c2cccs2)no1 ZINC000181565774 552261288 /nfs/dbraw/zinc/26/12/88/552261288.db2.gz MGJPODKIOYHMPQ-GHMZBOCLSA-N 1 2 378.479 2.857 10 0 GFAELO Cc1c(Br)scc1C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000185391884 552362017 /nfs/dbraw/zinc/36/20/17/552362017.db2.gz QUAVWAAHMPJUTJ-UHFFFAOYSA-N 1 2 397.342 2.901 10 0 GFAELO Cc1c(Br)scc1C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000185391884 552362019 /nfs/dbraw/zinc/36/20/19/552362019.db2.gz QUAVWAAHMPJUTJ-UHFFFAOYSA-N 1 2 397.342 2.901 10 0 GFAELO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186273393 552383400 /nfs/dbraw/zinc/38/34/00/552383400.db2.gz HNVDVSGAVPNAQI-LRDDRELGSA-N 1 2 398.326 2.741 10 0 GFAELO CC[C@H]1CN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC[N@@H+]1CCOC ZINC000189660794 552477049 /nfs/dbraw/zinc/47/70/49/552477049.db2.gz RGGNSLRXPBMVOX-LBPRGKRZSA-N 1 2 382.917 2.974 10 0 GFAELO CC[C@H]1CN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC[N@H+]1CCOC ZINC000189660794 552477050 /nfs/dbraw/zinc/47/70/50/552477050.db2.gz RGGNSLRXPBMVOX-LBPRGKRZSA-N 1 2 382.917 2.974 10 0 GFAELO Cn1c(C[S@](=O)Cc2cn3cc(Br)ccc3[nH+]2)nnc1C1CC1 ZINC000194268428 553015909 /nfs/dbraw/zinc/01/59/09/553015909.db2.gz IQUSXVXRWPGUPK-HSZRJFAPSA-N 1 2 394.298 2.552 10 0 GFAELO O=S(=O)(c1cc(F)c(Br)cc1F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245628107 553094284 /nfs/dbraw/zinc/09/42/84/553094284.db2.gz DGULTDPDYPOZNB-JTQLQIEISA-N 1 2 395.269 2.586 10 0 GFAELO O=S(=O)(c1cc(F)c(Br)cc1F)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000245628107 553094285 /nfs/dbraw/zinc/09/42/85/553094285.db2.gz DGULTDPDYPOZNB-JTQLQIEISA-N 1 2 395.269 2.586 10 0 GFAELO C[C@H]1CN(Cc2cc(Br)cc3c2OCC3)C[C@H]1[NH+]1CCOCC1 ZINC000248873783 553136024 /nfs/dbraw/zinc/13/60/24/553136024.db2.gz QWGRQYYYPIYDKE-SUMWQHHRSA-N 1 2 381.314 2.537 10 0 GFAELO Cc1c(Br)c2ccccc2n1CC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000108214836 655129498 /nfs/dbraw/zinc/12/94/98/655129498.db2.gz XOPUBPUVPDVYGH-CYBMUJFWSA-N 1 2 394.313 2.549 10 0 GFAELO COCCOc1cc(C(=O)N2CC[NH+](C)CC2)cc2oc(Br)cc21 ZINC000223648587 655422319 /nfs/dbraw/zinc/42/23/19/655422319.db2.gz MRUJPJBOHQZCFP-UHFFFAOYSA-N 1 2 397.269 2.608 10 0 GFAELO CNC(=O)c1ccc([C@H]2CCCCN2Cc2[nH+]ccn2CC(F)(F)F)n1C ZINC000328654175 212088784 /nfs/dbraw/zinc/08/87/84/212088784.db2.gz XHJGDFWLTUSUIX-CQSZACIVSA-N 1 2 383.418 2.871 10 0 GFAELO COc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)NC2CCCCCCC2)c1 ZINC000011663179 221120462 /nfs/dbraw/zinc/12/04/62/221120462.db2.gz JIZCOJWOXYUVCL-FQEVSTJZSA-N 1 2 387.524 2.615 10 0 GFAELO COc1cccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)NC2CCCCCCC2)c1 ZINC000011663179 221120465 /nfs/dbraw/zinc/12/04/65/221120465.db2.gz JIZCOJWOXYUVCL-FQEVSTJZSA-N 1 2 387.524 2.615 10 0 GFAELO CCOc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)NC2CCCCCC2)cc1 ZINC000012717195 221220881 /nfs/dbraw/zinc/22/08/81/221220881.db2.gz LUJYZPMMUPIBNN-FQEVSTJZSA-N 1 2 387.524 2.615 10 0 GFAELO CCOc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)NC2CCCCCC2)cc1 ZINC000012717195 221220883 /nfs/dbraw/zinc/22/08/83/221220883.db2.gz LUJYZPMMUPIBNN-FQEVSTJZSA-N 1 2 387.524 2.615 10 0 GFAELO O=C1NC[C@@H](C[N@H+]2CCOc3c(O)cc(-c4nc5ccccc5s4)cc3C2)O1 ZINC000067881487 222165065 /nfs/dbraw/zinc/16/50/65/222165065.db2.gz RKUNYPCPQOTUTO-AWEZNQCLSA-N 1 2 397.456 2.972 10 0 GFAELO O=C1NC[C@@H](C[N@@H+]2CCOc3c(O)cc(-c4nc5ccccc5s4)cc3C2)O1 ZINC000067881487 222165069 /nfs/dbraw/zinc/16/50/69/222165069.db2.gz RKUNYPCPQOTUTO-AWEZNQCLSA-N 1 2 397.456 2.972 10 0 GFAELO CCCNc1cc(N2CCC[C@H](CCC(=O)NC[C@@H]3CCCO3)C2)nc[nH+]1 ZINC000065244830 535193333 /nfs/dbraw/zinc/19/33/33/535193333.db2.gz VWSXKTFJCNEDFF-SJORKVTESA-N 1 2 375.517 2.590 10 0 GFAELO CCCNc1cc(N2CCC[C@H](CCC(=O)NC[C@@H]3CCCO3)C2)[nH+]cn1 ZINC000065244830 535193337 /nfs/dbraw/zinc/19/33/37/535193337.db2.gz VWSXKTFJCNEDFF-SJORKVTESA-N 1 2 375.517 2.590 10 0 GFAELO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)C1 ZINC000151304326 551410862 /nfs/dbraw/zinc/41/08/62/551410862.db2.gz IZENEGKUCNPUAH-NSHDSACASA-N 1 2 381.782 2.733 10 0 GFAELO C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)C1 ZINC000151304326 551410863 /nfs/dbraw/zinc/41/08/63/551410863.db2.gz IZENEGKUCNPUAH-NSHDSACASA-N 1 2 381.782 2.733 10 0 GFAELO CCOc1cc(Br)ccc1NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000154978000 551487569 /nfs/dbraw/zinc/48/75/69/551487569.db2.gz JEFRYKWTCDIZRS-LBPRGKRZSA-N 1 2 386.290 2.690 10 0 GFAELO Cn1nccc1C1CC[NH+]([C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000155394732 551498947 /nfs/dbraw/zinc/49/89/47/551498947.db2.gz MTVYHALUAKAXSF-INIZCTEOSA-N 1 2 377.286 2.589 10 0 GFAELO C[C@@H](NC(=O)c1csc(S(C)(=O)=O)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000164137349 551624158 /nfs/dbraw/zinc/62/41/58/551624158.db2.gz LRUSEGOVMAFSHE-GFCCVEGCSA-N 1 2 375.475 2.828 10 0 GFAELO CCCC(=O)N[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000170652062 551637131 /nfs/dbraw/zinc/63/71/31/551637131.db2.gz CZOASCZZNHNPJB-NSHDSACASA-N 1 2 397.273 2.973 10 0 GFAELO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000170652062 551637133 /nfs/dbraw/zinc/63/71/33/551637133.db2.gz CZOASCZZNHNPJB-NSHDSACASA-N 1 2 397.273 2.973 10 0 GFAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000172346282 551677072 /nfs/dbraw/zinc/67/70/72/551677072.db2.gz VDADXYLIWZTWQT-LBPRGKRZSA-N 1 2 388.295 2.501 10 0 GFAELO CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000172346282 551677073 /nfs/dbraw/zinc/67/70/73/551677073.db2.gz VDADXYLIWZTWQT-LBPRGKRZSA-N 1 2 388.295 2.501 10 0 GFAELO C[C@H]1CN(C(=O)c2cc(Br)ccc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000173823461 552092774 /nfs/dbraw/zinc/09/27/74/552092774.db2.gz ACGIKIKDBJCNJH-XHDPSFHLSA-N 1 2 387.705 2.895 10 0 GFAELO O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000173835441 552093250 /nfs/dbraw/zinc/09/32/50/552093250.db2.gz HHSWVUVQMAVIIP-LBPRGKRZSA-N 1 2 375.372 2.635 10 0 GFAELO Cc1nc(CN2CCC[N@H+](Cc3ccc(Br)c(F)c3)CC2)no1 ZINC000177711445 552157040 /nfs/dbraw/zinc/15/70/40/552157040.db2.gz ARLXBXJAZQMKLL-UHFFFAOYSA-N 1 2 383.265 2.988 10 0 GFAELO Cc1nc(CN2CCC[N@@H+](Cc3ccc(Br)c(F)c3)CC2)no1 ZINC000177711445 552157042 /nfs/dbraw/zinc/15/70/42/552157042.db2.gz ARLXBXJAZQMKLL-UHFFFAOYSA-N 1 2 383.265 2.988 10 0 GFAELO C[C@@H]([NH2+]CC(=O)NCCCN1CCCC1=O)c1c(Cl)ccc(F)c1Cl ZINC000179539991 552195952 /nfs/dbraw/zinc/19/59/52/552195952.db2.gz RMGUZZASKQPSEI-LLVKDONJSA-N 1 2 390.286 2.912 10 0 GFAELO C[C@H]([NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl)C(=O)N1CCC(C(N)=O)CC1 ZINC000179542642 552196142 /nfs/dbraw/zinc/19/61/42/552196142.db2.gz WGDAPQNENXWFQA-UWVGGRQHSA-N 1 2 390.286 2.896 10 0 GFAELO C[C@@H]([NH2+]CC(=O)N[C@@H](C)C(=O)N1CCCCC1)c1ccccc1Br ZINC000181572585 552261334 /nfs/dbraw/zinc/26/13/34/552261334.db2.gz ARBSYRMRPFLLDJ-KGLIPLIRSA-N 1 2 396.329 2.617 10 0 GFAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCCc1ccc(Br)s1 ZINC000184322505 552332912 /nfs/dbraw/zinc/33/29/12/552332912.db2.gz VAQOIJUPXBJNBW-CYBMUJFWSA-N 1 2 375.332 2.670 10 0 GFAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)NCCc1ccc(Br)s1 ZINC000184322505 552332914 /nfs/dbraw/zinc/33/29/14/552332914.db2.gz VAQOIJUPXBJNBW-CYBMUJFWSA-N 1 2 375.332 2.670 10 0 GFAELO CC[N@@H+]1CC[C@H](NC(=O)NCC(F)(F)CO)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185118296 552354878 /nfs/dbraw/zinc/35/48/78/552354878.db2.gz LZTBMPMYDYNHJV-KBPBESRZSA-N 1 2 379.810 2.541 10 0 GFAELO CC[N@H+]1CC[C@H](NC(=O)NCC(F)(F)CO)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185118296 552354880 /nfs/dbraw/zinc/35/48/80/552354880.db2.gz LZTBMPMYDYNHJV-KBPBESRZSA-N 1 2 379.810 2.541 10 0 GFAELO C[C@H]1CN(C(=O)c2cc(Br)c(F)cc2F)C[C@H]1[NH+]1CCOCC1 ZINC000192138884 552553034 /nfs/dbraw/zinc/55/30/34/552553034.db2.gz CNNBTVHPLLNCPU-ZUZCIYMTSA-N 1 2 389.240 2.520 10 0 GFAELO C[N@@H+](Cc1nccn1C(F)F)C[C@@H](O)COc1cccc(Br)c1 ZINC000193798646 553003700 /nfs/dbraw/zinc/00/37/00/553003700.db2.gz HBCAEBQYNLEQIF-GFCCVEGCSA-N 1 2 390.228 2.912 10 0 GFAELO C[N@H+](Cc1nccn1C(F)F)C[C@@H](O)COc1cccc(Br)c1 ZINC000193798646 553003703 /nfs/dbraw/zinc/00/37/03/553003703.db2.gz HBCAEBQYNLEQIF-GFCCVEGCSA-N 1 2 390.228 2.912 10 0 GFAELO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246836679 553114503 /nfs/dbraw/zinc/11/45/03/553114503.db2.gz DEZWYISSUBIRHI-GDZNZVCISA-N 1 2 387.307 2.940 10 0 GFAELO C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)s2)C[C@@H]1[NH+]1CCOCC1 ZINC000302531029 563426327 /nfs/dbraw/zinc/42/63/27/563426327.db2.gz QHCHSSSCIKAZNV-CJNGLKHVSA-N 1 2 378.929 2.939 10 0 GFAELO Cc1sc(Br)cc1S(=O)(=O)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000328636901 563462625 /nfs/dbraw/zinc/46/26/25/563462625.db2.gz VTZGYQQXSWNWEP-JTQLQIEISA-N 1 2 390.328 2.556 10 0 GFAELO C[C@H](NC(=O)N1CCC[C@@H](Nc2ccc(N(C)C)[nH+]c2)CC1)[C@H]1CCCO1 ZINC000583624080 570801990 /nfs/dbraw/zinc/80/19/90/570801990.db2.gz LXBJTFYGITUEOF-LZLYRXPVSA-N 1 2 375.517 2.691 10 0 GFAELO C[C@@H]1CN(C(=O)c2cc(Cl)cc(Br)c2)C[C@H]1[NH+]1CCOCC1 ZINC000132904327 654949038 /nfs/dbraw/zinc/94/90/38/654949038.db2.gz ZSXZIGSGQDAOBZ-IAQYHMDHSA-N 1 2 387.705 2.895 10 0 GFAELO C[C@@H](CNC(=O)NC1(c2cccc(Br)c2)CCC1)[NH+]1CCOCC1 ZINC000103304982 655070839 /nfs/dbraw/zinc/07/08/39/655070839.db2.gz ASUVAWOVDKIIOI-AWEZNQCLSA-N 1 2 396.329 2.848 10 0 GFAELO C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccccc1Br ZINC000173766343 655180636 /nfs/dbraw/zinc/18/06/36/655180636.db2.gz FUYYJLSNYKTJDX-ZIAGYGMSSA-N 1 2 382.302 2.626 10 0 GFAELO OC[C@H]1CCCN1c1cc(NC[C@@H](O)c2cc(Cl)cc(Cl)c2)[nH+]cn1 ZINC000118384563 655275810 /nfs/dbraw/zinc/27/58/10/655275810.db2.gz WDARCICWZMXNKC-HUUCEWRRSA-N 1 2 383.279 2.890 10 0 GFAELO OC[C@H]1CCCN1c1cc(NC[C@@H](O)c2cc(Cl)cc(Cl)c2)nc[nH+]1 ZINC000118384563 655275812 /nfs/dbraw/zinc/27/58/12/655275812.db2.gz WDARCICWZMXNKC-HUUCEWRRSA-N 1 2 383.279 2.890 10 0 GFAELO O=C(/C=C/c1ccc(I)o1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177754278 655287597 /nfs/dbraw/zinc/28/75/97/655287597.db2.gz JSIXXZMMWSAJIY-FVOPLDGLSA-N 1 2 397.216 2.785 10 0 GFAELO Cc1cc2c(cc1CN(CCC[NH+]1CCOCC1)Cc1cccnc1)OCO2 ZINC000013569063 221274560 /nfs/dbraw/zinc/27/45/60/221274560.db2.gz JYUDDPFNEHOCOZ-UHFFFAOYSA-N 1 2 383.492 2.843 10 0 GFAELO Nc1c(Nc2ccc(Cl)cn2)ncnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000040779555 132405795 /nfs/dbraw/zinc/40/57/95/132405795.db2.gz OAOBZRSUVYQEQN-UHFFFAOYSA-N 1 2 382.859 2.572 10 0 GFAELO COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(C)cc2)C[N@@H+]1CCCc1ccccc1 ZINC000055326875 222020569 /nfs/dbraw/zinc/02/05/69/222020569.db2.gz NMJYNCLQOOCGBQ-RTWAWAEBSA-N 1 2 380.488 2.974 10 0 GFAELO COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(C)cc2)C[N@H+]1CCCc1ccccc1 ZINC000055326875 222020572 /nfs/dbraw/zinc/02/05/72/222020572.db2.gz NMJYNCLQOOCGBQ-RTWAWAEBSA-N 1 2 380.488 2.974 10 0 GFAELO CC(C)OC(=O)N[C@H](Cc1cn(C(C)C)c[nH+]1)C(=O)NCCc1ccccc1 ZINC000063772350 222067408 /nfs/dbraw/zinc/06/74/08/222067408.db2.gz QGZMZGFOWLGKHZ-LJQANCHMSA-N 1 2 386.496 2.869 10 0 GFAELO CCNc1cc(N2CCC[C@H](CCC(=O)N[C@@H](C)c3cn(C)nc3C)C2)nc[nH+]1 ZINC000065245112 535521341 /nfs/dbraw/zinc/52/13/41/535521341.db2.gz LSZHHAQFBOHKNB-DOTOQJQBSA-N 1 2 399.543 2.824 10 0 GFAELO CCNc1cc(N2CCC[C@H](CCC(=O)N[C@@H](C)c3cn(C)nc3C)C2)[nH+]cn1 ZINC000065245112 535521346 /nfs/dbraw/zinc/52/13/46/535521346.db2.gz LSZHHAQFBOHKNB-DOTOQJQBSA-N 1 2 399.543 2.824 10 0 GFAELO C[C@H](CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000154036179 551465931 /nfs/dbraw/zinc/46/59/31/551465931.db2.gz PAZUOZYFYITYAO-RHSMWYFYSA-N 1 2 381.314 2.876 10 0 GFAELO COc1c(C[NH+]2CCN(Cc3ccc(Br)s3)CC2)c(C)nn1C ZINC000162762908 551612709 /nfs/dbraw/zinc/61/27/09/551612709.db2.gz ALOCAPLXXLGTNO-UHFFFAOYSA-N 1 2 399.358 2.879 10 0 GFAELO O=C(C[N@@H+]1CCC[C@@H](n2cncn2)C1)Nc1ccc(Br)cc1Cl ZINC000171701598 551661559 /nfs/dbraw/zinc/66/15/59/551661559.db2.gz DFKPXVSJVHMMRT-GFCCVEGCSA-N 1 2 398.692 2.970 10 0 GFAELO O=C(C[N@H+]1CCC[C@@H](n2cncn2)C1)Nc1ccc(Br)cc1Cl ZINC000171701598 551661561 /nfs/dbraw/zinc/66/15/61/551661561.db2.gz DFKPXVSJVHMMRT-GFCCVEGCSA-N 1 2 398.692 2.970 10 0 GFAELO O=C(N1CC[C@@H]([NH+]2CCOCC2)C1)C1(c2ccc(Br)cc2)CCC1 ZINC000172760615 551686323 /nfs/dbraw/zinc/68/63/23/551686323.db2.gz SXKLHPCXLAUBKZ-QGZVFWFLSA-N 1 2 393.325 2.804 10 0 GFAELO O=C(CCCc1ccc(Br)s1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172761046 551686534 /nfs/dbraw/zinc/68/65/34/551686534.db2.gz DGLRRNOHLKLNBA-CYBMUJFWSA-N 1 2 387.343 2.766 10 0 GFAELO C[C@@H](NC(=O)c1c[nH]c(=O)c(Br)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173953422 552095876 /nfs/dbraw/zinc/09/58/76/552095876.db2.gz CTOVSBUOZLOEHE-LLVKDONJSA-N 1 2 387.237 2.814 10 0 GFAELO C[C@@H]([NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl)C(=O)N1CCC(C(N)=O)CC1 ZINC000179542656 552196058 /nfs/dbraw/zinc/19/60/58/552196058.db2.gz WGDAPQNENXWFQA-VHSXEESVSA-N 1 2 390.286 2.896 10 0 GFAELO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccccc1Br)C(=O)N1CCCCC1 ZINC000181572600 552261240 /nfs/dbraw/zinc/26/12/40/552261240.db2.gz ARBSYRMRPFLLDJ-UONOGXRCSA-N 1 2 396.329 2.617 10 0 GFAELO O=C(NCC[NH+]1CCOCC1)[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000184780728 552344209 /nfs/dbraw/zinc/34/42/09/552344209.db2.gz KYUJWCFPQHAUNK-WBVHZDCISA-N 1 2 387.307 2.910 10 0 GFAELO Cc1sc2[nH]c(C[N@H+]3C[C@@H](c4ccsc4)[C@H](CO)C3)nc(=O)c2c1C ZINC000188079960 552434144 /nfs/dbraw/zinc/43/41/44/552434144.db2.gz CLPUWPJDGNSSAO-KBPBESRZSA-N 1 2 375.519 2.871 10 0 GFAELO Cc1sc2[nH]c(C[N@@H+]3C[C@@H](c4ccsc4)[C@H](CO)C3)nc(=O)c2c1C ZINC000188079960 552434145 /nfs/dbraw/zinc/43/41/45/552434145.db2.gz CLPUWPJDGNSSAO-KBPBESRZSA-N 1 2 375.519 2.871 10 0 GFAELO C[N@@H+]1CCO[C@H](CNC(=O)N(Cc2cccc(Br)c2)CC2CC2)C1 ZINC000190546777 552500974 /nfs/dbraw/zinc/50/09/74/552500974.db2.gz JFADNZNXMPGLLO-QGZVFWFLSA-N 1 2 396.329 2.701 10 0 GFAELO C[N@H+]1CCO[C@H](CNC(=O)N(Cc2cccc(Br)c2)CC2CC2)C1 ZINC000190546777 552500976 /nfs/dbraw/zinc/50/09/76/552500976.db2.gz JFADNZNXMPGLLO-QGZVFWFLSA-N 1 2 396.329 2.701 10 0 GFAELO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246373723 553107090 /nfs/dbraw/zinc/10/70/90/553107090.db2.gz HOUQRBORTXGFQU-IIYDPXPESA-N 1 2 386.323 2.973 10 0 GFAELO C[C@H]1C[N@@H+]([C@H](CNC(=O)NCCc2cscn2)c2cccs2)CCO1 ZINC000247548252 553124024 /nfs/dbraw/zinc/12/40/24/553124024.db2.gz QQTRNPQLKSQYHC-DZGCQCFKSA-N 1 2 380.539 2.508 10 0 GFAELO C[C@H]1C[N@H+]([C@H](CNC(=O)NCCc2cscn2)c2cccs2)CCO1 ZINC000247548252 553124027 /nfs/dbraw/zinc/12/40/27/553124027.db2.gz QQTRNPQLKSQYHC-DZGCQCFKSA-N 1 2 380.539 2.508 10 0 GFAELO COc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)CC(=O)[O-])CC2)c(Br)c1 ZINC000263492320 553188559 /nfs/dbraw/zinc/18/85/59/553188559.db2.gz IVNRAFMGNJOOAN-CQSZACIVSA-N 1 2 385.302 2.829 10 0 GFAELO COc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)CC(=O)[O-])CC2)c(Br)c1 ZINC000263492320 553188561 /nfs/dbraw/zinc/18/85/61/553188561.db2.gz IVNRAFMGNJOOAN-CQSZACIVSA-N 1 2 385.302 2.829 10 0 GFAELO COc1ccc(C[NH+]2CCC[C@@H]([N@H+](C)CC(=O)[O-])CC2)c(Br)c1 ZINC000263492320 553188564 /nfs/dbraw/zinc/18/85/64/553188564.db2.gz IVNRAFMGNJOOAN-CQSZACIVSA-N 1 2 385.302 2.829 10 0 GFAELO COc1ccc(C[NH+]2CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC2)c(Br)c1 ZINC000263492320 553188565 /nfs/dbraw/zinc/18/85/65/553188565.db2.gz IVNRAFMGNJOOAN-CQSZACIVSA-N 1 2 385.302 2.829 10 0 GFAELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C[C@H]1CC ZINC000158926520 655110429 /nfs/dbraw/zinc/11/04/29/655110429.db2.gz QUQAECBMPZIKKC-GFCCVEGCSA-N 1 2 396.340 2.510 10 0 GFAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C[C@H]1CC ZINC000158926520 655110433 /nfs/dbraw/zinc/11/04/33/655110433.db2.gz QUQAECBMPZIKKC-GFCCVEGCSA-N 1 2 396.340 2.510 10 0 GFAELO COc1ccccc1-c1cc(-c2ccccc2)c(=O)n(CC[NH+]2CCOCC2)n1 ZINC000031571536 212159888 /nfs/dbraw/zinc/15/98/88/212159888.db2.gz QDSJCVRNFNQPAX-UHFFFAOYSA-N 1 2 391.471 2.918 10 0 GFAELO CCOc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)N(C)C2CCCCC2)cc1 ZINC000012090193 221149645 /nfs/dbraw/zinc/14/96/45/221149645.db2.gz PJWDILJELKDKID-HXUWFJFHSA-N 1 2 387.524 2.567 10 0 GFAELO CCOc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)N(C)C2CCCCC2)cc1 ZINC000012090193 221149648 /nfs/dbraw/zinc/14/96/48/221149648.db2.gz PJWDILJELKDKID-HXUWFJFHSA-N 1 2 387.524 2.567 10 0 GFAELO CCOC(=O)c1nn(CC)c2c1CN(C(=O)c1ccccc1-c1[nH]cc[nH+]1)CC2 ZINC000014745291 221315768 /nfs/dbraw/zinc/31/57/68/221315768.db2.gz ICEWDSZFLPZYRW-UHFFFAOYSA-N 1 2 393.447 2.668 10 0 GFAELO OC[C@H]1CCCN1c1cc(NCCOc2ccc(Br)cc2)[nH+]cn1 ZINC000110333449 551204264 /nfs/dbraw/zinc/20/42/64/551204264.db2.gz SYNNWXKJHWRTSP-CQSZACIVSA-N 1 2 393.285 2.691 10 0 GFAELO OC[C@H]1CCCN1c1cc(NCCOc2ccc(Br)cc2)nc[nH+]1 ZINC000110333449 551204265 /nfs/dbraw/zinc/20/42/65/551204265.db2.gz SYNNWXKJHWRTSP-CQSZACIVSA-N 1 2 393.285 2.691 10 0 GFAELO C[C@@H](CNC(=O)Nc1nnc(-c2cccc(Cl)c2)s1)[NH+]1CCOCC1 ZINC000129599665 551358319 /nfs/dbraw/zinc/35/83/19/551358319.db2.gz FXHOGZKDYXMMQW-NSHDSACASA-N 1 2 381.889 2.701 10 0 GFAELO Cc1sc(Br)cc1S(=O)(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000155342682 551498169 /nfs/dbraw/zinc/49/81/69/551498169.db2.gz HUNAIHQSYPJZKN-NSHDSACASA-N 1 2 390.328 2.869 10 0 GFAELO C[C@H](NC(=O)c1csc(S(C)(=O)=O)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000164137259 551623902 /nfs/dbraw/zinc/62/39/02/551623902.db2.gz LRUSEGOVMAFSHE-LBPRGKRZSA-N 1 2 375.475 2.828 10 0 GFAELO C[C@@H]1CN(C(=O)CSc2cccc(Br)c2)C[C@H]1[NH+]1CCOCC1 ZINC000164091984 551624192 /nfs/dbraw/zinc/62/41/92/551624192.db2.gz DXCNRQRIQQHVDU-CZUORRHYSA-N 1 2 399.354 2.720 10 0 GFAELO Cc1nc(C2([NH2+]C[C@@H](O)COc3cccc(Br)c3)CCCC2)no1 ZINC000170645454 551636752 /nfs/dbraw/zinc/63/67/52/551636752.db2.gz DHGVLLBOCCYPCA-CQSZACIVSA-N 1 2 396.285 2.939 10 0 GFAELO Cc1nc(C[C@H]2CCC[N@@H+]([C@H](C(N)=O)c3ccc(Br)cc3)C2)no1 ZINC000170914563 551642718 /nfs/dbraw/zinc/64/27/18/551642718.db2.gz UAVGPVNANRRQEJ-WBMJQRKESA-N 1 2 393.285 2.622 10 0 GFAELO Cc1nc(C[C@H]2CCC[N@H+]([C@H](C(N)=O)c3ccc(Br)cc3)C2)no1 ZINC000170914563 551642721 /nfs/dbraw/zinc/64/27/21/551642721.db2.gz UAVGPVNANRRQEJ-WBMJQRKESA-N 1 2 393.285 2.622 10 0 GFAELO CC(C)n1cc[nH+]c1CS(=O)(=O)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000171674242 551660807 /nfs/dbraw/zinc/66/08/07/551660807.db2.gz QPDRGFBAQNSGJC-UHFFFAOYSA-N 1 2 389.930 2.752 10 0 GFAELO O=C(N1CC[C@H]([NH+]2CCOCC2)C1)C1(c2ccc(Br)cc2)CCC1 ZINC000172760609 551686651 /nfs/dbraw/zinc/68/66/51/551686651.db2.gz SXKLHPCXLAUBKZ-KRWDZBQOSA-N 1 2 393.325 2.804 10 0 GFAELO C[C@@H]1CN(C(=O)c2cc3cc(Br)ccc3[nH]2)C[C@H]1[NH+]1CCOCC1 ZINC000173395706 552085302 /nfs/dbraw/zinc/08/53/02/552085302.db2.gz BNXPOUUEOBDTPP-SJKOYZFVSA-N 1 2 392.297 2.723 10 0 GFAELO Cc1nc(-c2cccs2)sc1C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173826477 552092992 /nfs/dbraw/zinc/09/29/92/552092992.db2.gz FENLXOJJIILXMV-GXTWGEPZSA-N 1 2 377.535 2.973 10 0 GFAELO CC(C)n1nnnc1CN1CC[NH+]([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000173855098 552094889 /nfs/dbraw/zinc/09/48/89/552094889.db2.gz LNKNLZKFBSRKHY-AWEZNQCLSA-N 1 2 393.333 2.895 10 0 GFAELO C[C@H]([NH2+]CC(=O)NCCCN1CCCC1=O)c1c(Cl)ccc(F)c1Cl ZINC000179539979 552195462 /nfs/dbraw/zinc/19/54/62/552195462.db2.gz RMGUZZASKQPSEI-NSHDSACASA-N 1 2 390.286 2.912 10 0 GFAELO O=C(Nc1cc(Br)c(F)cc1F)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000189054010 552461975 /nfs/dbraw/zinc/46/19/75/552461975.db2.gz SUKASOVQNVUGFN-SNVBAGLBSA-N 1 2 390.228 2.666 10 0 GFAELO CC[C@H](NC(=O)CS(=O)(=O)Cc1[nH+]ccn1CC)c1ccc(Cl)cc1 ZINC000194421463 553020211 /nfs/dbraw/zinc/02/02/11/553020211.db2.gz PMLCMMPSSMMJEA-HNNXBMFYSA-N 1 2 383.901 2.739 10 0 GFAELO NC(=O)[C@@H](c1ccc(Br)cc1)N1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000245928676 553099645 /nfs/dbraw/zinc/09/96/45/553099645.db2.gz XRXYUUSAIPETOS-CXAGYDPISA-N 1 2 389.297 2.805 10 0 GFAELO C[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)c1ccccc1Br ZINC000246470158 553107909 /nfs/dbraw/zinc/10/79/09/553107909.db2.gz QQQUCEVWADKKPH-IHRRRGAJSA-N 1 2 384.318 2.919 10 0 GFAELO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246573358 553109840 /nfs/dbraw/zinc/10/98/40/553109840.db2.gz VOLZPUMEKDPVBJ-IIYDPXPESA-N 1 2 386.323 2.973 10 0 GFAELO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246573358 553109843 /nfs/dbraw/zinc/10/98/43/553109843.db2.gz VOLZPUMEKDPVBJ-IIYDPXPESA-N 1 2 386.323 2.973 10 0 GFAELO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246573358 553109845 /nfs/dbraw/zinc/10/98/45/553109845.db2.gz VOLZPUMEKDPVBJ-IIYDPXPESA-N 1 2 386.323 2.973 10 0 GFAELO CC[C@@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)Cc1cccc(Br)c1 ZINC000132171552 654927622 /nfs/dbraw/zinc/92/76/22/654927622.db2.gz FNAHBAXNILXGPB-RHSMWYFYSA-N 1 2 398.345 2.648 10 0 GFAELO CC[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)Cc1cccc(Br)c1 ZINC000132171552 654927623 /nfs/dbraw/zinc/92/76/23/654927623.db2.gz FNAHBAXNILXGPB-RHSMWYFYSA-N 1 2 398.345 2.648 10 0 GFAELO CC[C@@H](Cc1ccccc1Br)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000134283964 654989140 /nfs/dbraw/zinc/98/91/40/654989140.db2.gz UTMYAYRPYSYBNJ-RDJZCZTQSA-N 1 2 395.341 2.951 10 0 GFAELO C[C@@H]1CN(C(=O)c2cc3cc(Br)ccc3o2)C[C@H]1[NH+]1CCOCC1 ZINC000173406420 655170340 /nfs/dbraw/zinc/17/03/40/655170340.db2.gz WRHAUSXOTLAABF-IUODEOHRSA-N 1 2 393.281 2.988 10 0 GFAELO CNc1cc(N2CCC[C@H]2CNC(=O)NCc2ccc(Cl)s2)nc[nH+]1 ZINC000174002126 655189760 /nfs/dbraw/zinc/18/97/60/655189760.db2.gz BCFARELYGPZCNG-NSHDSACASA-N 1 2 380.905 2.701 10 0 GFAELO CNc1cc(N2CCC[C@H]2CNC(=O)NCc2ccc(Cl)s2)[nH+]cn1 ZINC000174002126 655189762 /nfs/dbraw/zinc/18/97/62/655189762.db2.gz BCFARELYGPZCNG-NSHDSACASA-N 1 2 380.905 2.701 10 0 GFAELO O=S(=O)(CC[NH+]1CCC(c2cc[nH]n2)CC1)c1cccc(Br)c1 ZINC000175619702 655224022 /nfs/dbraw/zinc/22/40/22/655224022.db2.gz RAGHAJCOSBLQFF-UHFFFAOYSA-N 1 2 398.326 2.826 10 0 GFAELO CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2c(Cl)ccc(F)c2Cl)CC1 ZINC000120720549 655343195 /nfs/dbraw/zinc/34/31/95/655343195.db2.gz SHJNYOAZLPUTAT-MNOVXSKESA-N 1 2 390.286 2.862 10 0 GFAELO